----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:49:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.600661119573302 0.000000000000000 0.000000000000000 b 0.000000000000000 7.166631090000002 0.000000000000000 c -3.509365921263468 0.000000000000000 7.235404712216946 Atomic positions (fractional): *1 Hg 0.98768014821642 0.37818388218033 0.23618028303493 200.590 2 Hg 0.01231985178358 0.87818388218033 0.26381971696507 200.590 3 Hg 0.01231985178358 0.62181611781967 0.76381971696507 200.590 4 Hg 0.98768014821642 0.12181611781967 0.73618028303493 200.590 *5 H 0.28431819641616 0.14768105289702 0.43907944641537 1.008 6 H 0.71568180358384 0.64768105289702 0.06092055358462 1.008 7 H 0.71568180358384 0.85231894710298 0.56092055358463 1.008 8 H 0.28431819641616 0.35231894710298 0.93907944641537 1.008 *9 N 0.58265968890498 0.16698824139737 0.92223294582602 14.007 10 N 0.41734031109502 0.66698824139737 0.57776705417398 14.007 11 N 0.41734031109502 0.83301175860263 0.07776705417398 14.007 12 N 0.58265968890498 0.33301175860263 0.42223294582602 14.007 *13 O 0.78726126975459 0.12411381931301 0.96688305797182 15.999 14 O 0.21273873024541 0.62411381931301 0.53311694202818 15.999 15 O 0.21273873024541 0.87588618068699 0.03311694202818 15.999 16 O 0.78726126975459 0.37588618068699 0.46688305797182 15.999 *17 O 0.54469806249499 0.30347164473998 0.00583801637915 15.999 18 O 0.45530193750501 0.80347164473998 0.49416198362085 15.999 19 O 0.45530193750501 0.69652835526002 0.99416198362084 15.999 20 O 0.54469806249499 0.19652835526002 0.50583801637916 15.999 *21 O 0.42660237647269 0.07644714387192 0.80198009247797 15.999 22 O 0.57339762352730 0.57644714387192 0.69801990752203 15.999 23 O 0.57339762352730 0.92355285612808 0.19801990752203 15.999 24 O 0.42660237647269 0.42355285612807 0.30198009247797 15.999 *25 O 0.88618668596113 0.63581183488996 0.10737871471235 15.999 26 O 0.11381331403887 0.13581183488996 0.39262128528765 15.999 27 O 0.11381331403887 0.36418816511004 0.89262128528766 15.999 28 O 0.88618668596113 0.86418816511004 0.60737871471234 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.600661119573302 0.000000000000000 0.000000000000000 b 0.000000000000000 7.166631090000002 0.000000000000000 c -3.509365921263468 0.000000000000000 7.235404712216946 Atomic positions (fractional): *1 Hg 0.98768014821642 0.37818388218033 0.23618028303493 200.590 > 1 2 Hg 0.01231985178358 0.87818388218033 0.26381971696507 200.590 > 2 3 Hg 0.01231985178358 0.62181611781967 0.76381971696507 200.590 > 3 4 Hg 0.98768014821642 0.12181611781967 0.73618028303493 200.590 > 4 *5 H 0.28431819641616 0.14768105289702 0.43907944641537 1.008 > 5 6 H 0.71568180358384 0.64768105289702 0.06092055358462 1.008 > 6 7 H 0.71568180358384 0.85231894710298 0.56092055358463 1.008 > 7 8 H 0.28431819641616 0.35231894710298 0.93907944641537 1.008 > 8 *9 N 0.58265968890498 0.16698824139737 0.92223294582602 14.007 > 9 10 N 0.41734031109502 0.66698824139737 0.57776705417398 14.007 > 10 11 N 0.41734031109502 0.83301175860263 0.07776705417398 14.007 > 11 12 N 0.58265968890498 0.33301175860263 0.42223294582602 14.007 > 12 *13 O 0.78726126975459 0.12411381931301 0.96688305797182 15.999 > 13 14 O 0.21273873024541 0.62411381931301 0.53311694202818 15.999 > 14 15 O 0.21273873024541 0.87588618068699 0.03311694202818 15.999 > 15 16 O 0.78726126975459 0.37588618068699 0.46688305797182 15.999 > 16 *17 O 0.54469806249499 0.30347164473998 0.00583801637915 15.999 > 17 18 O 0.45530193750501 0.80347164473998 0.49416198362085 15.999 > 18 19 O 0.45530193750501 0.69652835526002 0.99416198362084 15.999 > 19 20 O 0.54469806249499 0.19652835526002 0.50583801637916 15.999 > 20 *21 O 0.42660237647269 0.07644714387192 0.80198009247797 15.999 > 21 22 O 0.57339762352730 0.57644714387192 0.69801990752203 15.999 > 22 23 O 0.57339762352730 0.92355285612808 0.19801990752203 15.999 > 23 24 O 0.42660237647269 0.42355285612807 0.30198009247797 15.999 > 24 *25 O 0.88618668596113 0.63581183488996 0.10737871471235 15.999 > 25 26 O 0.11381331403887 0.13581183488996 0.39262128528765 15.999 > 26 27 O 0.11381331403887 0.36418816511004 0.89262128528766 15.999 > 27 28 O 0.88618668596113 0.86418816511004 0.60737871471234 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.201322239146604 0.000000000000000 0.000000000000000 b 0.000000000000000 14.333262180000004 0.000000000000000 c -3.509365921263468 0.000000000000000 7.235404712216946 Atomic positions (fractional): *1 Hg 0.49384007410821 0.18909194109016 0.23618028303493 200.590 > 1 2 Hg 0.99384007410821 0.18909194109016 0.23618028303493 200.590 > 1 3 Hg 0.49384007410821 0.68909194109016 0.23618028303493 200.590 > 1 4 Hg 0.99384007410821 0.68909194109016 0.23618028303493 200.590 > 1 5 Hg 0.00615992589179 0.43909194109016 0.26381971696507 200.590 > 2 6 Hg 0.50615992589179 0.43909194109016 0.26381971696507 200.590 > 2 7 Hg 0.00615992589179 0.93909194109016 0.26381971696507 200.590 > 2 8 Hg 0.50615992589179 0.93909194109016 0.26381971696507 200.590 > 2 9 Hg 0.00615992589179 0.31090805890984 0.76381971696507 200.590 > 3 10 Hg 0.50615992589179 0.31090805890984 0.76381971696507 200.590 > 3 11 Hg 0.00615992589179 0.81090805890984 0.76381971696507 200.590 > 3 12 Hg 0.50615992589179 0.81090805890984 0.76381971696507 200.590 > 3 13 Hg 0.49384007410821 0.06090805890984 0.73618028303493 200.590 > 4 14 Hg 0.99384007410821 0.06090805890984 0.73618028303493 200.590 > 4 15 Hg 0.49384007410821 0.56090805890984 0.73618028303493 200.590 > 4 16 Hg 0.99384007410821 0.56090805890984 0.73618028303493 200.590 > 4 *17 H 0.14215909820808 0.07384052644851 0.43907944641537 1.008 > 5 18 H 0.64215909820808 0.07384052644851 0.43907944641537 1.008 > 5 19 H 0.14215909820808 0.57384052644851 0.43907944641537 1.008 > 5 20 H 0.64215909820808 0.57384052644851 0.43907944641537 1.008 > 5 21 H 0.35784090179192 0.32384052644851 0.06092055358462 1.008 > 6 22 H 0.85784090179192 0.32384052644851 0.06092055358462 1.008 > 6 23 H 0.35784090179192 0.82384052644851 0.06092055358462 1.008 > 6 24 H 0.85784090179192 0.82384052644851 0.06092055358462 1.008 > 6 25 H 0.35784090179192 0.42615947355149 0.56092055358463 1.008 > 7 26 H 0.85784090179192 0.42615947355149 0.56092055358463 1.008 > 7 27 H 0.35784090179192 0.92615947355149 0.56092055358463 1.008 > 7 28 H 0.85784090179192 0.92615947355149 0.56092055358463 1.008 > 7 29 H 0.14215909820808 0.17615947355149 0.93907944641537 1.008 > 8 30 H 0.64215909820808 0.17615947355149 0.93907944641537 1.008 > 8 31 H 0.14215909820808 0.67615947355149 0.93907944641537 1.008 > 8 32 H 0.64215909820808 0.67615947355149 0.93907944641537 1.008 > 8 *33 N 0.29132984445249 0.08349412069869 0.92223294582602 14.007 > 9 34 N 0.79132984445249 0.08349412069869 0.92223294582602 14.007 > 9 35 N 0.29132984445249 0.58349412069869 0.92223294582602 14.007 > 9 36 N 0.79132984445249 0.58349412069869 0.92223294582602 14.007 > 9 37 N 0.20867015554751 0.33349412069869 0.57776705417398 14.007 > 10 38 N 0.70867015554751 0.33349412069869 0.57776705417398 14.007 > 10 39 N 0.20867015554751 0.83349412069869 0.57776705417398 14.007 > 10 40 N 0.70867015554751 0.83349412069869 0.57776705417398 14.007 > 10 41 N 0.20867015554751 0.41650587930131 0.07776705417398 14.007 > 11 42 N 0.70867015554751 0.41650587930131 0.07776705417398 14.007 > 11 43 N 0.20867015554751 0.91650587930131 0.07776705417398 14.007 > 11 44 N 0.70867015554751 0.91650587930131 0.07776705417398 14.007 > 11 45 N 0.29132984445249 0.16650587930131 0.42223294582602 14.007 > 12 46 N 0.79132984445249 0.16650587930131 0.42223294582602 14.007 > 12 47 N 0.29132984445249 0.66650587930131 0.42223294582602 14.007 > 12 48 N 0.79132984445249 0.66650587930131 0.42223294582602 14.007 > 12 *49 O 0.39363063487729 0.06205690965650 0.96688305797182 15.999 > 13 50 O 0.89363063487729 0.06205690965650 0.96688305797182 15.999 > 13 51 O 0.39363063487729 0.56205690965651 0.96688305797182 15.999 > 13 52 O 0.89363063487729 0.56205690965651 0.96688305797182 15.999 > 13 53 O 0.10636936512271 0.31205690965651 0.53311694202818 15.999 > 14 54 O 0.60636936512271 0.31205690965651 0.53311694202818 15.999 > 14 55 O 0.10636936512271 0.81205690965651 0.53311694202818 15.999 > 14 56 O 0.60636936512271 0.81205690965651 0.53311694202818 15.999 > 14 57 O 0.10636936512271 0.43794309034349 0.03311694202818 15.999 > 15 58 O 0.60636936512271 0.43794309034349 0.03311694202818 15.999 > 15 59 O 0.10636936512271 0.93794309034349 0.03311694202818 15.999 > 15 60 O 0.60636936512271 0.93794309034349 0.03311694202818 15.999 > 15 61 O 0.39363063487729 0.18794309034349 0.46688305797182 15.999 > 16 62 O 0.89363063487729 0.18794309034349 0.46688305797182 15.999 > 16 63 O 0.39363063487729 0.68794309034349 0.46688305797182 15.999 > 16 64 O 0.89363063487729 0.68794309034349 0.46688305797182 15.999 > 16 *65 O 0.27234903124750 0.15173582236999 0.00583801637915 15.999 > 17 66 O 0.77234903124750 0.15173582236999 0.00583801637915 15.999 > 17 67 O 0.27234903124750 0.65173582236999 0.00583801637915 15.999 > 17 68 O 0.77234903124750 0.65173582236999 0.00583801637915 15.999 > 17 69 O 0.22765096875250 0.40173582236999 0.49416198362085 15.999 > 18 70 O 0.72765096875250 0.40173582236999 0.49416198362085 15.999 > 18 71 O 0.22765096875250 0.90173582236999 0.49416198362085 15.999 > 18 72 O 0.72765096875250 0.90173582236999 0.49416198362085 15.999 > 18 73 O 0.22765096875250 0.34826417763001 0.99416198362084 15.999 > 19 74 O 0.72765096875250 0.34826417763001 0.99416198362084 15.999 > 19 75 O 0.22765096875250 0.84826417763001 0.99416198362084 15.999 > 19 76 O 0.72765096875250 0.84826417763001 0.99416198362084 15.999 > 19 77 O 0.27234903124750 0.09826417763001 0.50583801637916 15.999 > 20 78 O 0.77234903124750 0.09826417763001 0.50583801637916 15.999 > 20 79 O 0.27234903124750 0.59826417763001 0.50583801637916 15.999 > 20 80 O 0.77234903124750 0.59826417763001 0.50583801637916 15.999 > 20 *81 O 0.21330118823635 0.03822357193596 0.80198009247797 15.999 > 21 82 O 0.71330118823635 0.03822357193596 0.80198009247797 15.999 > 21 83 O 0.21330118823635 0.53822357193596 0.80198009247797 15.999 > 21 84 O 0.71330118823635 0.53822357193596 0.80198009247797 15.999 > 21 85 O 0.28669881176365 0.28822357193596 0.69801990752203 15.999 > 22 86 O 0.78669881176365 0.28822357193596 0.69801990752203 15.999 > 22 87 O 0.28669881176365 0.78822357193596 0.69801990752203 15.999 > 22 88 O 0.78669881176365 0.78822357193596 0.69801990752203 15.999 > 22 89 O 0.28669881176365 0.46177642806404 0.19801990752203 15.999 > 23 90 O 0.78669881176365 0.46177642806404 0.19801990752203 15.999 > 23 91 O 0.28669881176365 0.96177642806404 0.19801990752203 15.999 > 23 92 O 0.78669881176365 0.96177642806404 0.19801990752203 15.999 > 23 93 O 0.21330118823635 0.21177642806404 0.30198009247797 15.999 > 24 94 O 0.71330118823635 0.21177642806404 0.30198009247797 15.999 > 24 95 O 0.21330118823635 0.71177642806404 0.30198009247797 15.999 > 24 96 O 0.71330118823635 0.71177642806404 0.30198009247797 15.999 > 24 *97 O 0.44309334298056 0.31790591744498 0.10737871471235 15.999 > 25 98 O 0.94309334298056 0.31790591744498 0.10737871471235 15.999 > 25 99 O 0.44309334298056 0.81790591744498 0.10737871471235 15.999 > 25 100 O 0.94309334298056 0.81790591744498 0.10737871471235 15.999 > 25 101 O 0.05690665701944 0.06790591744498 0.39262128528765 15.999 > 26 102 O 0.55690665701944 0.06790591744498 0.39262128528765 15.999 > 26 103 O 0.05690665701944 0.56790591744498 0.39262128528765 15.999 > 26 104 O 0.55690665701944 0.56790591744498 0.39262128528765 15.999 > 26 105 O 0.05690665701944 0.18209408255502 0.89262128528766 15.999 > 27 106 O 0.55690665701944 0.18209408255502 0.89262128528766 15.999 > 27 107 O 0.05690665701944 0.68209408255502 0.89262128528766 15.999 > 27 108 O 0.55690665701944 0.68209408255502 0.89262128528766 15.999 > 27 109 O 0.44309334298056 0.43209408255502 0.60737871471234 15.999 > 28 110 O 0.94309334298056 0.43209408255502 0.60737871471234 15.999 > 28 111 O 0.44309334298056 0.93209408255502 0.60737871471234 15.999 > 28 112 O 0.94309334298056 0.93209408255502 0.60737871471234 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4762981 0.0000000 0.4167852 0.0000000 3.5989071 0.0000000 0.4167861 0.0000000 3.0258647 -------------------------- Born effective charges -------------------------- 1 Hg 2.1318065 0.1297482 0.3289622 -0.0988948 2.6376515 -0.4677656 0.3699185 0.1159604 2.0126402 2 Hg 2.1318065 -0.1297482 0.3289622 0.0988948 2.6376515 0.4677656 0.3699185 -0.1159604 2.0126402 3 Hg 2.1318065 0.1297482 0.3289622 -0.0988948 2.6376515 -0.4677656 0.3699185 0.1159604 2.0126402 4 Hg 2.1318065 -0.1297482 0.3289622 0.0988948 2.6376515 0.4677656 0.3699185 -0.1159604 2.0126402 5 H 1.5977680 0.3120578 0.3841224 0.4958709 0.2102629 0.1947332 0.5503941 0.0750318 0.4364840 6 H 1.5977680 -0.3120578 0.3841224 -0.4958709 0.2102629 -0.1947332 0.5503941 -0.0750318 0.4364840 7 H 1.5977680 0.3120578 0.3841224 0.4958709 0.2102629 0.1947332 0.5503941 0.0750318 0.4364840 8 H 1.5977680 -0.3120578 0.3841224 -0.4958709 0.2102629 -0.1947332 0.5503941 -0.0750318 0.4364840 9 N 2.8837992 -0.3577973 1.0107051 -0.6764430 1.7289909 0.9940846 0.8834467 1.0370251 1.3507984 10 N 2.8837992 0.3577973 1.0107051 0.6764430 1.7289909 -0.9940846 0.8834467 -1.0370251 1.3507984 11 N 2.8837992 -0.3577973 1.0107051 -0.6764430 1.7289909 0.9940846 0.8834467 1.0370251 1.3507984 12 N 2.8837992 0.3577973 1.0107051 0.6764430 1.7289909 -0.9940846 0.8834467 -1.0370251 1.3507984 13 O -2.2720320 0.2993799 -0.5047672 0.3780304 -0.7994011 -0.0182503 -0.4855421 -0.0305497 -0.9463287 14 O -2.2720320 -0.2993799 -0.5047672 -0.3780304 -0.7994011 0.0182503 -0.4855421 0.0305497 -0.9463287 15 O -2.2720320 0.2993799 -0.5047672 0.3780304 -0.7994011 -0.0182503 -0.4855421 -0.0305497 -0.9463287 16 O -2.2720320 -0.2993799 -0.5047672 -0.3780304 -0.7994011 0.0182503 -0.4855421 0.0305497 -0.9463287 17 O -1.4879484 0.6304760 -0.1321272 0.5861728 -1.2769362 -0.5341168 -0.1985259 -0.5120293 -0.7274696 18 O -1.4879484 -0.6304760 -0.1321272 -0.5861728 -1.2769362 0.5341168 -0.1985259 0.5120293 -0.7274696 19 O -1.4879484 0.6304760 -0.1321272 0.5861728 -1.2769362 -0.5341168 -0.1985259 -0.5120293 -0.7274696 20 O -1.4879484 -0.6304760 -0.1321272 -0.5861728 -1.2769362 0.5341168 -0.1985259 0.5120293 -0.7274696 21 O -1.3321424 -0.4840338 -0.7798380 -0.1753449 -0.7629492 -0.4914064 -0.6591696 -0.5985318 -1.1048241 22 O -1.3321424 0.4840338 -0.7798380 0.1753449 -0.7629492 0.4914064 -0.6591696 0.5985318 -1.1048241 23 O -1.3321424 -0.4840338 -0.7798380 -0.1753449 -0.7629492 -0.4914064 -0.6591696 -0.5985318 -1.1048241 24 O -1.3321424 0.4840338 -0.7798380 0.1753449 -0.7629492 0.4914064 -0.6591696 0.5985318 -1.1048241 25 O -1.5212510 0.0854824 -0.3070571 0.2985078 -1.7376188 0.1380340 -0.4605217 -0.0318134 -1.0213003 26 O -1.5212510 -0.0854824 -0.3070571 -0.2985078 -1.7376188 -0.1380340 -0.4605217 0.0318134 -1.0213003 27 O -1.5212510 0.0854824 -0.3070571 0.2985078 -1.7376188 0.1380340 -0.4605217 -0.0318134 -1.0213003 28 O -1.5212510 -0.0854824 -0.3070571 -0.2985078 -1.7376188 -0.1380340 -0.4605217 0.0318134 -1.0213003 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.011 Solver_block: 200 / 880 - Time: 0.937 Solver_block: 300 / 880 - Time: 0.944 Solver_block: 400 / 880 - Time: 0.946 Solver_block: 500 / 880 - Time: 0.943 Solver_block: 600 / 880 - Time: 0.941 Solver_block: 700 / 880 - Time: 0.948 Solver_block: 800 / 880 - Time: 0.956 Solver_block: 880 / 880 - Time: 0.776 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.611 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:50:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:50:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.600661119573302 0.000000000000000 0.000000000000000 b 0.000000000000000 7.166631090000002 0.000000000000000 c -3.509365921263468 0.000000000000000 7.235404712216946 Atomic positions (fractional): 1 Hg 0.98768014821642 0.37818388218033 0.23618028303493 200.590 2 Hg 0.01231985178358 0.87818388218033 0.26381971696507 200.590 3 Hg 0.01231985178358 0.62181611781967 0.76381971696507 200.590 4 Hg 0.98768014821642 0.12181611781967 0.73618028303493 200.590 5 H 0.28431819641616 0.14768105289702 0.43907944641537 1.008 6 H 0.71568180358384 0.64768105289702 0.06092055358462 1.008 7 H 0.71568180358384 0.85231894710298 0.56092055358463 1.008 8 H 0.28431819641616 0.35231894710298 0.93907944641537 1.008 9 N 0.58265968890498 0.16698824139737 0.92223294582602 14.007 10 N 0.41734031109502 0.66698824139737 0.57776705417398 14.007 11 N 0.41734031109502 0.83301175860263 0.07776705417398 14.007 12 N 0.58265968890498 0.33301175860263 0.42223294582602 14.007 13 O 0.78726126975459 0.12411381931301 0.96688305797182 15.999 14 O 0.21273873024541 0.62411381931301 0.53311694202818 15.999 15 O 0.21273873024541 0.87588618068699 0.03311694202818 15.999 16 O 0.78726126975459 0.37588618068699 0.46688305797182 15.999 17 O 0.54469806249499 0.30347164473998 0.00583801637915 15.999 18 O 0.45530193750501 0.80347164473998 0.49416198362085 15.999 19 O 0.45530193750501 0.69652835526002 0.99416198362084 15.999 20 O 0.54469806249499 0.19652835526002 0.50583801637916 15.999 21 O 0.42660237647269 0.07644714387192 0.80198009247797 15.999 22 O 0.57339762352730 0.57644714387192 0.69801990752203 15.999 23 O 0.57339762352730 0.92355285612808 0.19801990752203 15.999 24 O 0.42660237647269 0.42355285612807 0.30198009247797 15.999 25 O 0.88618668596113 0.63581183488996 0.10737871471235 15.999 26 O 0.11381331403887 0.13581183488996 0.39262128528765 15.999 27 O 0.11381331403887 0.36418816511004 0.89262128528766 15.999 28 O 0.88618668596113 0.86418816511004 0.60737871471234 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.201322239146604 0.000000000000000 0.000000000000000 b 0.000000000000000 14.333262180000004 0.000000000000000 c -3.509365921263468 0.000000000000000 7.235404712216946 Atomic positions (fractional): 1 Hg 0.49384007410821 0.18909194109016 0.23618028303493 200.590 > 1 2 Hg 0.99384007410821 0.18909194109016 0.23618028303493 200.590 > 1 3 Hg 0.49384007410821 0.68909194109016 0.23618028303493 200.590 > 1 4 Hg 0.99384007410821 0.68909194109016 0.23618028303493 200.590 > 1 5 Hg 0.00615992589179 0.43909194109016 0.26381971696507 200.590 > 5 6 Hg 0.50615992589179 0.43909194109016 0.26381971696507 200.590 > 5 7 Hg 0.00615992589179 0.93909194109016 0.26381971696507 200.590 > 5 8 Hg 0.50615992589179 0.93909194109016 0.26381971696507 200.590 > 5 9 Hg 0.00615992589179 0.31090805890984 0.76381971696507 200.590 > 9 10 Hg 0.50615992589179 0.31090805890984 0.76381971696507 200.590 > 9 11 Hg 0.00615992589179 0.81090805890984 0.76381971696507 200.590 > 9 12 Hg 0.50615992589179 0.81090805890984 0.76381971696507 200.590 > 9 13 Hg 0.49384007410821 0.06090805890984 0.73618028303493 200.590 > 13 14 Hg 0.99384007410821 0.06090805890984 0.73618028303493 200.590 > 13 15 Hg 0.49384007410821 0.56090805890984 0.73618028303493 200.590 > 13 16 Hg 0.99384007410821 0.56090805890984 0.73618028303493 200.590 > 13 17 H 0.14215909820808 0.07384052644851 0.43907944641537 1.008 > 17 18 H 0.64215909820808 0.07384052644851 0.43907944641537 1.008 > 17 19 H 0.14215909820808 0.57384052644851 0.43907944641537 1.008 > 17 20 H 0.64215909820808 0.57384052644851 0.43907944641537 1.008 > 17 21 H 0.35784090179192 0.32384052644851 0.06092055358462 1.008 > 21 22 H 0.85784090179192 0.32384052644851 0.06092055358462 1.008 > 21 23 H 0.35784090179192 0.82384052644851 0.06092055358462 1.008 > 21 24 H 0.85784090179192 0.82384052644851 0.06092055358462 1.008 > 21 25 H 0.35784090179192 0.42615947355149 0.56092055358463 1.008 > 25 26 H 0.85784090179192 0.42615947355149 0.56092055358463 1.008 > 25 27 H 0.35784090179192 0.92615947355149 0.56092055358463 1.008 > 25 28 H 0.85784090179192 0.92615947355149 0.56092055358463 1.008 > 25 29 H 0.14215909820808 0.17615947355149 0.93907944641537 1.008 > 29 30 H 0.64215909820808 0.17615947355149 0.93907944641537 1.008 > 29 31 H 0.14215909820808 0.67615947355149 0.93907944641537 1.008 > 29 32 H 0.64215909820808 0.67615947355149 0.93907944641537 1.008 > 29 33 N 0.29132984445249 0.08349412069869 0.92223294582602 14.007 > 33 34 N 0.79132984445249 0.08349412069869 0.92223294582602 14.007 > 33 35 N 0.29132984445249 0.58349412069869 0.92223294582602 14.007 > 33 36 N 0.79132984445249 0.58349412069869 0.92223294582602 14.007 > 33 37 N 0.20867015554751 0.33349412069869 0.57776705417398 14.007 > 37 38 N 0.70867015554751 0.33349412069869 0.57776705417398 14.007 > 37 39 N 0.20867015554751 0.83349412069869 0.57776705417398 14.007 > 37 40 N 0.70867015554751 0.83349412069869 0.57776705417398 14.007 > 37 41 N 0.20867015554751 0.41650587930131 0.07776705417398 14.007 > 41 42 N 0.70867015554751 0.41650587930131 0.07776705417398 14.007 > 41 43 N 0.20867015554751 0.91650587930131 0.07776705417398 14.007 > 41 44 N 0.70867015554751 0.91650587930131 0.07776705417398 14.007 > 41 45 N 0.29132984445249 0.16650587930131 0.42223294582602 14.007 > 45 46 N 0.79132984445249 0.16650587930131 0.42223294582602 14.007 > 45 47 N 0.29132984445249 0.66650587930131 0.42223294582602 14.007 > 45 48 N 0.79132984445249 0.66650587930131 0.42223294582602 14.007 > 45 49 O 0.39363063487729 0.06205690965650 0.96688305797182 15.999 > 49 50 O 0.89363063487729 0.06205690965650 0.96688305797182 15.999 > 49 51 O 0.39363063487729 0.56205690965651 0.96688305797182 15.999 > 49 52 O 0.89363063487729 0.56205690965651 0.96688305797182 15.999 > 49 53 O 0.10636936512271 0.31205690965651 0.53311694202818 15.999 > 53 54 O 0.60636936512271 0.31205690965651 0.53311694202818 15.999 > 53 55 O 0.10636936512271 0.81205690965651 0.53311694202818 15.999 > 53 56 O 0.60636936512271 0.81205690965651 0.53311694202818 15.999 > 53 57 O 0.10636936512271 0.43794309034349 0.03311694202818 15.999 > 57 58 O 0.60636936512271 0.43794309034349 0.03311694202818 15.999 > 57 59 O 0.10636936512271 0.93794309034349 0.03311694202818 15.999 > 57 60 O 0.60636936512271 0.93794309034349 0.03311694202818 15.999 > 57 61 O 0.39363063487729 0.18794309034349 0.46688305797182 15.999 > 61 62 O 0.89363063487729 0.18794309034349 0.46688305797182 15.999 > 61 63 O 0.39363063487729 0.68794309034349 0.46688305797182 15.999 > 61 64 O 0.89363063487729 0.68794309034349 0.46688305797182 15.999 > 61 65 O 0.27234903124750 0.15173582236999 0.00583801637915 15.999 > 65 66 O 0.77234903124750 0.15173582236999 0.00583801637915 15.999 > 65 67 O 0.27234903124750 0.65173582236999 0.00583801637915 15.999 > 65 68 O 0.77234903124750 0.65173582236999 0.00583801637915 15.999 > 65 69 O 0.22765096875250 0.40173582236999 0.49416198362085 15.999 > 69 70 O 0.72765096875250 0.40173582236999 0.49416198362085 15.999 > 69 71 O 0.22765096875250 0.90173582236999 0.49416198362085 15.999 > 69 72 O 0.72765096875250 0.90173582236999 0.49416198362085 15.999 > 69 73 O 0.22765096875250 0.34826417763001 0.99416198362084 15.999 > 73 74 O 0.72765096875250 0.34826417763001 0.99416198362084 15.999 > 73 75 O 0.22765096875250 0.84826417763001 0.99416198362084 15.999 > 73 76 O 0.72765096875250 0.84826417763001 0.99416198362084 15.999 > 73 77 O 0.27234903124750 0.09826417763001 0.50583801637916 15.999 > 77 78 O 0.77234903124750 0.09826417763001 0.50583801637916 15.999 > 77 79 O 0.27234903124750 0.59826417763001 0.50583801637916 15.999 > 77 80 O 0.77234903124750 0.59826417763001 0.50583801637916 15.999 > 77 81 O 0.21330118823635 0.03822357193596 0.80198009247797 15.999 > 81 82 O 0.71330118823635 0.03822357193596 0.80198009247797 15.999 > 81 83 O 0.21330118823635 0.53822357193596 0.80198009247797 15.999 > 81 84 O 0.71330118823635 0.53822357193596 0.80198009247797 15.999 > 81 85 O 0.28669881176365 0.28822357193596 0.69801990752203 15.999 > 85 86 O 0.78669881176365 0.28822357193596 0.69801990752203 15.999 > 85 87 O 0.28669881176365 0.78822357193596 0.69801990752203 15.999 > 85 88 O 0.78669881176365 0.78822357193596 0.69801990752203 15.999 > 85 89 O 0.28669881176365 0.46177642806404 0.19801990752203 15.999 > 89 90 O 0.78669881176365 0.46177642806404 0.19801990752203 15.999 > 89 91 O 0.28669881176365 0.96177642806404 0.19801990752203 15.999 > 89 92 O 0.78669881176365 0.96177642806404 0.19801990752203 15.999 > 89 93 O 0.21330118823635 0.21177642806404 0.30198009247797 15.999 > 93 94 O 0.71330118823635 0.21177642806404 0.30198009247797 15.999 > 93 95 O 0.21330118823635 0.71177642806404 0.30198009247797 15.999 > 93 96 O 0.71330118823635 0.71177642806404 0.30198009247797 15.999 > 93 97 O 0.44309334298056 0.31790591744498 0.10737871471235 15.999 > 97 98 O 0.94309334298056 0.31790591744498 0.10737871471235 15.999 > 97 99 O 0.44309334298056 0.81790591744498 0.10737871471235 15.999 > 97 100 O 0.94309334298056 0.81790591744498 0.10737871471235 15.999 > 97 101 O 0.05690665701944 0.06790591744498 0.39262128528765 15.999 > 101 102 O 0.55690665701944 0.06790591744498 0.39262128528765 15.999 > 101 103 O 0.05690665701944 0.56790591744498 0.39262128528765 15.999 > 101 104 O 0.55690665701944 0.56790591744498 0.39262128528765 15.999 > 101 105 O 0.05690665701944 0.18209408255502 0.89262128528766 15.999 > 105 106 O 0.55690665701944 0.18209408255502 0.89262128528766 15.999 > 105 107 O 0.05690665701944 0.68209408255502 0.89262128528766 15.999 > 105 108 O 0.55690665701944 0.68209408255502 0.89262128528766 15.999 > 105 109 O 0.44309334298056 0.43209408255502 0.60737871471234 15.999 > 109 110 O 0.94309334298056 0.43209408255502 0.60737871471234 15.999 > 109 111 O 0.44309334298056 0.93209408255502 0.60737871471234 15.999 > 109 112 O 0.94309334298056 0.93209408255502 0.60737871471234 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4762981 0.0000000 0.4167852 0.0000000 3.5989071 0.0000000 0.4167861 0.0000000 3.0258647 -------------------------- Born effective charges -------------------------- 1 Hg 2.1318065 0.1297482 0.3289622 -0.0988948 2.6376515 -0.4677656 0.3699185 0.1159604 2.0126402 2 Hg 2.1318065 -0.1297482 0.3289622 0.0988948 2.6376515 0.4677656 0.3699185 -0.1159604 2.0126402 3 Hg 2.1318065 0.1297482 0.3289622 -0.0988948 2.6376515 -0.4677656 0.3699185 0.1159604 2.0126402 4 Hg 2.1318065 -0.1297482 0.3289622 0.0988948 2.6376515 0.4677656 0.3699185 -0.1159604 2.0126402 5 H 1.5977680 0.3120578 0.3841224 0.4958709 0.2102629 0.1947332 0.5503941 0.0750318 0.4364840 6 H 1.5977680 -0.3120578 0.3841224 -0.4958709 0.2102629 -0.1947332 0.5503941 -0.0750318 0.4364840 7 H 1.5977680 0.3120578 0.3841224 0.4958709 0.2102629 0.1947332 0.5503941 0.0750318 0.4364840 8 H 1.5977680 -0.3120578 0.3841224 -0.4958709 0.2102629 -0.1947332 0.5503941 -0.0750318 0.4364840 9 N 2.8837992 -0.3577973 1.0107051 -0.6764430 1.7289909 0.9940846 0.8834467 1.0370251 1.3507984 10 N 2.8837992 0.3577973 1.0107051 0.6764430 1.7289909 -0.9940846 0.8834467 -1.0370251 1.3507984 11 N 2.8837992 -0.3577973 1.0107051 -0.6764430 1.7289909 0.9940846 0.8834467 1.0370251 1.3507984 12 N 2.8837992 0.3577973 1.0107051 0.6764430 1.7289909 -0.9940846 0.8834467 -1.0370251 1.3507984 13 O -2.2720320 0.2993799 -0.5047672 0.3780304 -0.7994011 -0.0182503 -0.4855421 -0.0305497 -0.9463287 14 O -2.2720320 -0.2993799 -0.5047672 -0.3780304 -0.7994011 0.0182503 -0.4855421 0.0305497 -0.9463287 15 O -2.2720320 0.2993799 -0.5047672 0.3780304 -0.7994011 -0.0182503 -0.4855421 -0.0305497 -0.9463287 16 O -2.2720320 -0.2993799 -0.5047672 -0.3780304 -0.7994011 0.0182503 -0.4855421 0.0305497 -0.9463287 17 O -1.4879484 0.6304760 -0.1321272 0.5861728 -1.2769362 -0.5341168 -0.1985259 -0.5120293 -0.7274696 18 O -1.4879484 -0.6304760 -0.1321272 -0.5861728 -1.2769362 0.5341168 -0.1985259 0.5120293 -0.7274696 19 O -1.4879484 0.6304760 -0.1321272 0.5861728 -1.2769362 -0.5341168 -0.1985259 -0.5120293 -0.7274696 20 O -1.4879484 -0.6304760 -0.1321272 -0.5861728 -1.2769362 0.5341168 -0.1985259 0.5120293 -0.7274696 21 O -1.3321424 -0.4840338 -0.7798380 -0.1753449 -0.7629492 -0.4914064 -0.6591696 -0.5985318 -1.1048241 22 O -1.3321424 0.4840338 -0.7798380 0.1753449 -0.7629492 0.4914064 -0.6591696 0.5985318 -1.1048241 23 O -1.3321424 -0.4840338 -0.7798380 -0.1753449 -0.7629492 -0.4914064 -0.6591696 -0.5985318 -1.1048241 24 O -1.3321424 0.4840338 -0.7798380 0.1753449 -0.7629492 0.4914064 -0.6591696 0.5985318 -1.1048241 25 O -1.5212510 0.0854824 -0.3070571 0.2985078 -1.7376188 0.1380340 -0.4605217 -0.0318134 -1.0213003 26 O -1.5212510 -0.0854824 -0.3070571 -0.2985078 -1.7376188 -0.1380340 -0.4605217 0.0318134 -1.0213003 27 O -1.5212510 0.0854824 -0.3070571 0.2985078 -1.7376188 0.1380340 -0.4605217 -0.0318134 -1.0213003 28 O -1.5212510 -0.0854824 -0.3070571 -0.2985078 -1.7376188 -0.1380340 -0.4605217 0.0318134 -1.0213003 ---------------------------------------------------------------------------- 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 97, 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000009 (xxx) -0.00000009 (xxx) -0.00000009 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:50:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:50:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.600661119573302 0.000000000000000 0.000000000000000 b 0.000000000000000 7.166631090000002 0.000000000000000 c -3.509365921263468 0.000000000000000 7.235404712216946 Atomic positions (fractional): 1 Hg 0.98768014821642 0.37818388218033 0.23618028303493 200.590 2 Hg 0.01231985178358 0.87818388218033 0.26381971696507 200.590 3 Hg 0.01231985178358 0.62181611781967 0.76381971696507 200.590 4 Hg 0.98768014821642 0.12181611781967 0.73618028303493 200.590 5 H 0.28431819641616 0.14768105289702 0.43907944641537 1.008 6 H 0.71568180358384 0.64768105289702 0.06092055358462 1.008 7 H 0.71568180358384 0.85231894710298 0.56092055358463 1.008 8 H 0.28431819641616 0.35231894710298 0.93907944641537 1.008 9 N 0.58265968890498 0.16698824139737 0.92223294582602 14.007 10 N 0.41734031109502 0.66698824139737 0.57776705417398 14.007 11 N 0.41734031109502 0.83301175860263 0.07776705417398 14.007 12 N 0.58265968890498 0.33301175860263 0.42223294582602 14.007 13 O 0.78726126975459 0.12411381931301 0.96688305797182 15.999 14 O 0.21273873024541 0.62411381931301 0.53311694202818 15.999 15 O 0.21273873024541 0.87588618068699 0.03311694202818 15.999 16 O 0.78726126975459 0.37588618068699 0.46688305797182 15.999 17 O 0.54469806249499 0.30347164473998 0.00583801637915 15.999 18 O 0.45530193750501 0.80347164473998 0.49416198362085 15.999 19 O 0.45530193750501 0.69652835526002 0.99416198362084 15.999 20 O 0.54469806249499 0.19652835526002 0.50583801637916 15.999 21 O 0.42660237647269 0.07644714387192 0.80198009247797 15.999 22 O 0.57339762352730 0.57644714387192 0.69801990752203 15.999 23 O 0.57339762352730 0.92355285612808 0.19801990752203 15.999 24 O 0.42660237647269 0.42355285612807 0.30198009247797 15.999 25 O 0.88618668596113 0.63581183488996 0.10737871471235 15.999 26 O 0.11381331403887 0.13581183488996 0.39262128528765 15.999 27 O 0.11381331403887 0.36418816511004 0.89262128528766 15.999 28 O 0.88618668596113 0.86418816511004 0.60737871471234 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.201322239146604 0.000000000000000 0.000000000000000 b 0.000000000000000 14.333262180000004 0.000000000000000 c -3.509365921263468 0.000000000000000 7.235404712216946 Atomic positions (fractional): 1 Hg 0.49384007410821 0.18909194109016 0.23618028303493 200.590 > 1 2 Hg 0.99384007410821 0.18909194109016 0.23618028303493 200.590 > 1 3 Hg 0.49384007410821 0.68909194109016 0.23618028303493 200.590 > 1 4 Hg 0.99384007410821 0.68909194109016 0.23618028303493 200.590 > 1 5 Hg 0.00615992589179 0.43909194109016 0.26381971696507 200.590 > 5 6 Hg 0.50615992589179 0.43909194109016 0.26381971696507 200.590 > 5 7 Hg 0.00615992589179 0.93909194109016 0.26381971696507 200.590 > 5 8 Hg 0.50615992589179 0.93909194109016 0.26381971696507 200.590 > 5 9 Hg 0.00615992589179 0.31090805890984 0.76381971696507 200.590 > 9 10 Hg 0.50615992589179 0.31090805890984 0.76381971696507 200.590 > 9 11 Hg 0.00615992589179 0.81090805890984 0.76381971696507 200.590 > 9 12 Hg 0.50615992589179 0.81090805890984 0.76381971696507 200.590 > 9 13 Hg 0.49384007410821 0.06090805890984 0.73618028303493 200.590 > 13 14 Hg 0.99384007410821 0.06090805890984 0.73618028303493 200.590 > 13 15 Hg 0.49384007410821 0.56090805890984 0.73618028303493 200.590 > 13 16 Hg 0.99384007410821 0.56090805890984 0.73618028303493 200.590 > 13 17 H 0.14215909820808 0.07384052644851 0.43907944641537 1.008 > 17 18 H 0.64215909820808 0.07384052644851 0.43907944641537 1.008 > 17 19 H 0.14215909820808 0.57384052644851 0.43907944641537 1.008 > 17 20 H 0.64215909820808 0.57384052644851 0.43907944641537 1.008 > 17 21 H 0.35784090179192 0.32384052644851 0.06092055358462 1.008 > 21 22 H 0.85784090179192 0.32384052644851 0.06092055358462 1.008 > 21 23 H 0.35784090179192 0.82384052644851 0.06092055358462 1.008 > 21 24 H 0.85784090179192 0.82384052644851 0.06092055358462 1.008 > 21 25 H 0.35784090179192 0.42615947355149 0.56092055358463 1.008 > 25 26 H 0.85784090179192 0.42615947355149 0.56092055358463 1.008 > 25 27 H 0.35784090179192 0.92615947355149 0.56092055358463 1.008 > 25 28 H 0.85784090179192 0.92615947355149 0.56092055358463 1.008 > 25 29 H 0.14215909820808 0.17615947355149 0.93907944641537 1.008 > 29 30 H 0.64215909820808 0.17615947355149 0.93907944641537 1.008 > 29 31 H 0.14215909820808 0.67615947355149 0.93907944641537 1.008 > 29 32 H 0.64215909820808 0.67615947355149 0.93907944641537 1.008 > 29 33 N 0.29132984445249 0.08349412069869 0.92223294582602 14.007 > 33 34 N 0.79132984445249 0.08349412069869 0.92223294582602 14.007 > 33 35 N 0.29132984445249 0.58349412069869 0.92223294582602 14.007 > 33 36 N 0.79132984445249 0.58349412069869 0.92223294582602 14.007 > 33 37 N 0.20867015554751 0.33349412069869 0.57776705417398 14.007 > 37 38 N 0.70867015554751 0.33349412069869 0.57776705417398 14.007 > 37 39 N 0.20867015554751 0.83349412069869 0.57776705417398 14.007 > 37 40 N 0.70867015554751 0.83349412069869 0.57776705417398 14.007 > 37 41 N 0.20867015554751 0.41650587930131 0.07776705417398 14.007 > 41 42 N 0.70867015554751 0.41650587930131 0.07776705417398 14.007 > 41 43 N 0.20867015554751 0.91650587930131 0.07776705417398 14.007 > 41 44 N 0.70867015554751 0.91650587930131 0.07776705417398 14.007 > 41 45 N 0.29132984445249 0.16650587930131 0.42223294582602 14.007 > 45 46 N 0.79132984445249 0.16650587930131 0.42223294582602 14.007 > 45 47 N 0.29132984445249 0.66650587930131 0.42223294582602 14.007 > 45 48 N 0.79132984445249 0.66650587930131 0.42223294582602 14.007 > 45 49 O 0.39363063487729 0.06205690965650 0.96688305797182 15.999 > 49 50 O 0.89363063487729 0.06205690965650 0.96688305797182 15.999 > 49 51 O 0.39363063487729 0.56205690965651 0.96688305797182 15.999 > 49 52 O 0.89363063487729 0.56205690965651 0.96688305797182 15.999 > 49 53 O 0.10636936512271 0.31205690965651 0.53311694202818 15.999 > 53 54 O 0.60636936512271 0.31205690965651 0.53311694202818 15.999 > 53 55 O 0.10636936512271 0.81205690965651 0.53311694202818 15.999 > 53 56 O 0.60636936512271 0.81205690965651 0.53311694202818 15.999 > 53 57 O 0.10636936512271 0.43794309034349 0.03311694202818 15.999 > 57 58 O 0.60636936512271 0.43794309034349 0.03311694202818 15.999 > 57 59 O 0.10636936512271 0.93794309034349 0.03311694202818 15.999 > 57 60 O 0.60636936512271 0.93794309034349 0.03311694202818 15.999 > 57 61 O 0.39363063487729 0.18794309034349 0.46688305797182 15.999 > 61 62 O 0.89363063487729 0.18794309034349 0.46688305797182 15.999 > 61 63 O 0.39363063487729 0.68794309034349 0.46688305797182 15.999 > 61 64 O 0.89363063487729 0.68794309034349 0.46688305797182 15.999 > 61 65 O 0.27234903124750 0.15173582236999 0.00583801637915 15.999 > 65 66 O 0.77234903124750 0.15173582236999 0.00583801637915 15.999 > 65 67 O 0.27234903124750 0.65173582236999 0.00583801637915 15.999 > 65 68 O 0.77234903124750 0.65173582236999 0.00583801637915 15.999 > 65 69 O 0.22765096875250 0.40173582236999 0.49416198362085 15.999 > 69 70 O 0.72765096875250 0.40173582236999 0.49416198362085 15.999 > 69 71 O 0.22765096875250 0.90173582236999 0.49416198362085 15.999 > 69 72 O 0.72765096875250 0.90173582236999 0.49416198362085 15.999 > 69 73 O 0.22765096875250 0.34826417763001 0.99416198362084 15.999 > 73 74 O 0.72765096875250 0.34826417763001 0.99416198362084 15.999 > 73 75 O 0.22765096875250 0.84826417763001 0.99416198362084 15.999 > 73 76 O 0.72765096875250 0.84826417763001 0.99416198362084 15.999 > 73 77 O 0.27234903124750 0.09826417763001 0.50583801637916 15.999 > 77 78 O 0.77234903124750 0.09826417763001 0.50583801637916 15.999 > 77 79 O 0.27234903124750 0.59826417763001 0.50583801637916 15.999 > 77 80 O 0.77234903124750 0.59826417763001 0.50583801637916 15.999 > 77 81 O 0.21330118823635 0.03822357193596 0.80198009247797 15.999 > 81 82 O 0.71330118823635 0.03822357193596 0.80198009247797 15.999 > 81 83 O 0.21330118823635 0.53822357193596 0.80198009247797 15.999 > 81 84 O 0.71330118823635 0.53822357193596 0.80198009247797 15.999 > 81 85 O 0.28669881176365 0.28822357193596 0.69801990752203 15.999 > 85 86 O 0.78669881176365 0.28822357193596 0.69801990752203 15.999 > 85 87 O 0.28669881176365 0.78822357193596 0.69801990752203 15.999 > 85 88 O 0.78669881176365 0.78822357193596 0.69801990752203 15.999 > 85 89 O 0.28669881176365 0.46177642806404 0.19801990752203 15.999 > 89 90 O 0.78669881176365 0.46177642806404 0.19801990752203 15.999 > 89 91 O 0.28669881176365 0.96177642806404 0.19801990752203 15.999 > 89 92 O 0.78669881176365 0.96177642806404 0.19801990752203 15.999 > 89 93 O 0.21330118823635 0.21177642806404 0.30198009247797 15.999 > 93 94 O 0.71330118823635 0.21177642806404 0.30198009247797 15.999 > 93 95 O 0.21330118823635 0.71177642806404 0.30198009247797 15.999 > 93 96 O 0.71330118823635 0.71177642806404 0.30198009247797 15.999 > 93 97 O 0.44309334298056 0.31790591744498 0.10737871471235 15.999 > 97 98 O 0.94309334298056 0.31790591744498 0.10737871471235 15.999 > 97 99 O 0.44309334298056 0.81790591744498 0.10737871471235 15.999 > 97 100 O 0.94309334298056 0.81790591744498 0.10737871471235 15.999 > 97 101 O 0.05690665701944 0.06790591744498 0.39262128528765 15.999 > 101 102 O 0.55690665701944 0.06790591744498 0.39262128528765 15.999 > 101 103 O 0.05690665701944 0.56790591744498 0.39262128528765 15.999 > 101 104 O 0.55690665701944 0.56790591744498 0.39262128528765 15.999 > 101 105 O 0.05690665701944 0.18209408255502 0.89262128528766 15.999 > 105 106 O 0.55690665701944 0.18209408255502 0.89262128528766 15.999 > 105 107 O 0.05690665701944 0.68209408255502 0.89262128528766 15.999 > 105 108 O 0.55690665701944 0.68209408255502 0.89262128528766 15.999 > 105 109 O 0.44309334298056 0.43209408255502 0.60737871471234 15.999 > 109 110 O 0.94309334298056 0.43209408255502 0.60737871471234 15.999 > 109 111 O 0.44309334298056 0.93209408255502 0.60737871471234 15.999 > 109 112 O 0.94309334298056 0.93209408255502 0.60737871471234 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4762981 0.0000000 0.4167852 0.0000000 3.5989071 0.0000000 0.4167861 0.0000000 3.0258647 -------------------------- Born effective charges -------------------------- 1 Hg 2.1318065 0.1297482 0.3289622 -0.0988948 2.6376515 -0.4677656 0.3699185 0.1159604 2.0126402 2 Hg 2.1318065 -0.1297482 0.3289622 0.0988948 2.6376515 0.4677656 0.3699185 -0.1159604 2.0126402 3 Hg 2.1318065 0.1297482 0.3289622 -0.0988948 2.6376515 -0.4677656 0.3699185 0.1159604 2.0126402 4 Hg 2.1318065 -0.1297482 0.3289622 0.0988948 2.6376515 0.4677656 0.3699185 -0.1159604 2.0126402 5 H 1.5977680 0.3120578 0.3841224 0.4958709 0.2102629 0.1947332 0.5503941 0.0750318 0.4364840 6 H 1.5977680 -0.3120578 0.3841224 -0.4958709 0.2102629 -0.1947332 0.5503941 -0.0750318 0.4364840 7 H 1.5977680 0.3120578 0.3841224 0.4958709 0.2102629 0.1947332 0.5503941 0.0750318 0.4364840 8 H 1.5977680 -0.3120578 0.3841224 -0.4958709 0.2102629 -0.1947332 0.5503941 -0.0750318 0.4364840 9 N 2.8837992 -0.3577973 1.0107051 -0.6764430 1.7289909 0.9940846 0.8834467 1.0370251 1.3507984 10 N 2.8837992 0.3577973 1.0107051 0.6764430 1.7289909 -0.9940846 0.8834467 -1.0370251 1.3507984 11 N 2.8837992 -0.3577973 1.0107051 -0.6764430 1.7289909 0.9940846 0.8834467 1.0370251 1.3507984 12 N 2.8837992 0.3577973 1.0107051 0.6764430 1.7289909 -0.9940846 0.8834467 -1.0370251 1.3507984 13 O -2.2720320 0.2993799 -0.5047672 0.3780304 -0.7994011 -0.0182503 -0.4855421 -0.0305497 -0.9463287 14 O -2.2720320 -0.2993799 -0.5047672 -0.3780304 -0.7994011 0.0182503 -0.4855421 0.0305497 -0.9463287 15 O -2.2720320 0.2993799 -0.5047672 0.3780304 -0.7994011 -0.0182503 -0.4855421 -0.0305497 -0.9463287 16 O -2.2720320 -0.2993799 -0.5047672 -0.3780304 -0.7994011 0.0182503 -0.4855421 0.0305497 -0.9463287 17 O -1.4879484 0.6304760 -0.1321272 0.5861728 -1.2769362 -0.5341168 -0.1985259 -0.5120293 -0.7274696 18 O -1.4879484 -0.6304760 -0.1321272 -0.5861728 -1.2769362 0.5341168 -0.1985259 0.5120293 -0.7274696 19 O -1.4879484 0.6304760 -0.1321272 0.5861728 -1.2769362 -0.5341168 -0.1985259 -0.5120293 -0.7274696 20 O -1.4879484 -0.6304760 -0.1321272 -0.5861728 -1.2769362 0.5341168 -0.1985259 0.5120293 -0.7274696 21 O -1.3321424 -0.4840338 -0.7798380 -0.1753449 -0.7629492 -0.4914064 -0.6591696 -0.5985318 -1.1048241 22 O -1.3321424 0.4840338 -0.7798380 0.1753449 -0.7629492 0.4914064 -0.6591696 0.5985318 -1.1048241 23 O -1.3321424 -0.4840338 -0.7798380 -0.1753449 -0.7629492 -0.4914064 -0.6591696 -0.5985318 -1.1048241 24 O -1.3321424 0.4840338 -0.7798380 0.1753449 -0.7629492 0.4914064 -0.6591696 0.5985318 -1.1048241 25 O -1.5212510 0.0854824 -0.3070571 0.2985078 -1.7376188 0.1380340 -0.4605217 -0.0318134 -1.0213003 26 O -1.5212510 -0.0854824 -0.3070571 -0.2985078 -1.7376188 -0.1380340 -0.4605217 0.0318134 -1.0213003 27 O -1.5212510 0.0854824 -0.3070571 0.2985078 -1.7376188 0.1380340 -0.4605217 -0.0318134 -1.0213003 28 O -1.5212510 -0.0854824 -0.3070571 -0.2985078 -1.7376188 -0.1380340 -0.4605217 0.0318134 -1.0213003 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000009 (xxx) -0.00000009 (xxx) -0.00000009 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 311, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 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 0.921 ( 0.000 0.000 0.000) 0.000 1.124 ( 0.000 0.000 0.000) 0.000 1.375 ( 0.000 0.000 0.000) 0.000 1.509 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.841 ( 0.000 0.000 0.000) 0.000 1.977 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.522 ( 0.000 0.000 0.000) 0.000 3.634 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 4.044 ( 0.000 0.000 0.000) 0.000 4.168 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.933 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.332 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 6.090 ( 0.000 0.000 0.000) 0.000 6.929 ( 0.000 0.000 0.000) 0.000 7.790 ( 0.000 0.000 0.000) 0.000 8.035 ( 0.000 0.000 0.000) 0.000 11.434 ( 0.000 0.000 0.000) 0.000 11.561 ( 0.000 0.000 0.000) 0.000 13.438 ( 0.000 0.000 0.000) 0.000 13.522 ( 0.000 0.000 0.000) 0.000 14.572 ( 0.000 0.000 0.000) 0.000 14.759 ( 0.000 0.000 0.000) 0.000 16.889 ( 0.000 0.000 0.000) 0.000 16.976 ( 0.000 0.000 0.000) 0.000 20.703 ( 0.000 0.000 0.000) 0.000 20.719 ( 0.000 0.000 0.000) 0.000 20.728 ( 0.000 0.000 0.000) 0.000 20.762 ( 0.000 0.000 0.000) 0.000 21.569 ( 0.000 0.000 0.000) 0.000 21.602 ( 0.000 0.000 0.000) 0.000 21.607 ( 0.000 0.000 0.000) 0.000 21.652 ( 0.000 0.000 0.000) 0.000 23.250 ( 0.000 0.000 0.000) 0.000 23.292 ( 0.000 0.000 0.000) 0.000 23.516 ( 0.000 0.000 0.000) 0.000 23.569 ( 0.000 0.000 0.000) 0.000 28.062 ( 0.000 0.000 0.000) 0.000 28.357 ( 0.000 0.000 0.000) 0.000 28.465 ( 0.000 0.000 0.000) 0.000 28.491 ( 0.000 0.000 0.000) 0.000 31.786 ( 0.000 0.000 0.000) 0.000 31.798 ( 0.000 0.000 0.000) 0.000 31.799 ( 0.000 0.000 0.000) 0.000 31.809 ( 0.000 0.000 0.000) 0.000 35.498 ( 0.000 0.000 0.000) 0.000 35.767 ( 0.000 0.000 0.000) 0.000 36.259 ( 0.000 0.000 0.000) 0.000 36.416 ( 0.000 0.000 0.000) 0.000 38.935 ( 0.000 0.000 0.000) 0.000 39.474 ( 0.000 0.000 0.000) 0.000 39.578 ( 0.000 0.000 0.000) 0.000 39.952 ( 0.000 0.000 0.000) 0.000 42.629 ( 0.000 0.000 0.000) 0.000 42.993 ( 0.000 0.000 0.000) 0.000 43.184 ( 0.000 0.000 0.000) 0.000 43.236 ( 0.000 0.000 0.000) 0.000 84.833 ( 0.000 0.000 0.000) 0.000 85.189 ( 0.000 0.000 0.000) 0.000 85.379 ( 0.000 0.000 0.000) 0.000 85.576 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.261 ( 9.607 0.000 8.016) 12.512 0.282 ( 11.220 0.000 6.954) 13.200 0.792 ( 29.650 0.000 18.953) 35.190 0.983 ( 4.114 0.000 3.714) 5.543 1.090 ( -1.034 0.000 -3.014) 3.186 1.385 ( 0.905 0.000 -0.376) 0.980 1.548 ( 3.241 0.000 0.641) 3.303 1.659 ( -0.300 0.000 1.011) 1.055 1.671 ( -4.089 0.000 -1.727) 4.439 1.811 ( -2.732 0.000 -1.509) 3.121 2.006 ( 2.177 0.000 0.637) 2.269 2.250 ( -1.749 0.000 -2.500) 3.051 2.283 ( -6.585 0.000 -4.059) 7.736 2.455 ( 0.353 0.000 -6.934) 6.943 2.814 ( 3.233 0.000 5.183) 6.109 2.887 ( 1.274 0.000 0.663) 1.436 3.270 ( 5.045 0.000 1.125) 5.168 3.421 ( 4.342 0.000 0.709) 4.399 3.532 ( -0.640 0.000 1.945) 2.047 3.593 ( -1.599 0.000 -3.109) 3.496 3.629 ( -1.852 0.000 -1.213) 2.214 3.701 ( 0.218 0.000 -0.972) 0.997 3.783 ( 3.659 0.000 0.942) 3.778 4.014 ( -3.531 0.000 0.232) 3.539 4.146 ( -2.889 0.000 1.163) 3.115 4.268 ( -4.096 0.000 3.654) 5.489 4.328 ( 0.889 0.000 0.738) 1.155 4.405 ( -0.019 0.000 -7.684) 7.684 4.590 ( -2.333 0.000 -0.525) 2.391 4.632 ( -2.406 0.000 0.222) 2.417 4.943 ( 0.377 0.000 -0.001) 0.377 5.090 ( -11.472 0.000 -6.165) 13.024 5.171 ( 2.017 0.000 1.159) 2.326 5.462 ( -6.318 0.000 8.506) 10.596 5.596 ( 3.967 0.000 2.028) 4.456 5.645 ( 11.933 0.000 -6.384) 13.533 6.177 ( 5.673 0.000 6.388) 8.543 6.835 ( -6.760 0.000 -4.478) 8.109 8.019 ( -7.727 0.000 1.038) 7.797 8.021 ( -2.307 0.000 1.234) 2.616 11.455 ( 2.210 0.000 -0.371) 2.241 11.555 ( -0.446 0.000 -0.537) 0.698 13.427 ( -2.052 0.000 1.520) 2.553 13.529 ( 0.193 0.000 0.907) 0.927 14.575 ( 0.431 0.000 -0.136) 0.452 14.785 ( 0.903 0.000 -1.613) 1.849 16.895 ( 0.476 0.000 0.360) 0.597 16.974 ( -0.125 0.000 -0.141) 0.189 20.705 ( 0.322 0.000 -0.180) 0.369 20.714 ( -0.637 0.000 0.210) 0.670 20.726 ( -0.226 0.000 0.117) 0.254 20.769 ( 0.548 0.000 -0.149) 0.568 21.570 ( -0.130 0.000 0.647) 0.660 21.597 ( -0.742 0.000 -0.397) 0.842 21.648 ( -0.034 0.000 -0.795) 0.796 21.676 ( 1.057 0.000 -1.525) 1.855 23.250 ( 0.036 0.000 -0.221) 0.224 23.291 ( -0.108 0.000 0.004) 0.108 23.516 ( 0.021 0.000 0.029) 0.036 23.569 ( 0.025 0.000 0.008) 0.026 28.085 ( 1.543 0.000 1.566) 2.198 28.371 ( 1.779 0.000 -4.083) 4.453 28.395 ( -4.189 0.000 -1.976) 4.632 28.516 ( 0.660 0.000 0.135) 0.674 31.763 ( -1.133 0.000 0.127) 1.140 31.807 ( -0.396 0.000 0.356) 0.533 31.816 ( -0.203 0.000 0.667) 0.697 31.824 ( 1.101 0.000 0.604) 1.256 35.744 ( -0.166 0.000 -3.517) 3.521 36.011 ( 9.282 0.000 -15.135) 17.754 36.317 ( 4.364 0.000 2.185) 4.881 36.425 ( 1.605 0.000 -1.991) 2.557 38.955 ( 1.474 0.000 1.013) 1.788 39.449 ( -1.727 0.000 -1.629) 2.374 39.937 ( -0.283 0.000 -2.519) 2.535 40.226 ( 12.557 0.000 -27.190) 29.949 42.639 ( 1.020 0.000 -0.157) 1.032 43.169 ( 1.293 0.000 -5.417) 5.569 43.235 ( -2.815 0.000 5.190) 5.904 44.237 ( -12.063 0.000 22.030) 25.116 85.161 ( -0.689 0.000 -4.548) 4.599 85.443 ( 5.356 0.000 2.391) 5.865 85.515 ( -4.079 0.000 -3.952) 5.679 87.503 ( 3.074 0.000 -14.561) 14.882 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 8.162 0.000 7.388) 11.009 0.542 ( 9.426 0.000 6.311) 11.344 0.966 ( -5.121 0.000 -1.176) 5.255 1.112 ( 5.345 0.000 3.250) 6.256 1.377 ( -2.673 0.000 -0.445) 2.710 1.507 ( 24.648 0.000 9.949) 26.581 1.565 ( -3.887 0.000 -2.653) 4.706 1.604 ( 2.174 0.000 2.668) 3.441 1.702 ( -6.015 0.000 -3.038) 6.738 1.707 ( 4.162 0.000 1.537) 4.437 2.057 ( 2.061 0.000 1.386) 2.484 2.122 ( -5.593 0.000 -2.729) 6.223 2.194 ( -0.825 0.000 -3.267) 3.369 2.396 ( -1.990 0.000 -1.438) 2.455 2.920 ( 1.278 0.000 1.320) 1.837 2.980 ( 7.013 0.000 7.264) 10.097 3.355 ( 3.398 0.000 2.049) 3.968 3.489 ( -3.244 0.000 -2.223) 3.933 3.504 ( 1.691 0.000 -3.677) 4.048 3.559 ( 2.146 0.000 -0.008) 2.146 3.625 ( 0.702 0.000 0.668) 0.969 3.685 ( -0.228 0.000 -0.732) 0.767 3.804 ( -4.283 0.000 -0.184) 4.287 3.945 ( -0.999 0.000 -0.907) 1.350 4.081 ( -5.132 0.000 1.545) 5.360 4.186 ( -5.278 0.000 -1.786) 5.572 4.324 ( -2.143 0.000 -5.201) 5.625 4.371 ( 2.645 0.000 0.144) 2.649 4.535 ( -2.229 0.000 -1.066) 2.471 4.590 ( -1.706 0.000 0.424) 1.757 4.826 ( -10.575 0.000 -5.210) 11.789 4.929 ( -1.888 0.000 0.346) 1.920 5.241 ( 3.419 0.000 1.121) 3.598 5.431 ( -0.977 0.000 2.103) 2.319 5.725 ( 6.556 0.000 3.271) 7.326 5.751 ( 4.308 0.000 -4.891) 6.518 6.404 ( 9.807 0.000 9.720) 13.808 6.643 ( -7.748 0.000 -4.596) 9.008 7.831 ( -10.776 0.000 -2.815) 11.137 7.966 ( -4.166 0.000 0.476) 4.193 11.503 ( 3.004 0.000 -0.491) 3.044 11.532 ( -1.260 0.000 -0.883) 1.539 13.396 ( -2.094 0.000 0.622) 2.184 13.542 ( 0.062 0.000 1.187) 1.189 14.587 ( 0.847 0.000 -0.002) 0.847 14.790 ( 0.563 0.000 -0.499) 0.753 16.911 ( 0.647 0.000 0.504) 0.820 16.969 ( -0.250 0.000 -0.217) 0.331 20.709 ( -0.075 0.000 0.416) 0.423 20.711 ( 0.429 0.000 -0.113) 0.444 20.723 ( -0.186 0.000 0.221) 0.289 20.773 ( 0.152 0.000 -0.559) 0.579 21.575 ( -0.984 0.000 -0.570) 1.137 21.577 ( 0.077 0.000 0.971) 0.974 21.636 ( -0.211 0.000 -1.337) 1.354 21.681 ( 0.685 0.000 -1.226) 1.404 23.248 ( -0.060 0.000 -0.082) 0.102 23.288 ( -0.154 0.000 0.005) 0.154 23.517 ( 0.029 0.000 0.040) 0.050 23.570 ( 0.037 0.000 0.018) 0.041 28.144 ( 2.472 0.000 2.529) 3.537 28.291 ( -4.435 0.000 -2.220) 4.960 28.363 ( 0.105 0.000 -1.782) 1.785 28.515 ( -0.453 0.000 -0.275) 0.530 31.754 ( -0.093 0.000 0.628) 0.634 31.802 ( -0.535 0.000 0.501) 0.733 31.820 ( 0.018 0.000 0.485) 0.485 31.841 ( 0.080 0.000 0.445) 0.452 35.718 ( 1.181 0.000 -3.748) 3.930 36.070 ( 5.817 0.000 -3.295) 6.686 36.426 ( 0.814 0.000 -3.659) 3.748 36.435 ( 5.230 0.000 2.159) 5.658 39.004 ( 2.259 0.000 1.429) 2.674 39.389 ( -2.283 0.000 -2.477) 3.369 39.901 ( -0.246 0.000 -3.728) 3.737 40.211 ( 4.219 0.000 -10.511) 11.326 42.661 ( 1.444 0.000 -0.210) 1.459 43.140 ( 0.598 0.000 -4.594) 4.633 43.220 ( -3.194 0.000 4.012) 5.128 44.204 ( -5.884 0.000 8.124) 10.032 85.082 ( -1.288 0.000 -8.055) 8.157 85.380 ( -5.170 0.000 -4.440) 6.815 85.606 ( 8.265 0.000 3.658) 9.039 87.400 ( -3.062 0.000 -7.149) 7.777 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 4.885 0.000 5.675) 7.488 0.738 ( 5.901 0.000 3.744) 6.989 0.866 ( -3.170 0.000 -2.382) 3.965 1.212 ( 1.602 0.000 -4.153) 4.451 1.256 ( -5.152 0.000 1.609) 5.398 1.510 ( -0.947 0.000 -0.411) 1.033 1.576 ( -4.252 0.000 -0.996) 4.367 1.599 ( -0.229 0.000 0.326) 0.398 1.795 ( 3.505 0.000 0.830) 3.601 1.994 ( 13.858 0.000 5.872) 15.051 2.033 ( -2.339 0.000 -1.082) 2.577 2.105 ( 1.606 0.000 0.951) 1.866 2.166 ( 0.243 0.000 -1.847) 1.863 2.364 ( -1.286 0.000 1.377) 1.884 2.962 ( 1.367 0.000 2.131) 2.532 3.147 ( 3.532 0.000 4.495) 5.716 3.413 ( -1.561 0.000 -2.668) 3.091 3.443 ( 2.192 0.000 -2.103) 3.038 3.494 ( 2.571 0.000 2.877) 3.858 3.590 ( -1.436 0.000 0.112) 1.440 3.616 ( -0.777 0.000 -1.044) 1.301 3.687 ( -2.896 0.000 -0.795) 3.003 3.713 ( 1.595 0.000 2.946) 3.350 3.932 ( -0.481 0.000 -2.777) 2.818 4.002 ( -3.615 0.000 0.827) 3.708 4.069 ( -4.089 0.000 -2.348) 4.715 4.210 ( -4.430 0.000 -6.574) 7.927 4.409 ( 1.377 0.000 -0.274) 1.404 4.498 ( -0.674 0.000 -0.756) 1.013 4.586 ( 0.631 0.000 0.251) 0.680 4.621 ( -6.792 0.000 -1.882) 7.048 4.891 ( -2.111 0.000 0.387) 2.146 5.295 ( 1.371 0.000 0.473) 1.450 5.470 ( 2.326 0.000 2.675) 3.545 5.732 ( -0.687 0.000 -5.021) 5.067 5.871 ( 5.120 0.000 2.438) 5.671 6.495 ( -4.116 0.000 -2.158) 4.647 6.689 ( 9.972 0.000 8.965) 13.410 7.585 ( -10.432 0.000 -4.810) 11.488 7.891 ( -3.243 0.000 -0.255) 3.253 11.496 ( -1.396 0.000 -0.778) 1.598 11.549 ( 2.068 0.000 -0.318) 2.092 13.366 ( -1.360 0.000 0.284) 1.389 13.551 ( -0.094 0.000 0.780) 0.786 14.604 ( 0.755 0.000 0.141) 0.768 14.796 ( 0.378 0.000 -0.111) 0.394 16.926 ( 0.439 0.000 0.354) 0.564 16.962 ( -0.226 0.000 -0.165) 0.280 20.717 ( 0.066 0.000 0.177) 0.189 20.719 ( 0.526 0.000 0.801) 0.959 20.724 ( 0.161 0.000 0.045) 0.168 20.764 ( -0.410 0.000 -0.905) 0.994 21.555 ( -0.604 0.000 -0.361) 0.704 21.589 ( 0.264 0.000 0.842) 0.882 21.618 ( -0.281 0.000 -1.145) 1.179 21.678 ( 0.187 0.000 -0.936) 0.954 23.246 ( -0.057 0.000 -0.030) 0.064 23.286 ( -0.111 0.000 0.004) 0.111 23.518 ( 0.020 0.000 0.028) 0.035 23.570 ( 0.026 0.000 0.018) 0.031 28.201 ( -2.832 0.000 -1.475) 3.194 28.216 ( 2.481 0.000 2.559) 3.565 28.340 ( -0.934 0.000 -1.508) 1.773 28.502 ( -0.553 0.000 -0.206) 0.590 31.770 ( 0.973 0.000 0.870) 1.306 31.797 ( -0.370 0.000 0.365) 0.520 31.825 ( 0.093 0.000 0.303) 0.317 31.834 ( -0.962 0.000 -0.085) 0.966 35.719 ( 1.525 0.000 -2.060) 2.563 36.168 ( 5.128 0.000 1.674) 5.394 36.380 ( -1.703 0.000 -4.547) 4.856 36.535 ( 3.332 0.000 1.180) 3.534 39.055 ( 1.723 0.000 1.007) 1.996 39.331 ( -1.439 0.000 -1.834) 2.331 39.866 ( -0.053 0.000 -2.800) 2.801 40.196 ( 1.348 0.000 -4.044) 4.262 42.684 ( 1.022 0.000 -0.140) 1.032 43.110 ( -0.402 0.000 -1.965) 2.006 43.195 ( -1.774 0.000 1.346) 2.227 44.171 ( -2.806 0.000 2.956) 4.076 84.982 ( -1.311 0.000 -6.964) 7.086 85.268 ( -3.017 0.000 -2.211) 3.740 85.788 ( 6.653 0.000 2.918) 7.265 87.277 ( -3.818 0.000 -3.738) 5.343 ======================= Grid point 4 (5/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.000 0.000 -0.000) 0.000 0.812 ( 0.000 0.000 0.000) 0.000 0.815 ( 0.000 0.000 0.000) 0.000 1.126 ( 0.000 0.000 0.000) 0.000 1.279 ( 0.000 0.000 0.000) 0.000 1.497 ( 0.000 0.000 -0.000) 0.000 1.534 ( 0.000 0.000 -0.000) 0.000 1.597 ( 0.000 0.000 -0.000) 0.000 1.834 ( 0.000 0.000 0.000) 0.000 2.006 ( 0.000 0.000 -0.000) 0.000 2.124 ( 0.000 0.000 -0.000) 0.000 2.150 ( 0.000 0.000 -0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 -0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 -0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 -0.000) 0.000 3.759 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 3.972 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.103 ( -0.000 0.000 -0.000) 0.000 4.422 ( 0.000 0.000 0.000) 0.000 4.492 ( -0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 5.308 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.683 ( 0.000 0.000 -0.000) 0.000 5.935 ( 0.000 0.000 -0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 6.859 ( 0.000 0.000 0.000) 0.000 7.431 ( 0.000 0.000 0.000) 0.000 7.856 ( 0.000 0.000 0.000) 0.000 11.477 ( 0.000 0.000 0.000) 0.000 11.568 ( 0.000 0.000 0.000) 0.000 13.354 ( 0.000 0.000 0.000) 0.000 13.553 ( 0.000 0.000 0.000) 0.000 14.612 ( 0.000 0.000 0.000) 0.000 14.800 ( 0.000 0.000 0.000) 0.000 16.932 ( 0.000 0.000 0.000) 0.000 16.959 ( 0.000 0.000 0.000) 0.000 20.718 ( 0.000 0.000 0.000) 0.000 20.727 ( 0.000 0.000 0.000) 0.000 20.736 ( 0.000 0.000 -0.000) 0.000 20.748 ( 0.000 0.000 0.000) 0.000 21.547 ( 0.000 0.000 0.000) 0.000 21.597 ( 0.000 0.000 0.000) 0.000 21.610 ( 0.000 0.000 0.000) 0.000 21.675 ( 0.000 0.000 0.000) 0.000 23.246 ( 0.000 0.000 0.000) 0.000 23.284 ( 0.000 0.000 0.000) 0.000 23.518 ( 0.000 0.000 0.000) 0.000 23.571 ( 0.000 0.000 0.000) 0.000 28.166 ( 0.000 0.000 0.000) 0.000 28.266 ( 0.000 0.000 0.000) 0.000 28.311 ( 0.000 0.000 0.000) 0.000 28.495 ( 0.000 0.000 0.000) 0.000 31.795 ( 0.000 0.000 -0.000) 0.000 31.795 ( 0.000 0.000 0.000) 0.000 31.813 ( 0.000 0.000 0.000) 0.000 31.827 ( 0.000 0.000 -0.000) 0.000 35.726 ( 0.000 0.000 0.000) 0.000 36.283 ( 0.000 0.000 0.000) 0.000 36.285 ( -0.000 0.000 -0.000) 0.000 36.573 ( 0.000 0.000 0.000) 0.000 39.078 ( 0.000 0.000 0.000) 0.000 39.308 ( 0.000 0.000 0.000) 0.000 39.852 ( 0.000 0.000 0.000) 0.000 40.190 ( 0.000 0.000 0.000) 0.000 42.694 ( 0.000 0.000 0.000) 0.000 43.096 ( 0.000 0.000 0.000) 0.000 43.184 ( 0.000 0.000 0.000) 0.000 44.157 ( 0.000 0.000 0.000) 0.000 84.933 ( 0.000 0.000 0.000) 0.000 85.229 ( 0.000 0.000 0.000) 0.000 85.872 ( 0.000 0.000 0.000) 0.000 87.218 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/116) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.178 ( 0.000 10.151 0.000) 10.151 0.312 ( 0.000 15.529 0.000) 15.529 0.692 ( 0.000 33.442 0.000) 33.442 0.914 ( 0.000 -0.597 0.000) 0.597 1.255 ( 0.000 7.529 0.000) 7.529 1.332 ( 0.000 0.522 0.000) 0.522 1.459 ( 0.000 -4.876 0.000) 4.876 1.588 ( 0.000 -7.015 0.000) 7.015 1.713 ( 0.000 -0.665 0.000) 0.665 1.796 ( 0.000 -3.977 0.000) 3.977 2.067 ( 0.000 8.291 0.000) 8.291 2.303 ( 0.000 -3.751 0.000) 3.751 2.538 ( 0.000 6.583 0.000) 6.583 2.652 ( 0.000 -2.972 0.000) 2.972 2.905 ( 0.000 2.764 0.000) 2.764 2.944 ( 0.000 0.543 0.000) 0.543 3.166 ( 0.000 -2.225 0.000) 2.225 3.408 ( 0.000 -3.113 0.000) 3.113 3.417 ( 0.000 -3.471 0.000) 3.471 3.470 ( 0.000 -3.379 0.000) 3.379 3.624 ( 0.000 -9.163 0.000) 9.163 3.644 ( 0.000 -0.792 0.000) 0.792 3.668 ( 0.000 -5.250 0.000) 5.250 3.849 ( 0.000 8.957 0.000) 8.957 3.983 ( 0.000 -5.774 0.000) 5.774 4.155 ( 0.000 -0.883 0.000) 0.883 4.302 ( 0.000 -1.560 0.000) 1.560 4.372 ( 0.000 0.996 0.000) 0.996 4.620 ( 0.000 0.272 0.000) 0.272 4.677 ( 0.000 -1.457 0.000) 1.457 4.692 ( 0.000 2.867 0.000) 2.867 4.921 ( 0.000 -1.064 0.000) 1.064 5.140 ( 0.000 -0.859 0.000) 0.859 5.329 ( 0.000 -0.554 0.000) 0.554 5.551 ( 0.000 -0.260 0.000) 0.260 5.555 ( 0.000 0.926 0.000) 0.926 6.180 ( 0.000 8.859 0.000) 8.859 7.009 ( 0.000 4.621 0.000) 4.621 7.706 ( 0.000 -8.207 0.000) 8.207 7.982 ( 0.000 -5.284 0.000) 5.284 11.521 ( 0.000 8.513 0.000) 8.513 11.656 ( 0.000 8.166 0.000) 8.166 13.254 ( 0.000 -15.558 0.000) 15.558 13.365 ( 0.000 -14.289 0.000) 14.289 14.778 ( 0.000 18.701 0.000) 18.701 14.989 ( 0.000 20.304 0.000) 20.304 16.888 ( 0.000 -8.795 0.000) 8.795 17.390 ( 0.000 -10.735 0.000) 10.735 20.709 ( 0.000 -0.113 0.000) 0.113 20.716 ( 0.000 -0.220 0.000) 0.220 20.732 ( 0.000 0.299 0.000) 0.299 20.762 ( 0.000 -0.039 0.000) 0.039 21.561 ( 0.000 -0.619 0.000) 0.619 21.583 ( 0.000 -1.015 0.000) 1.015 21.625 ( 0.000 0.994 0.000) 0.994 21.658 ( 0.000 0.488 0.000) 0.488 23.256 ( 0.000 0.571 0.000) 0.571 23.319 ( 0.000 0.019 0.000) 0.019 23.513 ( 0.000 -0.256 0.000) 0.256 23.562 ( 0.000 -0.679 0.000) 0.679 28.073 ( 0.000 1.035 0.000) 1.035 28.342 ( 0.000 -1.543 0.000) 1.543 28.453 ( 0.000 -1.097 0.000) 1.097 28.493 ( 0.000 -1.225 0.000) 1.225 31.785 ( 0.000 -0.270 0.000) 0.270 31.791 ( 0.000 -0.369 0.000) 0.369 31.805 ( 0.000 0.310 0.000) 0.310 31.812 ( 0.000 0.187 0.000) 0.187 35.535 ( 0.000 3.678 0.000) 3.678 36.257 ( 0.000 -3.565 0.000) 3.565 36.268 ( 0.000 0.795 0.000) 0.795 36.400 ( 0.000 -1.472 0.000) 1.472 38.964 ( 0.000 2.824 0.000) 2.824 39.475 ( 0.000 -1.001 0.000) 1.001 39.583 ( 0.000 1.519 0.000) 1.519 40.187 ( 0.000 -3.101 0.000) 3.101 42.633 ( 0.000 0.365 0.000) 0.365 42.931 ( 0.000 -5.022 0.000) 5.022 43.295 ( 0.000 4.681 0.000) 4.681 43.603 ( 0.000 -0.862 0.000) 0.862 84.864 ( 0.000 3.069 0.000) 3.069 85.194 ( 0.000 0.679 0.000) 0.679 85.349 ( 0.000 -2.834 0.000) 2.834 85.738 ( 0.000 -4.648 0.000) 4.648 ======================= Grid point 10 (7/116) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 7.634 5.298 7.003) 11.636 0.588 ( 9.714 17.082 6.341) 20.649 0.935 ( 17.515 13.935 10.563) 24.749 0.995 ( 7.407 2.380 5.366) 9.451 1.232 ( -0.970 11.454 -2.417) 11.747 1.335 ( 0.922 -2.510 -0.891) 2.818 1.489 ( 1.744 -5.600 0.724) 5.909 1.585 ( 0.586 -5.204 0.888) 5.311 1.687 ( -2.114 -0.612 -1.107) 2.464 1.771 ( -2.202 -3.489 -1.823) 4.510 2.082 ( 1.240 7.239 0.263) 7.349 2.254 ( -3.125 -1.378 -3.103) 4.614 2.325 ( -10.395 5.605 0.215) 11.812 2.559 ( -0.501 7.785 -9.428) 12.237 2.840 ( 1.888 2.172 4.158) 5.057 2.903 ( 0.039 1.873 0.900) 2.078 3.243 ( 4.016 -3.455 0.072) 5.298 3.350 ( 0.173 -8.845 1.017) 8.905 3.433 ( 3.011 -1.498 -0.055) 3.363 3.546 ( -1.872 -8.662 -0.380) 8.871 3.621 ( -0.296 -0.619 -1.023) 1.232 3.675 ( 3.403 -8.444 0.771) 9.136 3.822 ( -0.366 7.423 -1.961) 7.686 3.947 ( -3.908 -4.913 2.546) 6.774 4.161 ( 0.243 0.764 0.216) 0.830 4.182 ( 3.962 -9.630 3.359) 10.941 4.314 ( 1.284 -1.351 0.348) 1.896 4.388 ( 1.301 -0.720 -4.241) 4.495 4.570 ( -4.178 -1.182 0.520) 4.373 4.657 ( -2.778 1.938 0.051) 3.388 4.829 ( -0.329 -11.745 2.588) 12.031 4.968 ( 2.254 -4.373 1.492) 5.141 5.170 ( 3.314 -0.129 0.479) 3.351 5.374 ( 3.264 -4.454 4.814) 7.326 5.589 ( 5.651 0.163 -2.229) 6.077 5.612 ( 5.308 0.128 2.299) 5.786 6.225 ( 3.999 7.120 4.372) 9.263 6.897 ( -7.403 5.514 -4.468) 10.255 7.810 ( 0.752 -14.036 2.989) 14.370 7.966 ( -2.338 -5.664 0.964) 6.203 11.523 ( 0.944 7.700 -0.027) 7.758 11.639 ( -0.781 8.234 -0.565) 8.290 13.252 ( -0.818 -15.018 0.615) 15.053 13.364 ( -0.324 -14.768 0.819) 14.794 14.784 ( 0.555 18.758 -0.059) 18.766 14.999 ( 0.657 19.377 -0.596) 19.397 16.887 ( -0.087 -8.672 -0.116) 8.674 17.062 ( -12.172 4.436 -6.114) 14.325 20.708 ( -0.280 -0.273 0.074) 0.398 20.712 ( 0.178 0.297 -0.441) 0.560 20.726 ( -0.451 -0.047 0.225) 0.506 20.760 ( 0.348 -0.411 -0.260) 0.598 21.556 ( -0.231 -0.878 0.014) 0.908 21.592 ( 0.175 -0.642 -0.097) 0.672 21.653 ( -0.084 0.432 -0.715) 0.840 21.669 ( 1.820 -0.259 -0.090) 1.841 23.255 ( -0.021 0.542 -0.084) 0.549 23.303 ( -0.654 0.717 -0.247) 1.001 23.513 ( 0.035 -0.257 0.013) 0.260 23.562 ( 0.041 -0.666 0.002) 0.667 28.093 ( 1.365 0.786 1.392) 2.102 28.345 ( 0.843 -2.245 -2.412) 3.401 28.395 ( -3.713 -0.033 -1.349) 3.950 28.505 ( 0.465 -1.227 -0.068) 1.314 31.761 ( -1.269 -0.240 0.342) 1.336 31.799 ( -0.317 -0.543 0.285) 0.691 31.817 ( 0.550 0.174 0.595) 0.829 31.824 ( 0.796 0.051 0.428) 0.905 35.684 ( 7.675 -1.252 -0.141) 7.778 36.084 ( -2.071 3.217 -9.698) 10.425 36.322 ( 2.679 -0.894 1.205) 3.071 36.416 ( 2.706 -0.636 -2.136) 3.506 38.984 ( 1.561 2.915 0.994) 3.453 39.498 ( -1.265 4.516 -2.103) 5.140 39.761 ( 8.896 -12.342 -1.223) 15.263 40.183 ( 5.565 -3.638 -12.535) 14.189 42.643 ( 1.143 0.562 0.095) 1.277 43.097 ( 5.193 -6.773 -1.178) 8.615 43.284 ( -3.040 4.236 4.072) 6.615 43.860 ( 5.708 -19.795 19.059) 28.065 85.166 ( -0.746 0.578 -4.305) 4.407 85.331 ( 5.202 -8.532 0.524) 10.006 85.518 ( 2.626 -1.293 0.819) 3.039 86.411 ( 46.488 -56.085 16.365) 74.663 ======================= Grid point 11 (8/116) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 8.320 3.138 7.368) 11.548 0.788 ( 7.464 19.725 4.448) 21.554 1.093 ( 2.852 1.523 2.243) 3.935 1.144 ( -1.543 12.151 -0.013) 12.249 1.328 ( -0.426 -3.998 -0.530) 4.055 1.464 ( -0.169 -4.274 -0.645) 4.325 1.555 ( 17.188 0.807 10.279) 20.043 1.616 ( 1.449 1.107 -2.235) 2.885 1.676 ( -3.859 -2.488 -3.108) 5.544 1.687 ( 3.884 -2.464 2.202) 5.100 2.097 ( -1.175 2.598 0.050) 2.852 2.162 ( -2.202 4.780 -0.828) 5.328 2.217 ( -2.625 2.760 -0.088) 3.810 2.476 ( -1.666 7.243 -3.572) 8.246 2.894 ( 0.166 -1.905 1.399) 2.369 3.003 ( 6.480 1.697 5.921) 8.940 3.305 ( 2.913 -5.677 0.893) 6.443 3.346 ( -1.434 -10.594 0.357) 10.697 3.471 ( -0.163 -2.997 -2.392) 3.838 3.523 ( 1.407 -4.728 -0.682) 4.980 3.592 ( -1.207 -2.245 -2.406) 3.505 3.738 ( -1.089 -6.360 0.296) 6.460 3.783 ( 0.550 2.695 -0.650) 2.826 3.891 ( -2.931 0.694 1.651) 3.434 4.144 ( -2.921 3.999 0.562) 4.984 4.158 ( -3.462 -3.141 -2.343) 5.229 4.322 ( -2.413 -0.015 -5.010) 5.561 4.359 ( 2.911 -1.154 0.122) 3.134 4.502 ( -2.552 -2.559 -0.366) 3.633 4.599 ( -3.064 0.577 -0.276) 3.130 4.734 ( -7.184 -6.729 -1.421) 9.945 4.934 ( -3.447 -1.301 -0.399) 3.706 5.253 ( 4.508 1.143 0.009) 4.650 5.441 ( 0.879 0.331 2.996) 3.140 5.694 ( 6.057 -2.262 -1.640) 6.671 5.754 ( 5.811 0.274 1.073) 5.916 6.422 ( 9.376 3.258 8.976) 13.382 6.700 ( -7.864 5.634 -4.438) 10.643 7.734 ( -7.830 -8.944 -1.817) 12.026 7.906 ( -4.305 -6.062 0.264) 7.440 11.558 ( 2.454 6.090 -0.080) 6.566 11.617 ( -1.072 8.382 -0.685) 8.478 13.228 ( -1.942 -14.680 0.236) 14.810 13.375 ( 0.340 -14.803 1.449) 14.878 14.796 ( 0.790 18.777 -0.015) 18.794 14.999 ( 0.110 18.786 -0.605) 18.796 16.880 ( -0.445 -7.845 -0.318) 7.864 16.913 ( -2.438 -2.373 -1.249) 3.624 20.704 ( -0.071 -0.346 0.260) 0.438 20.718 ( 0.631 0.460 -0.276) 0.828 20.721 ( -0.346 -0.209 0.474) 0.623 20.764 ( 0.305 -0.606 -0.542) 0.869 21.552 ( -0.154 -0.943 -0.180) 0.972 21.591 ( -0.143 0.056 0.059) 0.164 21.639 ( -0.413 0.422 -1.103) 1.251 21.684 ( 0.543 0.245 -0.783) 0.984 23.253 ( -0.078 0.524 -0.056) 0.533 23.294 ( -0.307 0.456 -0.051) 0.552 23.514 ( 0.055 -0.234 0.035) 0.242 23.563 ( 0.050 -0.641 0.016) 0.643 28.144 ( 2.156 0.100 2.202) 3.083 28.291 ( -3.583 -0.268 -2.483) 4.368 28.347 ( -0.610 -1.190 -0.926) 1.627 28.504 ( -0.361 -1.195 -0.229) 1.269 31.751 ( -0.196 -0.220 0.743) 0.800 31.796 ( -0.389 -0.490 0.557) 0.838 31.825 ( 0.129 0.443 0.414) 0.620 31.839 ( 0.095 -0.087 0.396) 0.416 35.753 ( 2.257 3.310 -2.703) 4.833 36.062 ( 4.382 -0.472 -2.549) 5.091 36.385 ( 2.453 -2.518 -0.947) 3.641 36.455 ( 3.203 0.280 -0.693) 3.289 39.036 ( 2.562 3.250 1.419) 4.375 39.434 ( -2.754 4.274 -2.534) 5.681 39.833 ( 2.527 -6.306 -2.927) 7.397 40.168 ( 3.231 -3.991 -8.421) 9.863 42.672 ( 1.593 1.092 0.038) 1.932 43.120 ( 1.154 -2.186 -3.540) 4.318 43.256 ( -3.287 3.303 3.101) 5.597 44.016 ( -1.018 -15.644 9.160) 18.157 85.090 ( -1.304 0.776 -7.616) 7.766 85.333 ( -2.797 -3.983 -3.122) 5.782 85.606 ( 7.052 -0.256 2.711) 7.560 86.975 ( 11.095 -34.805 1.602) 36.566 ======================= Grid point 12 (9/116) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 6.289 3.467 5.613) 9.115 0.948 ( 5.578 18.343 2.490) 19.334 1.050 ( -2.331 16.424 -1.526) 16.659 1.218 ( 2.871 0.397 -2.307) 3.705 1.252 ( -5.298 0.573 1.831) 5.635 1.405 ( -2.224 -6.775 -0.530) 7.151 1.542 ( -1.801 -1.635 -3.179) 4.003 1.610 ( -1.356 -2.587 0.354) 2.942 1.796 ( 4.155 -0.204 1.185) 4.325 1.975 ( 12.442 -1.591 5.119) 13.548 2.048 ( -2.404 1.045 -0.057) 2.622 2.166 ( 1.797 4.944 -1.160) 5.387 2.192 ( -1.128 3.653 1.376) 4.063 2.436 ( -0.932 6.943 0.152) 7.007 2.914 ( 0.489 -3.945 1.919) 4.414 3.152 ( 3.473 0.008 2.925) 4.540 3.318 ( -0.569 -9.903 -0.731) 9.947 3.384 ( 3.235 -7.984 1.194) 8.697 3.438 ( -0.440 -3.572 -0.362) 3.617 3.511 ( -4.817 -4.609 -2.880) 7.262 3.542 ( 0.836 -4.624 0.756) 4.760 3.682 ( -0.730 -0.818 -0.022) 1.096 3.826 ( 1.613 -0.772 -0.454) 1.845 3.874 ( -0.636 3.863 1.935) 4.367 4.053 ( -3.703 -2.090 -3.806) 5.707 4.074 ( -4.106 4.715 0.008) 6.252 4.228 ( -2.299 2.121 -5.923) 6.698 4.400 ( 0.786 -0.723 -0.060) 1.070 4.465 ( -1.398 -3.737 0.314) 4.003 4.547 ( -1.147 -2.194 -0.975) 2.661 4.613 ( -3.576 -1.417 -0.215) 3.852 4.870 ( -2.846 -2.406 0.125) 3.729 5.323 ( 2.570 2.532 -0.039) 3.608 5.490 ( 1.720 1.727 2.302) 3.353 5.730 ( 0.923 -0.058 -3.846) 3.956 5.871 ( 4.474 -0.068 2.258) 5.012 6.538 ( -4.283 4.363 -2.165) 6.486 6.710 ( 9.810 2.545 8.560) 13.266 7.530 ( -9.376 -5.405 -4.326) 11.655 7.828 ( -3.321 -6.261 -0.350) 7.096 11.586 ( -0.964 8.376 -0.683) 8.459 11.602 ( 1.695 6.048 -0.001) 6.281 13.194 ( -1.556 -15.179 -0.000) 15.258 13.395 ( 0.362 -13.967 1.118) 14.017 14.811 ( 0.629 18.585 0.059) 18.596 14.996 ( 0.050 18.053 -0.290) 18.055 16.868 ( -0.336 -6.818 -0.207) 6.830 16.889 ( -0.327 -6.578 -0.148) 6.587 20.709 ( 0.184 -0.419 0.314) 0.555 20.721 ( -0.143 -0.385 0.378) 0.558 20.730 ( 0.660 0.629 0.212) 0.936 20.760 ( -0.138 -0.213 -0.755) 0.797 21.547 ( -0.152 -0.538 -0.296) 0.633 21.591 ( 0.021 -0.159 0.194) 0.252 21.621 ( -0.449 0.355 -0.843) 1.019 21.683 ( 0.117 0.319 -0.674) 0.755 23.252 ( -0.065 0.508 -0.024) 0.513 23.289 ( -0.158 0.312 -0.010) 0.350 23.516 ( 0.039 -0.196 0.028) 0.202 23.564 ( 0.033 -0.622 0.016) 0.623 28.201 ( 0.008 -0.478 0.952) 1.065 28.216 ( -0.393 0.421 -0.367) 0.683 28.323 ( -0.995 -1.424 -1.000) 2.004 28.493 ( -0.444 -0.964 -0.155) 1.072 31.766 ( 0.864 -0.293 0.946) 1.315 31.795 ( -0.271 -0.244 0.425) 0.560 31.831 ( 0.065 0.378 0.245) 0.455 31.833 ( -0.837 0.041 -0.108) 0.844 35.763 ( 1.419 4.199 -2.018) 4.869 36.156 ( 5.177 -1.123 1.812) 5.599 36.368 ( -1.447 -1.010 -3.855) 4.240 36.522 ( 2.875 -1.399 0.808) 3.297 39.097 ( 2.336 4.077 1.074) 4.820 39.362 ( -2.305 3.029 -1.833) 4.225 39.839 ( 1.179 -2.678 -2.622) 3.929 40.154 ( 1.107 -4.086 -3.475) 5.476 42.698 ( 1.069 1.439 -0.017) 1.792 43.101 ( -0.288 -1.072 -1.681) 2.014 43.224 ( -1.837 2.741 1.018) 3.453 44.044 ( -1.340 -11.615 3.447) 12.189 84.994 ( -1.281 1.243 -6.472) 6.713 85.249 ( -2.466 -1.763 -2.049) 3.659 85.772 ( 6.389 -1.160 2.664) 7.018 87.061 ( 0.720 -19.798 -1.060) 19.840 ======================= Grid point 13 (10/116) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.000 2.984 0.000) 2.984 1.016 ( 0.000 19.777 -0.000) 19.777 1.023 ( 0.000 19.203 0.000) 19.203 1.139 ( 0.000 1.384 0.000) 1.384 1.282 ( 0.000 0.133 0.000) 0.133 1.379 ( 0.000 -7.425 0.000) 7.425 1.511 ( 0.000 -1.928 0.000) 1.928 1.601 ( 0.000 -2.754 0.000) 2.754 1.843 ( 0.000 0.680 0.000) 0.680 2.022 ( 0.000 1.163 -0.000) 1.163 2.113 ( 0.000 -3.195 -0.000) 3.195 2.181 ( 0.000 1.344 -0.000) 1.344 2.189 ( -0.000 6.710 0.000) 6.710 2.432 ( 0.000 6.836 -0.000) 6.836 2.932 ( 0.000 -4.887 0.000) 4.887 3.190 ( 0.000 -1.308 0.000) 1.308 3.319 ( 0.000 -8.981 0.000) 8.981 3.412 ( -0.000 -2.245 -0.000) 2.245 3.416 ( 0.000 -6.376 0.000) 6.376 3.457 ( 0.000 -10.447 0.000) 10.447 3.565 ( 0.000 -3.730 0.000) 3.730 3.695 ( -0.000 -0.727 -0.000) 0.727 3.829 ( 0.000 -1.723 0.000) 1.723 3.899 ( 0.000 7.023 0.000) 7.023 3.977 ( 0.000 -3.721 0.000) 3.721 4.023 ( 0.000 4.512 0.000) 4.512 4.166 ( 0.000 5.048 -0.000) 5.048 4.400 ( 0.000 -1.943 0.000) 1.943 4.454 ( 0.000 -3.421 0.000) 3.421 4.544 ( 0.000 -0.649 0.000) 0.649 4.579 ( 0.000 -1.528 0.000) 1.528 4.841 ( 0.000 -3.056 0.000) 3.056 5.346 ( 0.000 3.580 0.000) 3.580 5.527 ( 0.000 0.327 0.000) 0.327 5.709 ( 0.000 2.359 -0.000) 2.359 5.929 ( 0.000 -0.633 -0.000) 0.633 6.485 ( 0.000 3.969 0.000) 3.969 6.880 ( 0.000 2.302 0.000) 2.302 7.386 ( 0.000 -4.442 0.000) 4.442 7.792 ( 0.000 -6.317 0.000) 6.317 11.571 ( 0.000 9.020 0.000) 9.020 11.621 ( 0.000 5.584 0.000) 5.584 13.178 ( 0.000 -15.478 0.000) 15.478 13.404 ( 0.000 -13.529 0.000) 13.529 14.818 ( 0.000 18.459 0.000) 18.459 14.995 ( 0.000 17.730 0.000) 17.730 16.864 ( 0.000 -7.175 0.000) 7.175 16.886 ( 0.000 -7.010 0.000) 7.010 20.713 ( 0.000 -0.372 0.000) 0.372 20.722 ( 0.000 -0.583 0.000) 0.583 20.744 ( -0.000 0.606 -0.000) 0.606 20.748 ( 0.000 0.164 0.000) 0.164 21.544 ( 0.000 -0.295 0.000) 0.295 21.593 ( 0.000 -0.507 0.000) 0.507 21.612 ( 0.000 0.353 0.000) 0.353 21.680 ( 0.000 0.381 0.000) 0.381 23.251 ( 0.000 0.502 0.000) 0.502 23.288 ( 0.000 0.274 0.000) 0.274 23.516 ( 0.000 -0.179 0.000) 0.179 23.564 ( 0.000 -0.615 0.000) 0.615 28.177 ( 0.000 0.986 0.000) 0.986 28.247 ( 0.000 -1.661 0.000) 1.661 28.301 ( 0.000 -0.878 0.000) 0.878 28.488 ( 0.000 -0.850 0.000) 0.850 31.789 ( -0.000 -0.512 -0.000) 0.512 31.793 ( 0.000 -0.194 0.000) 0.194 31.815 ( 0.000 0.233 0.000) 0.233 31.833 ( 0.000 0.451 -0.000) 0.451 35.768 ( 0.000 4.072 0.000) 4.072 36.263 ( 0.000 -2.104 0.000) 2.104 36.287 ( -0.000 0.482 -0.000) 0.482 36.555 ( 0.000 -1.809 0.000) 1.809 39.128 ( 0.000 4.907 0.000) 4.907 39.328 ( 0.000 1.988 -0.000) 1.988 39.837 ( 0.000 -1.504 0.000) 1.504 40.148 ( 0.000 -4.086 0.000) 4.086 42.708 ( 0.000 1.521 -0.000) 1.521 43.089 ( 0.000 -0.848 0.000) 0.848 43.211 ( -0.000 2.592 0.000) 2.592 44.046 ( 0.000 -10.443 0.000) 10.443 84.948 ( 0.000 1.521 0.000) 1.521 85.216 ( 0.000 -1.325 0.000) 1.325 85.852 ( 0.000 -1.449 0.000) 1.449 87.054 ( 0.000 -15.497 0.000) 15.497 ======================= Grid point 18 (11/116) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 0.000 13.245 0.000) 13.245 0.615 ( 0.000 14.783 0.000) 14.783 0.902 ( 0.000 -0.350 0.000) 0.350 1.072 ( 0.000 -4.364 0.000) 4.364 1.283 ( 0.000 -10.831 0.000) 10.831 1.372 ( 0.000 -1.234 0.000) 1.234 1.447 ( 0.000 17.820 0.000) 17.820 1.684 ( 0.000 21.645 0.000) 21.645 1.698 ( 0.000 -1.056 0.000) 1.056 1.716 ( 0.000 -2.238 0.000) 2.238 2.243 ( 0.000 1.249 0.000) 1.249 2.281 ( 0.000 8.887 0.000) 8.887 2.575 ( 0.000 -4.478 0.000) 4.478 2.669 ( 0.000 5.934 0.000) 5.934 2.908 ( 0.000 -2.888 0.000) 2.888 2.980 ( 0.000 1.936 0.000) 1.936 3.071 ( 0.000 -9.007 0.000) 9.007 3.222 ( 0.000 -15.951 0.000) 15.951 3.360 ( 0.000 -0.360 0.000) 0.360 3.411 ( 0.000 -2.595 0.000) 2.595 3.416 ( 0.000 -8.924 0.000) 8.924 3.603 ( 0.000 -0.828 0.000) 0.828 3.633 ( 0.000 -0.459 0.000) 0.459 3.828 ( 0.000 -9.401 0.000) 9.401 4.025 ( 0.000 8.226 0.000) 8.226 4.153 ( 0.000 1.086 0.000) 1.086 4.263 ( 0.000 -2.293 0.000) 2.293 4.372 ( 0.000 -1.297 0.000) 1.297 4.625 ( 0.000 0.207 0.000) 0.207 4.648 ( 0.000 -1.216 0.000) 1.216 4.756 ( 0.000 3.298 0.000) 3.298 4.896 ( 0.000 -1.367 0.000) 1.367 5.126 ( 0.000 -0.146 0.000) 0.146 5.294 ( 0.000 -3.202 0.000) 3.202 5.555 ( 0.000 0.775 0.000) 0.775 5.575 ( 0.000 0.867 0.000) 0.867 6.430 ( 0.000 15.651 0.000) 15.651 7.146 ( 0.000 9.007 0.000) 9.007 7.476 ( 0.000 -14.399 0.000) 14.399 7.829 ( 0.000 -9.801 0.000) 9.801 11.759 ( 0.000 14.943 0.000) 14.943 11.889 ( 0.000 14.914 0.000) 14.914 12.894 ( 0.000 -19.686 0.000) 19.686 13.022 ( 0.000 -19.080 0.000) 19.080 15.234 ( 0.000 25.545 0.000) 25.545 15.479 ( 0.000 27.579 0.000) 27.579 16.633 ( 0.000 -16.556 0.000) 16.556 17.080 ( 0.000 -19.981 0.000) 19.981 20.707 ( 0.000 -0.076 0.000) 0.076 20.712 ( 0.000 -0.189 0.000) 0.189 20.739 ( 0.000 0.374 0.000) 0.374 20.760 ( 0.000 -0.196 0.000) 0.196 21.549 ( 0.000 -0.481 0.000) 0.481 21.565 ( 0.000 -0.863 0.000) 0.863 21.644 ( 0.000 0.871 0.000) 0.871 21.667 ( 0.000 0.284 0.000) 0.284 23.271 ( 0.000 0.967 0.000) 0.967 23.318 ( 0.000 -0.202 0.000) 0.202 23.508 ( 0.000 -0.152 0.000) 0.152 23.544 ( 0.000 -1.043 0.000) 1.043 28.104 ( 0.000 2.148 0.000) 2.148 28.295 ( 0.000 -3.024 0.000) 3.024 28.430 ( 0.000 -0.967 0.000) 0.967 28.463 ( 0.000 -1.692 0.000) 1.692 31.779 ( 0.000 -0.225 0.000) 0.225 31.784 ( 0.000 -0.336 0.000) 0.336 31.811 ( 0.000 0.253 0.000) 0.253 31.815 ( 0.000 0.127 0.000) 0.127 35.641 ( 0.000 6.855 0.000) 6.855 36.149 ( 0.000 -7.172 0.000) 7.172 36.288 ( 0.000 1.168 0.000) 1.168 36.368 ( 0.000 -1.589 0.000) 1.589 39.044 ( 0.000 5.115 0.000) 5.115 39.411 ( 0.000 -4.997 0.000) 4.997 39.663 ( 0.000 6.031 0.000) 6.031 40.097 ( 0.000 -5.812 0.000) 5.812 42.646 ( 0.000 1.067 0.000) 1.067 42.827 ( 0.000 -5.049 0.000) 5.049 43.391 ( 0.000 4.630 0.000) 4.630 43.577 ( 0.000 -1.696 0.000) 1.696 84.950 ( 0.000 5.252 0.000) 5.252 85.223 ( 0.000 2.484 0.000) 2.484 85.273 ( 0.000 -4.644 0.000) 4.644 85.611 ( 0.000 -7.740 0.000) 7.740 ======================= Grid point 19 (12/116) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 3.598 9.880 4.624) 11.487 0.835 ( 13.752 9.382 6.414) 17.840 0.979 ( 4.726 -0.143 5.001) 6.882 1.123 ( 4.202 -5.502 0.230) 6.927 1.307 ( 2.412 -10.052 0.172) 10.338 1.432 ( 4.717 3.260 3.920) 6.946 1.488 ( 3.711 11.182 -0.244) 11.784 1.612 ( -2.641 12.911 -1.679) 13.285 1.672 ( -2.336 1.860 -2.461) 3.869 1.730 ( -0.308 6.134 0.607) 6.172 2.215 ( -2.258 1.783 -1.752) 3.368 2.293 ( 0.321 8.632 0.957) 8.691 2.424 ( -9.122 3.240 -0.354) 9.687 2.688 ( 0.707 4.682 -4.740) 6.700 2.885 ( -0.856 0.967 2.520) 2.831 2.949 ( -1.731 1.973 1.279) 2.920 3.090 ( 1.755 -11.198 -2.014) 11.512 3.168 ( -2.359 -12.358 -0.956) 12.617 3.322 ( -0.022 -8.909 -0.267) 8.913 3.401 ( 1.482 -3.437 1.049) 3.887 3.492 ( 5.526 -5.800 0.799) 8.050 3.617 ( -1.252 -1.267 -1.243) 2.171 3.771 ( -2.385 -7.305 2.351) 8.036 3.951 ( 10.087 -10.989 2.774) 15.172 4.027 ( 0.496 8.097 0.869) 8.159 4.177 ( 2.638 1.232 -0.620) 2.976 4.278 ( 1.730 -2.166 -0.235) 2.782 4.375 ( 0.515 -1.297 -1.175) 1.825 4.559 ( -6.539 0.205 1.298) 6.670 4.670 ( -1.271 -3.535 1.044) 3.899 4.709 ( -3.998 2.097 0.755) 4.577 4.903 ( -0.123 -3.077 0.971) 3.229 5.171 ( 4.816 0.411 0.102) 4.834 5.305 ( 2.395 -3.261 0.710) 4.108 5.608 ( 3.952 1.265 -0.590) 4.191 5.621 ( 4.863 0.624 2.121) 5.342 6.454 ( 1.745 15.015 2.890) 15.390 7.047 ( -7.021 9.278 -3.746) 12.223 7.522 ( 1.379 -15.167 2.006) 15.361 7.803 ( -2.835 -10.441 0.032) 10.819 11.756 ( -0.229 15.098 -0.013) 15.100 11.873 ( -0.990 14.852 -0.459) 14.892 12.901 ( -0.074 -19.359 0.598) 19.369 13.011 ( -0.787 -19.484 0.360) 19.503 15.239 ( 0.546 25.484 -0.062) 25.490 15.474 ( -0.339 26.815 -0.625) 26.825 16.634 ( 0.138 -16.421 -0.007) 16.421 16.948 ( -8.299 -14.296 -4.549) 17.145 20.702 ( -0.352 -0.175 -0.140) 0.417 20.713 ( 0.152 -0.276 -0.226) 0.388 20.731 ( -0.375 0.574 -0.134) 0.698 20.757 ( 0.049 -0.107 -0.306) 0.327 21.544 ( -0.068 -0.323 -0.376) 0.500 21.575 ( 0.652 -0.997 -0.208) 1.209 21.662 ( 0.093 0.431 -0.277) 0.521 21.668 ( 1.119 0.093 0.380) 1.185 23.270 ( -0.094 0.936 -0.023) 0.941 23.311 ( -0.487 0.061 -0.140) 0.511 23.508 ( 0.054 -0.136 0.002) 0.146 23.544 ( 0.066 -1.032 0.006) 1.034 28.117 ( 0.914 1.730 0.868) 2.141 28.290 ( -0.079 -3.199 -1.332) 3.466 28.395 ( -2.566 0.090 -0.593) 2.635 28.470 ( 0.198 -2.099 0.044) 2.109 31.757 ( -1.202 -0.064 0.444) 1.283 31.787 ( -0.449 -0.689 0.153) 0.836 31.823 ( 0.880 0.343 0.548) 1.092 31.826 ( 0.512 0.135 0.312) 0.614 35.724 ( 6.293 4.597 1.310) 7.902 36.098 ( -2.150 -2.325 -4.069) 5.156 36.290 ( 1.362 -0.852 -0.072) 1.608 36.396 ( 3.015 -1.522 -1.419) 3.663 39.069 ( 1.936 5.491 1.099) 5.925 39.533 ( 9.246 -8.886 0.393) 12.830 39.626 ( -2.747 6.357 -1.689) 7.128 40.086 ( 1.796 -6.072 -5.948) 8.688 42.665 ( 1.662 1.737 0.647) 2.489 42.943 ( 6.857 -7.715 2.895) 10.720 43.376 ( -2.674 4.553 2.228) 5.731 43.622 ( 1.457 -6.523 6.095) 9.045 85.185 ( 1.190 0.387 -0.794) 1.482 85.192 ( 6.346 -2.925 -0.613) 7.015 85.461 ( 8.806 -3.906 4.291) 10.546 85.746 ( 21.036 -18.061 7.831) 28.810 ======================= Grid point 20 (13/116) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 7.024 6.034 6.935) 11.569 1.056 ( 6.150 -1.909 3.209) 7.195 1.177 ( 5.697 9.096 3.303) 11.230 1.188 ( 5.026 0.489 2.024) 5.440 1.355 ( 1.704 -6.146 -0.080) 6.378 1.465 ( -2.175 5.857 -4.793) 7.874 1.579 ( -0.625 -3.624 -0.151) 3.681 1.622 ( 5.243 -2.612 -0.161) 5.859 1.680 ( 1.551 15.764 2.429) 16.025 1.731 ( 6.582 11.038 3.419) 13.298 2.137 ( -3.794 1.881 -0.761) 4.302 2.263 ( -4.036 3.633 0.441) 5.448 2.347 ( -0.024 9.942 1.557) 10.063 2.639 ( -0.752 7.829 -3.447) 8.587 2.868 ( -2.703 -0.758 1.467) 3.168 3.018 ( 4.553 -1.760 4.153) 6.408 3.098 ( 0.651 -14.288 -1.323) 14.364 3.110 ( -2.254 -13.536 -1.274) 13.781 3.340 ( 1.104 -7.238 0.851) 7.371 3.440 ( 1.557 -3.355 -0.618) 3.750 3.545 ( -2.875 -4.411 -3.051) 6.085 3.607 ( 2.848 -4.575 1.301) 5.544 3.731 ( -1.921 -2.749 1.858) 3.834 3.990 ( -1.047 -2.293 -2.049) 3.249 4.068 ( 0.315 1.872 0.398) 1.940 4.222 ( 1.919 3.045 -0.667) 3.660 4.324 ( 3.283 -2.173 -0.626) 3.986 4.328 ( -3.627 0.701 -3.141) 4.849 4.450 ( -4.392 -2.354 0.248) 4.989 4.611 ( -5.613 -4.875 1.290) 7.546 4.619 ( -4.644 1.563 -0.059) 4.900 4.871 ( -3.847 -4.541 0.260) 5.957 5.280 ( 6.255 1.491 -0.954) 6.500 5.416 ( 5.856 -2.682 2.683) 6.978 5.681 ( 4.542 1.174 -0.982) 4.793 5.757 ( 5.802 -0.060 2.379) 6.271 6.569 ( 5.849 11.255 6.364) 14.191 6.862 ( -7.756 10.284 -3.781) 13.425 7.507 ( -3.870 -13.057 -0.511) 13.628 7.728 ( -4.411 -11.522 -0.506) 12.348 11.758 ( 0.564 13.792 -0.106) 13.804 11.855 ( -0.577 15.165 -0.122) 15.176 12.881 ( -2.074 -19.242 -0.358) 19.357 13.020 ( 0.719 -19.767 1.701) 19.853 15.251 ( 0.685 25.394 -0.071) 25.403 15.455 ( -0.707 25.579 -0.892) 25.604 16.636 ( 0.100 -16.081 -0.034) 16.081 16.782 ( -4.877 -11.737 -2.839) 13.023 20.697 ( -0.017 -0.290 0.032) 0.292 20.712 ( -0.167 -0.550 0.108) 0.584 20.731 ( 0.461 0.750 -0.053) 0.882 20.758 ( 0.335 -0.115 -0.377) 0.518 21.541 ( 0.177 -0.178 -0.534) 0.590 21.580 ( 0.337 -0.929 -0.536) 1.124 21.651 ( -0.579 0.715 -0.561) 1.078 21.686 ( 0.364 -0.120 -0.105) 0.397 23.268 ( -0.134 0.874 -0.025) 0.885 23.301 ( -0.404 0.195 -0.074) 0.455 23.510 ( 0.098 -0.108 0.028) 0.149 23.546 ( 0.082 -1.001 0.017) 1.004 28.151 ( 1.361 0.610 1.336) 2.002 28.263 ( -1.067 -2.384 -2.071) 3.333 28.341 ( -2.397 0.805 -0.176) 2.535 28.468 ( -0.337 -2.313 -0.036) 2.338 31.748 ( -0.266 0.011 0.895) 0.933 31.784 ( -0.254 -0.736 0.639) 1.007 31.833 ( 0.138 0.296 0.267) 0.421 31.840 ( 0.201 0.167 0.369) 0.452 35.837 ( 4.265 4.863 -0.668) 6.503 36.056 ( 1.686 -0.424 -1.793) 2.498 36.337 ( 2.955 -1.905 -0.557) 3.560 36.437 ( 2.317 -2.044 -1.054) 3.265 39.132 ( 3.257 6.242 1.458) 7.190 39.537 ( -4.323 4.228 -1.726) 6.288 39.688 ( 7.140 -6.074 -2.047) 9.595 40.061 ( 1.423 -6.631 -5.722) 8.873 42.710 ( 2.067 2.876 0.649) 3.601 43.045 ( 2.824 -5.458 -0.830) 6.201 43.336 ( -3.236 4.360 1.781) 5.715 43.714 ( 1.117 -12.654 6.862) 14.438 85.115 ( -1.402 1.733 -6.440) 6.815 85.253 ( -0.563 -3.418 -1.902) 3.952 85.600 ( 7.557 0.171 2.417) 7.936 86.304 ( 19.874 -28.941 8.079) 36.025 ======================= Grid point 21 (14/116) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 6.595 5.312 6.003) 10.380 1.179 ( 0.132 -0.313 1.297) 1.341 1.201 ( 4.755 -2.568 1.575) 5.629 1.317 ( -2.274 -0.122 -3.896) 4.512 1.365 ( 3.609 12.336 2.623) 13.118 1.424 ( 1.774 10.460 -1.107) 10.667 1.510 ( -2.209 -4.452 -2.284) 5.469 1.618 ( -2.627 15.244 -0.555) 15.479 1.791 ( 6.201 1.005 1.543) 6.469 1.952 ( 7.397 0.217 3.377) 8.134 2.077 ( -2.315 2.367 0.255) 3.320 2.209 ( -1.370 0.646 -0.674) 1.658 2.369 ( -0.017 11.607 2.317) 11.836 2.613 ( -0.045 9.801 -0.730) 9.828 2.837 ( -1.964 -3.841 1.888) 4.708 3.042 ( -2.170 -18.150 -1.376) 18.331 3.080 ( 0.919 -11.747 -1.339) 11.859 3.172 ( 3.966 -6.327 3.012) 8.052 3.363 ( 0.348 -5.700 0.173) 5.713 3.431 ( -4.067 -6.246 -1.373) 7.579 3.446 ( -0.774 -0.885 -1.447) 1.864 3.654 ( 1.416 -1.572 1.389) 2.531 3.747 ( 1.207 -2.808 0.976) 3.209 3.926 ( -2.522 -5.881 -3.219) 7.164 4.070 ( -0.128 7.615 0.501) 7.633 4.181 ( -4.979 5.369 0.082) 7.323 4.269 ( 1.217 1.206 -4.826) 5.121 4.368 ( -1.412 -4.949 -0.043) 5.147 4.393 ( 0.819 0.061 0.299) 0.874 4.520 ( -3.357 -0.643 0.941) 3.545 4.565 ( -1.796 -3.047 -0.049) 3.537 4.791 ( -3.874 -5.291 -0.085) 6.558 5.382 ( 4.800 3.098 -0.466) 5.732 5.514 ( 2.335 0.048 0.845) 2.483 5.745 ( 2.777 1.844 -1.055) 3.497 5.864 ( 3.391 -0.733 1.901) 3.956 6.671 ( -3.480 8.805 -1.375) 9.567 6.813 ( 6.658 8.002 6.451) 12.247 7.380 ( -6.874 -9.245 -3.381) 12.007 7.647 ( -3.138 -11.603 -0.511) 12.030 11.769 ( 0.574 11.835 -0.265) 11.852 11.847 ( -0.236 16.260 0.144) 16.263 12.835 ( -1.866 -19.681 -0.480) 19.775 13.053 ( 0.800 -19.491 1.414) 19.558 15.262 ( 0.486 25.265 -0.023) 25.270 15.436 ( -0.497 24.625 -0.568) 24.637 16.637 ( -0.028 -15.679 -0.074) 15.679 16.706 ( -1.676 -12.624 -1.010) 12.775 20.701 ( 0.229 -0.389 0.151) 0.476 20.710 ( -0.205 -0.595 0.213) 0.665 20.743 ( 0.675 0.715 0.122) 0.991 20.760 ( 0.179 0.146 -0.346) 0.417 21.540 ( 0.175 -0.077 -0.451) 0.490 21.579 ( 0.090 -0.921 -0.495) 1.049 21.634 ( -0.640 0.910 -0.399) 1.182 21.686 ( -0.052 -0.134 -0.260) 0.297 23.265 ( -0.094 0.825 -0.014) 0.830 23.295 ( -0.216 0.179 -0.024) 0.282 23.512 ( 0.074 -0.076 0.026) 0.109 23.547 ( 0.054 -0.970 0.016) 0.971 28.186 ( 0.881 -0.692 1.289) 1.708 28.222 ( -0.943 -0.499 -1.779) 2.074 28.305 ( -1.358 0.399 0.050) 1.416 28.460 ( -0.345 -2.322 -0.018) 2.347 31.762 ( 0.637 -0.095 1.012) 1.200 31.787 ( -0.136 -0.532 0.613) 0.823 31.832 ( -0.428 0.172 -0.149) 0.485 31.841 ( -0.103 0.357 0.131) 0.394 35.873 ( 1.433 6.379 -1.715) 6.760 36.127 ( 4.704 -1.772 1.631) 5.285 36.349 ( -0.684 -0.679 -2.430) 2.614 36.475 ( 2.068 -3.293 0.277) 3.898 39.210 ( 3.526 6.993 1.130) 7.912 39.440 ( -3.969 4.153 -1.495) 5.937 39.771 ( 3.893 -3.453 -2.282) 5.682 40.039 ( 0.378 -7.186 -2.506) 7.619 42.746 ( 1.188 3.480 0.268) 3.687 43.059 ( 0.215 -3.424 -0.948) 3.559 43.297 ( -1.813 4.373 0.609) 4.773 43.774 ( 0.227 -13.756 3.457) 14.186 85.031 ( -1.229 2.425 -5.221) 5.887 85.204 ( -1.598 -2.662 -1.969) 3.677 85.769 ( 6.425 1.686 2.470) 7.086 86.594 ( 6.887 -24.584 2.640) 25.667 ======================= Grid point 22 (15/116) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -0.000 5.924 0.000) 5.924 1.185 ( -0.000 3.243 -0.000) 3.243 1.242 ( 0.000 -3.329 0.000) 3.329 1.278 ( -0.000 -0.609 0.000) 0.609 1.392 ( 0.000 1.871 -0.000) 1.871 1.460 ( 0.000 13.416 0.000) 13.416 1.481 ( 0.000 6.743 0.000) 6.743 1.586 ( 0.000 15.220 0.000) 15.220 1.863 ( 0.000 2.260 0.000) 2.260 2.034 ( 0.000 -4.428 -0.000) 4.428 2.055 ( 0.000 2.890 -0.000) 2.890 2.194 ( 0.000 -0.858 0.000) 0.858 2.382 ( 0.000 12.208 0.000) 12.208 2.612 ( 0.000 10.350 0.000) 10.350 2.828 ( 0.000 -5.650 0.000) 5.650 3.013 ( 0.000 -18.887 0.000) 18.887 3.080 ( 0.000 -13.428 0.000) 13.428 3.233 ( 0.000 -6.723 0.000) 6.723 3.355 ( 0.000 -3.504 -0.000) 3.504 3.367 ( 0.000 -3.825 0.000) 3.825 3.449 ( 0.000 -4.721 0.000) 4.721 3.680 ( 0.000 -0.690 -0.000) 0.690 3.770 ( 0.000 -2.614 0.000) 2.614 3.874 ( 0.000 -6.434 0.000) 6.434 4.074 ( 0.000 9.110 0.000) 9.110 4.123 ( 0.000 4.681 0.000) 4.681 4.246 ( 0.000 1.312 -0.000) 1.312 4.358 ( 0.000 -1.782 -0.000) 1.782 4.401 ( 0.000 0.033 0.000) 0.033 4.511 ( 0.000 -2.785 0.000) 2.785 4.541 ( 0.000 -2.190 0.000) 2.190 4.749 ( 0.000 -5.963 0.000) 5.963 5.431 ( 0.000 4.342 0.000) 4.342 5.534 ( 0.000 0.273 0.000) 0.273 5.766 ( 0.000 3.060 0.000) 3.060 5.909 ( 0.000 -1.401 0.000) 1.401 6.617 ( 0.000 9.279 0.000) 9.279 6.959 ( 0.000 5.852 0.000) 5.852 7.260 ( 0.000 -8.117 0.000) 8.117 7.613 ( 0.000 -11.305 0.000) 11.305 11.772 ( 0.000 11.311 0.000) 11.311 11.847 ( 0.000 16.585 0.000) 16.585 12.814 ( 0.000 -19.883 0.000) 19.883 13.068 ( 0.000 -19.366 0.000) 19.366 15.267 ( 0.000 25.195 0.000) 25.195 15.429 ( 0.000 24.260 0.000) 24.260 16.635 ( 0.000 -15.481 0.000) 15.481 16.687 ( 0.000 -13.178 0.000) 13.178 20.706 ( 0.000 -0.350 -0.000) 0.350 20.707 ( -0.000 -0.676 0.000) 0.676 20.755 ( -0.000 0.466 -0.000) 0.466 20.756 ( 0.000 0.567 0.000) 0.567 21.539 ( 0.000 -0.041 0.000) 0.041 21.577 ( 0.000 -0.960 0.000) 0.960 21.625 ( 0.000 0.963 0.000) 0.963 21.683 ( 0.000 -0.153 0.000) 0.153 23.264 ( 0.000 0.807 0.000) 0.807 23.293 ( 0.000 0.166 0.000) 0.166 23.513 ( 0.000 -0.061 -0.000) 0.061 23.548 ( 0.000 -0.957 0.000) 0.957 28.195 ( 0.000 0.388 0.000) 0.388 28.211 ( 0.000 -1.707 0.000) 1.707 28.292 ( 0.000 0.568 0.000) 0.568 28.457 ( 0.000 -2.300 0.000) 2.300 31.779 ( -0.000 -0.382 -0.000) 0.382 31.787 ( 0.000 -0.405 0.000) 0.405 31.823 ( 0.000 0.524 0.000) 0.524 31.841 ( 0.000 0.253 -0.000) 0.253 35.877 ( 0.000 6.523 0.000) 6.523 36.206 ( 0.000 -3.461 0.000) 3.461 36.304 ( 0.000 1.278 -0.000) 1.278 36.499 ( 0.000 -3.730 0.000) 3.730 39.262 ( 0.000 7.987 0.000) 7.987 39.383 ( 0.000 3.297 -0.000) 3.297 39.797 ( 0.000 -2.197 0.000) 2.197 40.031 ( -0.000 -7.455 0.000) 7.455 42.758 ( 0.000 3.577 -0.000) 3.577 43.054 ( 0.000 -2.905 0.000) 2.905 43.282 ( -0.000 4.462 0.000) 4.462 43.791 ( 0.000 -13.611 0.000) 13.611 84.992 ( 0.000 2.831 0.000) 2.831 85.178 ( 0.000 -2.439 0.000) 2.439 85.847 ( 0.000 1.907 0.000) 1.907 86.663 ( 0.000 -21.862 0.000) 21.862 ======================= Grid point 27 (16/116) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 14.378 0.000) 14.378 0.885 ( 0.000 9.205 0.000) 9.205 0.928 ( 0.000 6.546 0.000) 6.546 0.931 ( 0.000 -8.083 0.000) 8.083 1.037 ( 0.000 -11.994 0.000) 11.994 1.162 ( 0.000 -12.095 0.000) 12.095 1.657 ( 0.000 -0.228 0.000) 0.228 1.671 ( 0.000 -1.369 0.000) 1.369 1.994 ( 0.000 22.802 0.000) 22.802 2.182 ( 0.000 26.124 0.000) 26.124 2.234 ( 0.000 -2.142 0.000) 2.142 2.469 ( 0.000 4.888 0.000) 4.888 2.500 ( 0.000 -1.598 0.000) 1.598 2.664 ( 0.000 -13.188 0.000) 13.188 2.805 ( 0.000 -6.572 0.000) 6.572 2.807 ( 0.000 -12.952 0.000) 12.952 2.937 ( 0.000 -3.779 0.000) 3.779 2.973 ( 0.000 -2.563 0.000) 2.563 3.335 ( 0.000 -0.253 0.000) 0.253 3.359 ( 0.000 -1.927 0.000) 1.927 3.432 ( 0.000 6.758 0.000) 6.758 3.584 ( 0.000 -4.326 0.000) 4.326 3.626 ( 0.000 -0.220 0.000) 0.220 3.646 ( 0.000 -5.523 0.000) 5.523 4.151 ( 0.000 3.950 0.000) 3.950 4.213 ( 0.000 -2.749 0.000) 2.749 4.214 ( 0.000 5.197 0.000) 5.197 4.316 ( 0.000 -4.253 0.000) 4.253 4.627 ( 0.000 0.071 0.000) 0.071 4.631 ( 0.000 -0.431 0.000) 0.431 4.817 ( 0.000 2.770 0.000) 2.770 4.864 ( 0.000 -1.925 0.000) 1.925 5.146 ( 0.000 2.279 0.000) 2.279 5.214 ( 0.000 -4.213 0.000) 4.213 5.575 ( 0.000 0.950 0.000) 0.950 5.585 ( 0.000 0.009 0.000) 0.009 6.778 ( 0.000 18.646 0.000) 18.646 7.149 ( 0.000 -17.994 0.000) 17.994 7.359 ( 0.000 11.934 0.000) 11.934 7.605 ( 0.000 -12.269 0.000) 12.269 12.099 ( 0.000 18.742 0.000) 18.742 12.233 ( 0.000 18.992 0.000) 18.992 12.492 ( 0.000 -20.295 0.000) 20.295 12.627 ( 0.000 -20.158 0.000) 20.158 15.754 ( 0.000 25.839 0.000) 25.839 16.052 ( 0.000 29.131 0.000) 29.131 16.240 ( 0.000 -22.466 0.000) 22.466 16.612 ( 0.000 -26.431 0.000) 26.431 20.707 ( 0.000 0.034 0.000) 0.034 20.708 ( 0.000 -0.125 0.000) 0.125 20.746 ( 0.000 0.410 0.000) 0.410 20.754 ( 0.000 -0.358 0.000) 0.358 21.544 ( 0.000 0.029 0.000) 0.029 21.550 ( 0.000 -0.534 0.000) 0.534 21.659 ( 0.000 0.621 0.000) 0.621 21.667 ( 0.000 -0.201 0.000) 0.201 23.292 ( 0.000 1.019 0.000) 1.019 23.309 ( 0.000 -0.672 0.000) 0.672 23.510 ( 0.000 0.381 0.000) 0.381 23.523 ( 0.000 -0.919 0.000) 0.919 28.158 ( 0.000 3.174 0.000) 3.174 28.227 ( 0.000 -3.638 0.000) 3.638 28.420 ( 0.000 0.062 0.000) 0.062 28.433 ( 0.000 -1.173 0.000) 1.173 31.777 ( 0.000 -0.023 0.000) 0.023 31.778 ( 0.000 -0.197 0.000) 0.197 31.815 ( 0.000 0.153 0.000) 0.153 31.816 ( 0.000 -0.014 0.000) 0.014 35.800 ( 0.000 8.879 0.000) 8.879 35.983 ( 0.000 -9.099 0.000) 9.099 36.312 ( 0.000 1.246 0.000) 1.246 36.338 ( 0.000 -1.366 0.000) 1.366 39.162 ( 0.000 6.446 0.000) 6.446 39.293 ( 0.000 -6.515 0.000) 6.515 39.804 ( 0.000 7.819 0.000) 7.819 39.961 ( 0.000 -7.588 0.000) 7.588 42.678 ( 0.000 2.250 0.000) 2.250 42.738 ( 0.000 -3.749 0.000) 3.749 43.474 ( 0.000 3.612 0.000) 3.612 43.535 ( 0.000 -2.581 0.000) 2.581 85.062 ( 0.000 5.712 0.000) 5.712 85.172 ( 0.000 -5.324 0.000) 5.324 85.304 ( 0.000 5.741 0.000) 5.741 85.447 ( 0.000 -8.195 0.000) 8.195 ======================= Grid point 28 (17/116) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.098 11.747 2.568) 12.024 0.888 ( 0.439 -5.977 0.757) 6.041 1.019 ( 7.492 0.715 2.212) 7.844 1.074 ( 7.840 4.400 5.694) 10.641 1.113 ( 8.431 -4.895 0.583) 9.767 1.271 ( 8.026 -9.604 4.680) 13.362 1.605 ( -3.132 1.043 -2.866) 4.372 1.640 ( -1.973 -2.359 -3.541) 4.690 2.004 ( 0.779 21.167 1.231) 21.217 2.167 ( -1.255 25.619 -0.220) 25.650 2.223 ( -1.603 -1.494 -0.171) 2.198 2.429 ( -4.651 3.267 -0.070) 5.684 2.481 ( 0.023 1.255 -0.064) 1.257 2.657 ( -0.863 -14.232 0.187) 14.259 2.782 ( -1.051 -10.107 -0.293) 10.166 2.819 ( 0.606 -8.803 -0.733) 8.855 2.941 ( 0.190 -1.164 0.476) 1.271 2.983 ( -0.481 -2.061 0.266) 2.133 3.292 ( -2.303 4.015 -1.384) 4.832 3.351 ( 0.202 -0.954 1.442) 1.741 3.444 ( 3.726 -0.337 -0.074) 3.742 3.523 ( -2.590 -7.152 -1.609) 7.775 3.703 ( 1.975 0.711 2.521) 3.281 3.772 ( 6.023 -6.346 2.492) 9.097 4.165 ( 1.227 4.746 0.609) 4.940 4.226 ( 2.107 4.164 -1.471) 4.893 4.230 ( 1.938 -2.525 -0.244) 3.192 4.321 ( 0.851 -4.158 -0.749) 4.310 4.577 ( -5.799 1.467 1.001) 6.065 4.614 ( -3.448 -2.202 0.594) 4.133 4.769 ( -4.380 3.400 0.655) 5.583 4.838 ( -2.824 -3.406 0.771) 4.491 5.192 ( 4.976 1.705 -0.200) 5.264 5.240 ( 3.597 -3.065 -0.207) 4.731 5.628 ( 3.970 0.647 0.430) 4.045 5.632 ( 4.622 0.276 1.359) 4.825 6.792 ( 0.509 18.106 2.105) 18.235 7.133 ( -2.654 -12.402 0.691) 12.701 7.327 ( -1.930 7.192 -1.533) 7.603 7.565 ( -3.484 -12.917 -1.198) 13.432 12.102 ( -0.148 19.107 0.306) 19.110 12.214 ( -1.184 18.902 -0.400) 18.943 12.501 ( 0.123 -20.345 0.701) 20.357 12.611 ( -1.137 -20.332 -0.087) 20.364 15.758 ( 0.438 25.786 -0.015) 25.789 16.027 ( -1.738 27.769 -1.274) 27.852 16.244 ( 0.369 -22.239 0.008) 22.242 16.554 ( -4.058 -24.028 -2.535) 24.500 20.702 ( -0.323 0.129 -0.203) 0.402 20.706 ( -0.167 -0.306 -0.167) 0.387 20.743 ( -0.034 0.575 -0.243) 0.625 20.753 ( 0.062 -0.338 -0.263) 0.433 21.544 ( 0.254 0.323 -0.467) 0.622 21.556 ( 0.558 -0.822 -0.387) 1.066 21.668 ( 0.274 0.190 0.103) 0.349 21.670 ( 0.426 0.029 0.246) 0.493 23.290 ( -0.173 0.967 -0.019) 0.982 23.306 ( -0.291 -0.567 -0.051) 0.640 23.511 ( 0.075 0.393 0.007) 0.401 23.524 ( 0.081 -0.918 0.011) 0.921 28.162 ( 0.352 2.718 0.134) 2.744 28.223 ( -0.096 -3.341 -0.626) 3.401 28.403 ( -1.429 0.837 -0.157) 1.663 28.430 ( -0.459 -1.771 0.053) 1.830 31.760 ( -0.999 0.431 0.357) 1.145 31.773 ( -0.686 -0.737 0.249) 1.037 31.828 ( 0.799 0.154 0.447) 0.928 31.829 ( 0.603 0.065 0.354) 0.702 35.846 ( 3.877 7.251 0.929) 8.275 35.995 ( 1.353 -7.106 -0.465) 7.249 36.308 ( 0.832 2.122 -1.272) 2.610 36.356 ( 2.007 -2.385 -1.173) 3.331 39.198 ( 2.898 7.333 1.326) 7.995 39.356 ( 4.917 -8.462 1.430) 9.890 39.780 ( -0.787 8.337 -2.882) 8.856 39.945 ( 0.314 -7.882 -3.875) 8.789 42.716 ( 2.864 3.500 1.544) 4.779 42.808 ( 4.829 -5.693 2.632) 7.916 43.458 ( -2.134 3.736 1.283) 4.490 43.529 ( -1.241 -3.628 1.760) 4.219 85.175 ( 5.390 1.584 1.830) 5.908 85.207 ( 0.264 -0.351 -1.433) 1.499 85.409 ( 10.524 0.408 3.759) 11.182 85.501 ( 9.149 -8.249 2.140) 12.503 ======================= Grid point 29 (18/116) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 4.999 8.761 5.796) 11.634 0.952 ( 4.079 -7.867 4.243) 9.826 1.142 ( 4.218 1.188 0.252) 4.389 1.219 ( 5.434 -6.015 0.155) 8.108 1.385 ( 12.129 6.433 6.116) 15.030 1.489 ( 6.265 -4.473 2.912) 8.230 1.511 ( -1.146 1.762 -4.456) 4.927 1.562 ( 0.766 -3.046 -3.214) 4.494 2.037 ( 0.941 14.804 0.929) 14.863 2.132 ( -1.880 18.723 -1.135) 18.851 2.179 ( -2.657 6.656 1.473) 7.317 2.334 ( -4.733 6.505 -0.109) 8.045 2.506 ( 1.789 -0.464 1.197) 2.202 2.636 ( -1.737 -18.087 0.407) 18.175 2.760 ( -1.376 -6.810 0.052) 6.948 2.810 ( -0.386 -2.803 -1.907) 3.412 2.946 ( -1.790 -2.892 1.376) 3.669 2.959 ( 0.188 -2.884 0.093) 2.891 3.274 ( 0.023 1.307 -0.014) 1.307 3.360 ( -1.134 -5.483 -0.387) 5.613 3.488 ( 1.818 1.039 -1.101) 2.366 3.543 ( 3.836 -2.866 1.586) 5.044 3.723 ( -0.965 1.927 1.172) 2.453 3.825 ( -0.534 -8.343 -1.058) 8.427 4.201 ( 1.177 6.463 1.315) 6.700 4.262 ( 3.178 1.470 -2.125) 4.096 4.279 ( 3.438 -2.020 -1.206) 4.165 4.323 ( -0.351 -2.847 -1.441) 3.210 4.442 ( -7.973 2.552 1.045) 8.436 4.519 ( -5.829 -4.410 0.964) 7.372 4.679 ( -5.665 4.028 0.378) 6.961 4.772 ( -4.839 -5.071 0.390) 7.020 5.313 ( 7.473 1.898 -0.544) 7.729 5.359 ( 7.725 -2.683 0.808) 8.217 5.717 ( 4.397 1.904 0.813) 4.860 5.747 ( 5.122 -1.008 1.905) 5.557 6.839 ( 1.495 14.757 3.701) 15.287 7.048 ( -5.714 1.907 -0.339) 6.033 7.280 ( -1.868 -3.372 -1.281) 4.062 7.467 ( -4.667 -13.888 -1.803) 14.762 12.088 ( -1.151 18.697 -0.511) 18.739 12.204 ( 0.103 19.230 0.609) 19.240 12.484 ( -2.007 -20.134 -0.563) 20.241 12.611 ( 0.630 -20.820 1.437) 20.879 15.768 ( 0.567 25.707 -0.015) 25.713 15.976 ( -1.981 25.675 -1.510) 25.795 16.252 ( 0.385 -22.102 0.009) 22.106 16.450 ( -3.750 -20.928 -2.439) 21.401 20.696 ( -0.095 0.132 -0.087) 0.185 20.702 ( -0.170 -0.432 -0.016) 0.464 20.746 ( 0.471 0.620 -0.133) 0.790 20.755 ( 0.398 -0.268 -0.217) 0.526 21.545 ( 0.393 0.528 -0.758) 1.003 21.560 ( 0.467 -0.978 -0.781) 1.336 21.666 ( -0.364 0.723 -0.146) 0.822 21.679 ( 0.043 -0.551 0.096) 0.560 23.286 ( -0.223 0.861 -0.022) 0.889 23.299 ( -0.333 -0.416 -0.044) 0.535 23.513 ( 0.121 0.406 0.025) 0.424 23.526 ( 0.112 -0.903 0.022) 0.910 28.172 ( 0.447 1.553 0.215) 1.630 28.212 ( -0.280 -2.456 -0.919) 2.637 28.370 ( -1.759 2.007 -0.053) 2.669 28.417 ( -0.806 -2.585 0.063) 2.708 31.754 ( -0.268 0.524 0.883) 1.061 31.768 ( -0.251 -0.837 0.772) 1.165 31.839 ( 0.159 0.274 0.231) 0.392 31.842 ( 0.239 -0.041 0.313) 0.396 35.938 ( 4.439 4.981 0.273) 6.678 36.023 ( 2.317 -3.181 -0.584) 3.978 36.330 ( 2.267 1.478 -0.907) 2.854 36.382 ( 1.697 -3.122 -1.202) 3.751 39.279 ( 3.851 8.338 1.479) 9.303 39.454 ( 2.966 -8.775 1.128) 9.330 39.745 ( 0.979 7.948 -3.874) 8.896 39.911 ( 0.340 -8.227 -4.375) 9.324 42.790 ( 2.909 5.250 1.352) 6.152 42.915 ( 3.634 -6.931 1.309) 7.935 43.424 ( -2.550 4.541 1.425) 5.399 43.529 ( -1.005 -6.560 2.935) 7.256 85.156 ( -1.502 2.253 -4.690) 5.416 85.200 ( -0.967 -2.211 -2.710) 3.629 85.647 ( 11.524 5.675 4.224) 13.522 85.858 ( 16.708 -16.026 7.027) 24.195 ======================= Grid point 30 (19/116) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 6.482 7.343 6.432) 11.718 1.101 ( 5.654 -6.712 5.599) 10.410 1.195 ( 1.479 2.600 1.034) 3.164 1.280 ( 1.364 -5.107 -0.596) 5.320 1.380 ( -3.086 2.184 -6.139) 7.210 1.440 ( -2.426 -3.108 -5.144) 6.481 1.702 ( 12.323 6.524 4.885) 14.774 1.745 ( 8.848 -0.248 2.821) 9.290 2.031 ( -1.749 8.987 -0.544) 9.172 2.101 ( -0.973 14.917 -0.300) 14.951 2.150 ( -1.960 6.583 0.515) 6.888 2.251 ( -3.585 11.041 -0.222) 11.610 2.554 ( 1.347 -6.033 1.258) 6.309 2.597 ( -1.571 -22.033 -0.558) 22.096 2.711 ( -4.853 0.826 2.365) 5.461 2.800 ( 1.891 5.947 -2.390) 6.683 2.913 ( -1.445 -3.878 -0.157) 4.141 2.996 ( 1.572 -11.103 1.681) 11.339 3.267 ( -0.809 -1.672 0.136) 1.863 3.310 ( -2.637 -5.075 -0.643) 5.756 3.510 ( 1.179 6.177 -1.859) 6.558 3.619 ( 2.652 -2.964 0.813) 4.059 3.720 ( -0.002 0.033 1.036) 1.037 3.780 ( -1.875 -6.641 -1.660) 7.098 4.217 ( -1.294 5.234 0.673) 5.434 4.250 ( -1.853 1.196 -3.281) 3.954 4.278 ( -2.838 -0.338 -0.938) 3.008 4.318 ( 1.867 0.278 0.438) 1.937 4.385 ( 1.879 0.410 0.898) 2.123 4.462 ( -1.208 -5.024 0.786) 5.227 4.574 ( -5.006 3.978 0.010) 6.394 4.676 ( -4.720 -5.823 -0.169) 7.497 5.441 ( 5.824 2.801 -0.364) 6.473 5.491 ( 4.868 -2.048 -0.097) 5.282 5.794 ( 2.650 2.643 0.758) 3.819 5.839 ( 2.730 -1.789 1.472) 3.581 6.871 ( -2.044 10.635 0.302) 10.834 6.990 ( 0.681 5.207 3.871) 6.524 7.211 ( -3.543 -3.247 -2.990) 5.661 7.385 ( -2.298 -13.813 -0.691) 14.020 12.062 ( -0.812 17.150 -0.589) 17.179 12.218 ( 0.456 20.258 0.740) 20.277 12.437 ( -1.812 -19.679 -0.694) 19.774 12.641 ( 0.767 -21.350 1.283) 21.403 15.777 ( 0.381 25.630 -0.002) 25.633 15.934 ( -1.162 24.390 -0.897) 24.434 16.258 ( 0.217 -21.972 0.001) 21.973 16.380 ( -1.801 -19.805 -1.206) 19.923 20.696 ( 0.128 -0.015 0.057) 0.141 20.700 ( -0.062 -0.356 0.097) 0.374 20.756 ( 0.565 0.486 0.025) 0.746 20.761 ( 0.382 -0.064 -0.096) 0.399 21.544 ( 0.250 0.522 -0.623) 0.851 21.560 ( 0.197 -0.945 -0.666) 1.173 21.655 ( -0.512 1.122 -0.177) 1.246 21.675 ( -0.269 -0.856 -0.088) 0.901 23.282 ( -0.146 0.778 -0.012) 0.791 23.294 ( -0.202 -0.336 -0.019) 0.393 23.515 ( 0.089 0.407 0.023) 0.417 23.528 ( 0.078 -0.879 0.019) 0.882 28.181 ( 0.284 0.287 0.288) 0.496 28.198 ( -0.263 -1.344 -0.828) 1.601 28.342 ( -1.136 2.816 0.090) 3.038 28.404 ( -0.580 -3.163 0.065) 3.217 31.764 ( 0.350 0.341 0.949) 1.067 31.775 ( 0.057 -0.643 0.802) 1.030 31.838 ( -0.220 0.362 -0.099) 0.435 31.844 ( -0.137 -0.090 0.019) 0.165 35.997 ( 2.076 5.534 -0.873) 5.974 36.081 ( 3.413 -3.010 0.537) 4.583 36.352 ( 0.396 1.245 -1.008) 1.651 36.402 ( 1.287 -3.548 -0.186) 3.779 39.359 ( 3.382 7.419 0.826) 8.195 39.472 ( -1.097 -2.526 -0.133) 2.757 39.755 ( 2.694 3.358 -2.396) 4.927 39.883 ( -0.066 -8.001 -2.195) 8.297 42.839 ( 1.278 5.727 0.453) 5.885 42.962 ( 0.976 -6.061 0.037) 6.140 43.397 ( -1.318 5.790 0.847) 5.998 43.542 ( -0.292 -9.233 2.071) 9.467 85.086 ( -1.231 3.020 -3.739) 4.961 85.147 ( -1.290 -2.980 -2.545) 4.125 85.872 ( 7.524 9.319 2.987) 12.344 86.152 ( 8.534 -18.635 3.619) 20.813 ======================= Grid point 31 (20/116) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -0.000 7.604 -0.000) 7.604 1.191 ( -0.000 -2.920 -0.000) 2.920 1.259 ( 0.000 -0.442 0.000) 0.442 1.269 ( 0.000 4.530 -0.000) 4.530 1.290 ( 0.000 -5.622 0.000) 5.622 1.373 ( 0.000 -5.232 -0.000) 5.232 1.852 ( -0.000 5.459 -0.000) 5.459 1.940 ( -0.000 17.666 -0.000) 17.666 1.944 ( 0.000 -4.483 0.000) 4.483 2.067 ( 0.000 19.346 -0.000) 19.346 2.127 ( 0.000 -5.665 0.000) 5.665 2.217 ( 0.000 16.788 0.000) 16.788 2.550 ( 0.000 -25.273 0.000) 25.273 2.608 ( -0.000 -18.098 0.000) 18.098 2.659 ( 0.000 15.089 -0.000) 15.089 2.814 ( 0.000 9.347 -0.000) 9.347 2.896 ( 0.000 -6.165 -0.000) 6.165 3.023 ( 0.000 -13.607 0.000) 13.607 3.257 ( 0.000 -2.839 -0.000) 2.839 3.278 ( 0.000 -3.659 0.000) 3.659 3.508 ( 0.000 7.279 0.000) 7.279 3.649 ( 0.000 -4.270 0.000) 4.270 3.733 ( 0.000 -1.102 0.000) 1.102 3.747 ( -0.000 -4.207 -0.000) 4.207 4.185 ( 0.000 1.643 0.000) 1.643 4.213 ( 0.000 -0.606 -0.000) 0.606 4.254 ( 0.000 6.254 0.000) 6.254 4.344 ( 0.000 -0.715 -0.000) 0.715 4.438 ( 0.000 0.342 0.000) 0.342 4.443 ( -0.000 -2.922 0.000) 2.922 4.520 ( -0.000 2.264 0.000) 2.264 4.621 ( 0.000 -6.367 0.000) 6.367 5.502 ( 0.000 2.553 0.000) 2.553 5.532 ( 0.000 -0.621 -0.000) 0.621 5.824 ( 0.000 2.717 0.000) 2.717 5.873 ( 0.000 -2.173 0.000) 2.173 6.837 ( 0.000 12.061 0.000) 12.061 7.069 ( -0.000 -10.806 -0.000) 10.806 7.121 ( 0.000 10.434 0.000) 10.434 7.363 ( 0.000 -13.131 0.000) 13.131 12.051 ( 0.000 16.459 0.000) 16.459 12.227 ( 0.000 20.854 0.000) 20.854 12.415 ( 0.000 -19.610 0.000) 19.610 12.655 ( 0.000 -21.573 0.000) 21.573 15.781 ( 0.000 25.584 0.000) 25.584 15.918 ( 0.000 23.998 0.000) 23.998 16.260 ( 0.000 -21.876 0.000) 21.876 16.358 ( 0.000 -19.649 0.000) 19.649 20.699 ( 0.000 -0.170 -0.000) 0.170 20.700 ( -0.000 -0.213 0.000) 0.213 20.763 ( -0.000 0.270 -0.000) 0.270 20.764 ( 0.000 0.191 0.000) 0.191 21.544 ( 0.000 0.479 0.000) 0.479 21.558 ( 0.000 -0.904 0.000) 0.904 21.648 ( 0.000 1.275 0.000) 1.275 21.672 ( 0.000 -0.972 0.000) 0.972 23.281 ( 0.000 0.748 0.000) 0.748 23.292 ( 0.000 -0.314 0.000) 0.314 23.516 ( 0.000 0.406 -0.000) 0.406 23.529 ( 0.000 -0.867 0.000) 0.867 28.187 ( 0.000 -0.521 -0.000) 0.521 28.189 ( 0.000 -0.555 0.000) 0.555 28.332 ( 0.000 3.067 -0.000) 3.067 28.399 ( 0.000 -3.365 0.000) 3.365 31.775 ( -0.000 0.006 -0.000) 0.006 31.779 ( 0.000 -0.354 0.000) 0.354 31.834 ( 0.000 0.542 0.000) 0.542 31.842 ( 0.000 -0.195 -0.000) 0.195 36.011 ( 0.000 6.474 0.000) 6.474 36.124 ( 0.000 -4.827 0.000) 4.827 36.344 ( 0.000 2.819 0.000) 2.819 36.416 ( 0.000 -4.260 0.000) 4.260 39.411 ( -0.000 5.548 0.000) 5.548 39.442 ( 0.000 1.823 -0.000) 1.823 39.775 ( 0.000 1.087 0.000) 1.087 39.871 ( -0.000 -7.732 0.000) 7.732 42.852 ( 0.000 5.635 -0.000) 5.635 42.968 ( 0.000 -5.527 0.000) 5.527 43.389 ( -0.000 6.375 0.000) 6.375 43.549 ( 0.000 -10.095 0.000) 10.095 85.056 ( 0.000 3.362 0.000) 3.362 85.121 ( 0.000 -3.144 0.000) 3.144 85.960 ( 0.000 9.987 0.000) 9.987 86.248 ( 0.000 -18.483 0.000) 18.483 ======================= Grid point 63 (21/116) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.170 ( 7.526 0.000 9.132) 11.833 0.276 ( 3.048 0.000 13.282) 13.627 0.439 ( 22.574 0.000 21.295) 31.034 0.934 ( 3.467 0.000 1.020) 3.615 1.119 ( -1.798 0.000 -0.550) 1.880 1.379 ( -0.622 0.000 0.302) 0.692 1.511 ( 0.288 0.000 0.112) 0.309 1.680 ( 0.010 0.000 1.500) 1.500 1.735 ( -2.938 0.000 0.781) 3.040 1.837 ( -0.947 0.000 -0.391) 1.025 1.985 ( 0.433 0.000 -1.341) 1.410 2.212 ( -1.294 0.000 -5.294) 5.450 2.419 ( -5.494 0.000 2.762) 6.149 2.563 ( -28.054 0.000 -0.793) 28.066 2.789 ( 4.309 0.000 1.537) 4.575 2.852 ( 1.702 0.000 -1.471) 2.250 3.200 ( 1.429 0.000 1.431) 2.022 3.388 ( 0.577 0.000 0.702) 0.909 3.519 ( 3.383 0.000 -0.310) 3.397 3.615 ( -3.362 0.000 -1.529) 3.693 3.667 ( -3.144 0.000 -2.328) 3.913 3.691 ( -1.664 0.000 -1.552) 2.275 3.743 ( 1.624 0.000 1.662) 2.324 4.021 ( 35.886 0.000 0.229) 35.887 4.059 ( -0.377 0.000 1.265) 1.320 4.165 ( 4.430 0.000 -0.608) 4.471 4.315 ( 1.208 0.000 -0.406) 1.275 4.409 ( -6.767 0.000 -0.942) 6.833 4.632 ( 1.410 0.000 1.474) 2.040 4.657 ( 0.377 0.000 0.066) 0.383 4.874 ( 18.812 0.000 -3.271) 19.094 4.920 ( 0.478 0.000 -1.243) 1.332 5.172 ( 0.199 0.000 2.208) 2.217 5.347 ( 5.319 0.000 1.225) 5.459 5.559 ( 1.621 0.000 1.043) 1.927 5.722 ( -9.060 0.000 -1.428) 9.172 6.140 ( 3.353 0.000 4.805) 5.859 6.892 ( -3.821 0.000 -3.688) 5.311 7.907 ( 14.574 0.000 1.046) 14.612 8.030 ( 2.036 0.000 -0.472) 2.090 11.437 ( -0.789 0.000 0.270) 0.834 11.552 ( -0.139 0.000 -0.832) 0.844 13.525 ( 0.896 0.000 0.316) 0.950 13.609 ( -8.380 0.000 -0.685) 8.408 14.578 ( -0.472 0.000 0.610) 0.771 14.752 ( -1.103 0.000 -1.158) 1.599 16.895 ( 0.102 0.000 0.591) 0.600 16.973 ( -0.047 0.000 -0.305) 0.309 20.698 ( 0.040 0.000 -0.429) 0.430 20.723 ( -0.220 0.000 -0.524) 0.568 20.729 ( 0.038 0.000 0.102) 0.109 20.758 ( -0.220 0.000 -0.386) 0.444 21.571 ( 0.564 0.000 0.287) 0.633 21.604 ( -0.322 0.000 -0.227) 0.394 21.607 ( 2.535 0.000 -0.095) 2.537 21.648 ( -0.632 0.000 -0.383) 0.739 23.261 ( -0.995 0.000 0.147) 1.006 23.290 ( 0.088 0.000 -0.168) 0.189 23.519 ( -0.132 0.000 0.272) 0.302 23.566 ( 0.129 0.000 -0.251) 0.282 28.079 ( 1.016 0.000 1.641) 1.930 28.437 ( -2.450 0.000 -2.500) 3.501 28.496 ( 1.517 0.000 0.288) 1.544 28.519 ( -18.068 0.000 -0.177) 18.069 31.788 ( -1.145 0.000 0.310) 1.186 31.805 ( 1.444 0.000 0.596) 1.562 31.814 ( -0.046 0.000 0.382) 0.384 31.816 ( 1.359 0.000 0.145) 1.367 35.508 ( 4.453 0.000 0.932) 4.549 35.748 ( -3.446 0.000 -1.902) 3.936 36.272 ( 2.212 0.000 1.244) 2.538 36.412 ( -1.148 0.000 -0.439) 1.229 38.963 ( 0.052 0.000 2.758) 2.758 39.450 ( -0.550 0.000 -2.449) 2.510 39.606 ( 9.158 0.000 2.134) 9.404 39.937 ( -2.119 0.000 -1.445) 2.565 42.643 ( -0.865 0.000 1.392) 1.639 43.076 ( 1.684 0.000 -6.414) 6.631 43.345 ( -2.117 0.000 6.513) 6.848 43.787 ( 59.415 0.000 -1.304) 59.429 85.155 ( -3.142 0.000 -2.887) 4.267 85.238 ( 56.283 0.000 -6.165) 56.619 85.512 ( 61.591 0.000 6.794) 61.965 85.615 ( -6.770 0.000 3.329) 7.545 ======================= Grid point 64 (22/116) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 9.780 0.000 7.099) 12.085 0.465 ( 5.554 0.000 11.076) 12.391 1.006 ( 2.178 0.000 -4.547) 5.042 1.033 ( 5.112 0.000 1.043) 5.217 1.153 ( 20.726 0.000 15.565) 25.920 1.390 ( 1.078 0.000 0.884) 1.394 1.560 ( 4.080 0.000 0.912) 4.181 1.633 ( -6.407 0.000 -3.331) 7.221 1.690 ( -0.125 0.000 1.955) 1.959 1.782 ( -4.120 0.000 -1.073) 4.257 2.020 ( 2.909 0.000 0.899) 3.045 2.110 ( -2.544 0.000 -6.958) 7.409 2.305 ( -7.215 0.000 2.171) 7.534 2.420 ( -1.468 0.000 0.933) 1.739 2.882 ( 2.539 0.000 -1.002) 2.730 2.911 ( 6.504 0.000 4.010) 7.641 3.302 ( 4.905 0.000 2.435) 5.476 3.433 ( 2.979 0.000 0.376) 3.002 3.533 ( -3.807 0.000 -2.671) 4.650 3.550 ( -1.514 0.000 -0.799) 1.712 3.603 ( 1.852 0.000 -0.765) 2.003 3.671 ( 0.139 0.000 -1.643) 1.649 3.806 ( 2.484 0.000 1.444) 2.874 4.015 ( -4.946 0.000 -0.290) 4.954 4.139 ( -0.124 0.000 -1.698) 1.703 4.225 ( -1.251 0.000 -5.699) 5.834 4.327 ( -2.876 0.000 -0.926) 3.021 4.338 ( 1.396 0.000 0.420) 1.458 4.610 ( -4.586 0.000 1.957) 4.986 4.633 ( -2.409 0.000 -0.091) 2.411 4.890 ( -3.357 0.000 -10.100) 10.643 4.934 ( 1.206 0.000 -0.902) 1.506 5.208 ( 1.516 0.000 2.393) 2.833 5.533 ( -7.645 0.000 0.932) 7.701 5.559 ( 10.686 0.000 -3.171) 11.147 5.645 ( 5.326 0.000 2.883) 6.056 6.324 ( 8.787 0.000 8.360) 12.129 6.728 ( -7.264 0.000 -6.309) 9.621 7.968 ( -4.871 0.000 -3.380) 5.928 8.029 ( -2.008 0.000 -0.441) 2.056 11.443 ( 1.869 0.000 -0.253) 1.886 11.539 ( -0.480 0.000 -1.029) 1.135 13.479 ( -5.222 0.000 2.008) 5.595 13.547 ( 0.662 0.000 0.977) 1.180 14.580 ( 0.160 0.000 0.681) 0.700 14.758 ( 1.489 0.000 -1.379) 2.030 16.907 ( 0.452 0.000 0.793) 0.913 16.968 ( -0.086 0.000 -0.459) 0.467 20.699 ( 0.459 0.000 -0.342) 0.572 20.713 ( -0.157 0.000 -0.302) 0.340 20.730 ( -0.103 0.000 0.249) 0.269 20.757 ( 0.497 0.000 -0.913) 1.039 21.585 ( 0.250 0.000 0.822) 0.859 21.588 ( -0.950 0.000 -0.527) 1.086 21.630 ( -0.557 0.000 -0.975) 1.122 21.646 ( 1.666 0.000 -1.093) 1.992 23.252 ( -0.326 0.000 0.307) 0.448 23.289 ( -0.023 0.000 -0.155) 0.157 23.519 ( -0.080 0.000 0.277) 0.288 23.567 ( 0.158 0.000 -0.242) 0.289 28.131 ( 2.056 0.000 3.029) 3.661 28.344 ( -4.066 0.000 -3.240) 5.199 28.377 ( -2.829 0.000 2.153) 3.555 28.517 ( 0.348 0.000 0.131) 0.372 31.770 ( -0.907 0.000 0.568) 1.070 31.812 ( -0.370 0.000 0.173) 0.409 31.827 ( 0.078 0.000 0.439) 0.446 31.836 ( 0.974 0.000 0.598) 1.143 35.673 ( -0.980 0.000 -3.480) 3.616 35.804 ( 16.400 0.000 -5.242) 17.217 36.361 ( 4.785 0.000 2.176) 5.256 36.388 ( -0.364 0.000 -1.889) 1.924 39.001 ( 0.846 0.000 3.623) 3.721 39.396 ( -1.909 0.000 -3.675) 4.141 39.879 ( -1.446 0.000 -3.291) 3.595 39.920 ( 15.290 0.000 -6.149) 16.480 42.649 ( 0.222 0.000 1.260) 1.280 43.056 ( 2.092 0.000 -5.609) 5.986 43.337 ( -4.136 0.000 4.473) 6.092 44.218 ( 7.922 0.000 -10.180) 12.900 85.047 ( -3.483 0.000 -6.276) 7.178 85.458 ( 9.008 0.000 -1.223) 9.090 85.475 ( -8.186 0.000 -0.910) 8.236 86.812 ( 47.050 0.000 -31.649) 56.704 ======================= Grid point 65 (23/116) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 7.603 0.000 3.483) 8.363 0.662 ( 5.366 0.000 7.901) 9.550 0.896 ( -3.907 0.000 -5.394) 6.660 1.120 ( 3.889 0.000 -1.486) 4.164 1.379 ( -6.646 0.000 -1.363) 6.784 1.482 ( -0.310 0.000 -4.662) 4.672 1.575 ( 5.655 0.000 0.145) 5.657 1.686 ( -5.302 0.000 0.899) 5.378 1.726 ( 3.045 0.000 0.535) 3.092 1.761 ( 16.194 0.000 9.014) 18.534 2.016 ( -1.131 0.000 -5.352) 5.471 2.085 ( 2.269 0.000 1.789) 2.889 2.231 ( -3.725 0.000 4.655) 5.962 2.408 ( -1.506 0.000 1.488) 2.117 2.930 ( 3.104 0.000 -0.221) 3.112 3.090 ( 7.356 0.000 3.464) 8.131 3.388 ( 1.863 0.000 -0.132) 1.868 3.422 ( -3.178 0.000 -3.715) 4.889 3.471 ( 2.625 0.000 2.548) 3.658 3.572 ( 2.007 0.000 0.977) 2.232 3.612 ( -0.087 0.000 -1.768) 1.770 3.698 ( 2.617 0.000 1.553) 3.043 3.796 ( -6.005 0.000 -0.932) 6.077 3.913 ( -1.911 0.000 -1.990) 2.759 4.094 ( -3.653 0.000 -0.192) 3.658 4.109 ( -4.203 0.000 -5.421) 6.860 4.228 ( -4.876 0.000 -4.542) 6.664 4.376 ( 1.926 0.000 0.498) 1.989 4.532 ( -3.613 0.000 0.193) 3.618 4.591 ( -1.312 0.000 -0.282) 1.341 4.729 ( -6.230 0.000 -3.199) 7.004 4.926 ( -1.221 0.000 -0.605) 1.363 5.268 ( 2.290 0.000 1.461) 2.716 5.472 ( -0.451 0.000 2.183) 2.229 5.647 ( 3.670 0.000 -5.555) 6.658 5.792 ( 6.358 0.000 3.398) 7.209 6.547 ( -5.404 0.000 -5.171) 7.479 6.595 ( 10.279 0.000 9.399) 13.928 7.761 ( -11.946 0.000 -3.712) 12.510 7.956 ( -4.152 0.000 -1.372) 4.373 11.493 ( 3.189 0.000 -0.136) 3.192 11.512 ( -1.240 0.000 -1.084) 1.647 13.417 ( -3.178 0.000 1.049) 3.347 13.563 ( -0.076 0.000 0.943) 0.946 14.596 ( 0.638 0.000 0.984) 1.173 14.773 ( 1.299 0.000 -1.270) 1.817 16.923 ( 0.426 0.000 0.722) 0.838 16.962 ( -0.106 0.000 -0.499) 0.510 20.708 ( 0.635 0.000 -0.075) 0.640 20.716 ( 0.491 0.000 0.244) 0.549 20.730 ( -0.210 0.000 0.377) 0.431 20.754 ( 0.171 0.000 -1.293) 1.304 21.564 ( -0.889 0.000 -0.533) 1.037 21.596 ( 0.061 0.000 0.862) 0.864 21.612 ( -0.295 0.000 -0.986) 1.029 21.660 ( 0.838 0.000 -0.677) 1.077 23.250 ( -0.212 0.000 0.236) 0.318 23.287 ( -0.079 0.000 -0.146) 0.166 23.520 ( -0.092 0.000 0.277) 0.292 23.567 ( 0.164 0.000 -0.232) 0.284 28.204 ( 2.256 0.000 3.511) 4.173 28.239 ( -3.538 0.000 -2.913) 4.583 28.356 ( -1.475 0.000 0.616) 1.598 28.516 ( -0.588 0.000 0.527) 0.790 31.768 ( 0.090 0.000 0.747) 0.752 31.804 ( -0.420 0.000 -0.276) 0.502 31.832 ( -0.110 0.000 0.608) 0.617 31.846 ( -0.308 0.000 0.063) 0.315 35.661 ( 2.202 0.000 -1.770) 2.825 36.023 ( 10.777 0.000 -1.171) 10.841 36.355 ( -0.752 0.000 -3.375) 3.458 36.472 ( 4.647 0.000 1.630) 4.924 39.054 ( 0.986 0.000 3.640) 3.771 39.326 ( -1.386 0.000 -3.790) 4.035 39.836 ( 0.185 0.000 -2.655) 2.662 40.077 ( 7.041 0.000 -3.322) 7.785 42.671 ( 0.767 0.000 1.240) 1.458 43.051 ( 2.213 0.000 -4.464) 4.983 43.276 ( -4.695 0.000 1.504) 4.930 44.193 ( -0.159 0.000 -6.532) 6.534 84.932 ( -1.544 0.000 -6.420) 6.603 85.325 ( -5.562 0.000 -1.738) 5.827 85.635 ( 10.048 0.000 -0.944) 10.092 87.091 ( 13.561 0.000 -18.714) 23.111 ======================= Grid point 66 (24/116) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 4.016 0.000 -1.624) 4.332 0.781 ( -1.027 0.000 -1.000) 1.433 0.803 ( 1.324 0.000 0.252) 1.348 1.144 ( -0.692 0.000 -1.159) 1.349 1.227 ( -0.993 0.000 -5.174) 5.269 1.495 ( 1.380 0.000 -0.107) 1.384 1.602 ( -4.795 0.000 1.870) 5.147 1.604 ( -0.286 0.000 0.183) 0.339 1.792 ( 3.486 0.000 -0.920) 3.606 1.969 ( 0.586 0.000 -3.776) 3.821 2.067 ( 8.805 0.000 1.619) 8.952 2.129 ( 0.484 0.000 1.639) 1.709 2.235 ( -2.245 0.000 7.252) 7.592 2.377 ( -2.046 0.000 -0.782) 2.190 2.975 ( 1.378 0.000 -0.901) 1.647 3.189 ( 0.957 0.000 -0.200) 0.978 3.375 ( 0.515 0.000 -1.039) 1.159 3.404 ( 2.226 0.000 -0.416) 2.264 3.562 ( -1.569 0.000 1.637) 2.268 3.591 ( -0.743 0.000 -0.075) 0.747 3.600 ( 0.196 0.000 -0.530) 0.565 3.696 ( 0.929 0.000 2.168) 2.359 3.757 ( 0.591 0.000 0.654) 0.881 3.876 ( -0.221 0.000 -2.061) 2.073 3.999 ( -1.351 0.000 -3.677) 3.918 4.028 ( -2.577 0.000 2.032) 3.281 4.103 ( -2.742 0.000 -3.988) 4.840 4.412 ( 1.201 0.000 0.420) 1.273 4.492 ( -0.848 0.000 -0.021) 0.848 4.583 ( 0.623 0.000 -0.452) 0.769 4.610 ( -4.913 0.000 0.857) 4.987 4.888 ( -1.828 0.000 -0.693) 1.955 5.304 ( 0.618 0.000 0.306) 0.689 5.515 ( 1.199 0.000 0.951) 1.530 5.645 ( 2.355 0.000 -2.934) 3.763 5.914 ( 3.190 0.000 1.826) 3.676 6.444 ( -1.388 0.000 -3.075) 3.374 6.830 ( 5.341 0.000 4.601) 7.049 7.512 ( -9.045 0.000 -1.843) 9.231 7.876 ( -2.500 0.000 -1.152) 2.753 11.481 ( -0.805 0.000 -0.778) 1.120 11.547 ( 2.193 0.000 0.178) 2.200 13.376 ( -1.891 0.000 0.601) 1.985 13.561 ( -0.633 0.000 0.283) 0.693 14.616 ( 0.250 0.000 1.069) 1.098 14.784 ( 1.013 0.000 -1.177) 1.553 16.933 ( 0.057 0.000 0.418) 0.422 16.957 ( 0.034 0.000 -0.395) 0.397 20.716 ( 0.157 0.000 -0.077) 0.175 20.730 ( -0.121 0.000 0.339) 0.360 20.733 ( 0.678 0.000 0.549) 0.873 20.740 ( -0.051 0.000 -1.348) 1.349 21.549 ( -0.305 0.000 -0.258) 0.400 21.600 ( -0.229 0.000 0.129) 0.262 21.607 ( 0.305 0.000 0.007) 0.305 21.670 ( 0.584 0.000 0.235) 0.630 23.248 ( -0.163 0.000 0.223) 0.276 23.284 ( -0.041 0.000 -0.149) 0.155 23.521 ( -0.118 0.000 0.259) 0.285 23.568 ( 0.136 0.000 -0.239) 0.275 28.170 ( -1.289 0.000 -1.620) 2.071 28.269 ( 0.986 0.000 2.358) 2.555 28.328 ( -1.469 0.000 0.466) 1.541 28.509 ( -0.823 0.000 0.904) 1.222 31.785 ( 0.856 0.000 0.543) 1.013 31.792 ( -0.234 0.000 -0.729) 0.766 31.827 ( -1.290 0.000 -0.549) 1.402 31.834 ( -0.254 0.000 0.417) 0.489 35.708 ( 2.490 0.000 1.104) 2.723 36.204 ( 7.938 0.000 1.456) 8.071 36.295 ( -1.970 0.000 -3.415) 3.942 36.552 ( 2.434 0.000 0.610) 2.509 39.095 ( -0.139 0.000 2.892) 2.895 39.288 ( 0.589 0.000 -2.436) 2.507 39.843 ( 1.468 0.000 0.648) 1.604 40.155 ( 3.494 0.000 -0.256) 3.504 42.696 ( 0.435 0.000 1.307) 1.378 43.054 ( 1.937 0.000 -3.515) 4.014 43.208 ( -2.480 0.000 -0.343) 2.504 44.126 ( -0.206 0.000 -6.681) 6.684 84.905 ( 2.506 0.000 -0.418) 2.540 85.245 ( -1.885 0.000 -0.282) 1.906 85.786 ( 6.818 0.000 -3.147) 7.509 87.113 ( 5.371 0.000 -11.465) 12.661 ======================= Grid point 67 (25/116) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -2.276 0.000 -4.394) 4.949 0.765 ( -1.205 0.000 -4.720) 4.871 0.843 ( 0.788 0.000 0.676) 1.038 1.135 ( 3.419 0.000 -2.836) 4.442 1.243 ( 2.867 0.000 0.618) 2.933 1.496 ( -1.368 0.000 0.323) 1.405 1.571 ( 0.120 0.000 2.778) 2.780 1.596 ( -0.364 0.000 -0.067) 0.370 1.817 ( -0.019 0.000 -1.738) 1.738 1.969 ( 2.398 0.000 -2.415) 3.403 2.106 ( -3.616 0.000 -3.706) 5.178 2.129 ( -1.426 0.000 -1.230) 1.884 2.261 ( -2.710 0.000 8.201) 8.637 2.340 ( -0.143 0.000 -0.675) 0.690 2.951 ( -1.201 0.000 -3.795) 3.980 3.151 ( -2.247 0.000 -4.275) 4.830 3.401 ( 1.988 0.000 0.885) 2.176 3.470 ( 3.482 0.000 2.377) 4.216 3.501 ( -2.605 0.000 -4.714) 5.386 3.559 ( -1.211 0.000 1.650) 2.047 3.612 ( 0.827 0.000 1.074) 1.355 3.704 ( -1.915 0.000 -3.982) 4.418 3.713 ( -2.028 0.000 1.030) 2.275 3.929 ( 3.227 0.000 3.054) 4.443 3.980 ( -1.273 0.000 0.237) 1.295 4.018 ( 1.726 0.000 -0.730) 1.874 4.172 ( 7.251 0.000 6.651) 9.839 4.425 ( 0.022 0.000 0.412) 0.413 4.494 ( 0.930 0.000 0.236) 0.959 4.570 ( -0.314 0.000 2.153) 2.176 4.593 ( 0.153 0.000 -0.360) 0.391 4.859 ( 0.017 0.000 -1.180) 1.181 5.307 ( -0.219 0.000 -0.061) 0.227 5.484 ( -2.015 0.000 -3.051) 3.656 5.728 ( 4.466 0.000 3.552) 5.707 5.929 ( -2.401 0.000 -0.606) 2.476 6.437 ( 2.677 0.000 -1.000) 2.858 6.783 ( -8.490 0.000 -6.736) 10.838 7.491 ( 4.650 0.000 5.228) 6.997 7.850 ( 0.667 0.000 -0.683) 0.955 11.479 ( 0.935 0.000 0.179) 0.952 11.570 ( 0.045 0.000 0.073) 0.086 13.359 ( -0.392 0.000 0.617) 0.731 13.547 ( -0.590 0.000 -0.642) 0.872 14.621 ( -0.645 0.000 0.844) 1.062 14.789 ( 0.627 0.000 -1.097) 1.264 16.932 ( -0.410 0.000 0.051) 0.413 16.957 ( 0.296 0.000 -0.208) 0.362 20.713 ( -0.117 0.000 -0.459) 0.473 20.719 ( -0.490 0.000 -1.146) 1.246 20.731 ( -0.161 0.000 0.384) 0.417 20.758 ( 0.907 0.000 0.454) 1.014 21.548 ( 0.342 0.000 0.096) 0.356 21.589 ( -0.556 0.000 -0.630) 0.840 21.623 ( 0.654 0.000 1.290) 1.446 21.687 ( 0.412 0.000 1.000) 1.081 23.248 ( -0.086 0.000 0.238) 0.253 23.283 ( 0.070 0.000 -0.159) 0.174 23.521 ( -0.143 0.000 0.239) 0.278 23.568 ( 0.104 0.000 -0.260) 0.280 28.166 ( 1.648 0.000 0.041) 1.649 28.245 ( -2.759 0.000 -1.341) 3.068 28.347 ( 0.814 0.000 2.838) 2.952 28.505 ( -0.353 0.000 0.853) 0.923 31.783 ( 0.173 0.000 -1.000) 1.015 31.783 ( -1.274 0.000 -0.952) 1.591 31.816 ( 0.846 0.000 0.175) 0.864 31.829 ( -0.397 0.000 0.063) 0.402 35.757 ( 0.429 0.000 3.097) 3.126 36.207 ( -2.447 0.000 -3.739) 4.468 36.364 ( 4.955 0.000 4.018) 6.380 36.568 ( -0.982 0.000 -0.513) 1.108 39.096 ( -2.024 0.000 1.737) 2.667 39.303 ( 2.291 0.000 -0.558) 2.358 39.893 ( 1.086 0.000 4.130) 4.270 40.219 ( 2.401 0.000 2.725) 3.631 42.708 ( -0.543 0.000 1.399) 1.501 43.065 ( 2.592 0.000 -2.896) 3.887 43.185 ( -0.064 0.000 0.117) 0.133 44.064 ( 1.162 0.000 -9.320) 9.393 85.011 ( 4.165 0.000 7.838) 8.876 85.250 ( 1.538 0.000 2.340) 2.800 85.808 ( -0.229 0.000 -6.067) 6.072 87.129 ( 6.825 0.000 -9.495) 11.693 ======================= Grid point 68 (26/116) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -6.537 0.000 -3.773) 7.548 0.629 ( -6.750 0.000 -6.647) 9.474 0.877 ( 3.632 0.000 -1.572) 3.958 1.121 ( -0.728 0.000 -8.379) 8.411 1.345 ( 3.044 0.000 6.006) 6.733 1.519 ( 3.210 0.000 1.714) 3.639 1.592 ( 0.056 0.000 -0.492) 0.495 1.646 ( 4.199 0.000 4.950) 6.491 1.755 ( -4.842 0.000 -3.341) 5.882 1.839 ( -16.745 0.000 -9.052) 19.035 2.014 ( 4.446 0.000 -1.644) 4.740 2.070 ( -1.969 0.000 -3.105) 3.677 2.288 ( -2.175 0.000 8.639) 8.908 2.380 ( 2.471 0.000 4.139) 4.821 2.899 ( 0.129 0.000 -4.012) 4.014 3.018 ( -5.689 0.000 -8.336) 10.092 3.390 ( -3.131 0.000 -3.727) 4.867 3.456 ( 2.387 0.000 0.831) 2.528 3.562 ( 0.750 0.000 6.102) 6.148 3.595 ( 1.196 0.000 0.534) 1.310 3.628 ( -0.653 0.000 -0.562) 0.862 3.672 ( 1.407 0.000 -0.136) 1.413 3.708 ( 2.531 0.000 1.045) 2.738 3.967 ( -1.024 0.000 0.671) 1.224 3.976 ( 2.624 0.000 -1.978) 3.286 4.096 ( 5.139 0.000 0.527) 5.166 4.336 ( 2.644 0.000 5.493) 6.096 4.424 ( -1.595 0.000 1.082) 1.928 4.532 ( 1.413 0.000 3.067) 3.376 4.570 ( -0.879 0.000 -1.449) 1.694 4.666 ( 8.532 0.000 2.000) 8.764 4.873 ( 2.508 0.000 -1.499) 2.922 5.289 ( -1.919 0.000 0.008) 1.919 5.423 ( -1.558 0.000 -1.999) 2.535 5.822 ( -6.674 0.000 -2.399) 7.092 5.827 ( 1.307 0.000 4.289) 4.483 6.500 ( -11.340 0.000 -9.692) 14.917 6.535 ( 7.245 0.000 2.063) 7.533 7.679 ( 8.622 0.000 4.229) 9.604 7.881 ( 3.262 0.000 -1.320) 3.519 11.512 ( 1.728 0.000 0.848) 1.925 11.549 ( -1.933 0.000 -0.656) 2.041 13.373 ( 0.944 0.000 1.277) 1.589 13.530 ( -0.220 0.000 -1.360) 1.377 14.610 ( -1.156 0.000 0.747) 1.376 14.789 ( 0.422 0.000 -0.810) 0.913 16.920 ( -0.726 0.000 -0.163) 0.745 16.963 ( 0.442 0.000 -0.069) 0.447 20.703 ( -0.143 0.000 -0.787) 0.800 20.708 ( 0.160 0.000 -0.583) 0.604 20.729 ( -0.411 0.000 0.401) 0.574 20.774 ( 0.417 0.000 0.075) 0.423 21.563 ( 0.879 0.000 0.434) 0.980 21.572 ( -0.453 0.000 -0.809) 0.927 21.647 ( 0.315 0.000 1.661) 1.691 21.699 ( -0.111 0.000 0.968) 0.974 23.250 ( -0.003 0.000 0.292) 0.292 23.284 ( 0.185 0.000 -0.168) 0.250 23.520 ( -0.157 0.000 0.234) 0.282 23.568 ( 0.091 0.000 -0.270) 0.285 28.173 ( -3.050 0.000 -1.832) 3.558 28.228 ( 3.977 0.000 1.242) 4.167 28.387 ( 0.567 0.000 3.281) 3.329 28.511 ( 0.277 0.000 0.519) 0.589 31.753 ( -0.752 0.000 -0.776) 1.080 31.782 ( 0.609 0.000 -0.977) 1.151 31.821 ( -0.375 0.000 -0.194) 0.422 31.832 ( 0.583 0.000 -0.229) 0.627 35.783 ( -1.048 0.000 4.274) 4.401 36.139 ( -1.816 0.000 -1.440) 2.318 36.464 ( 1.566 0.000 3.757) 4.071 36.506 ( -4.276 0.000 -1.696) 4.600 39.054 ( -3.336 0.000 0.794) 3.429 39.357 ( 3.055 0.000 0.638) 3.121 39.947 ( -0.148 0.000 5.139) 5.141 40.307 ( 2.645 0.000 6.438) 6.960 42.700 ( -1.576 0.000 1.461) 2.149 43.099 ( 3.605 0.000 -3.434) 4.979 43.200 ( 0.292 0.000 2.494) 2.511 43.982 ( 1.898 0.000 -16.315) 16.425 85.150 ( 1.237 0.000 8.498) 8.588 85.359 ( 4.657 0.000 8.510) 9.701 85.684 ( -5.516 0.000 -7.090) 8.983 87.177 ( 9.233 0.000 -15.951) 18.431 ======================= Grid point 69 (27/116) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( -9.794 0.000 -1.855) 9.968 0.414 ( -9.478 0.000 -5.859) 11.143 0.905 ( -0.579 0.000 -8.027) 8.047 1.001 ( -3.268 0.000 -6.822) 7.564 1.316 ( -22.198 0.000 -6.562) 23.148 1.408 ( -0.210 0.000 2.305) 2.315 1.586 ( -1.108 0.000 -0.381) 1.172 1.621 ( 4.318 0.000 3.635) 5.644 1.671 ( -3.229 0.000 -1.758) 3.677 1.778 ( 3.477 0.000 4.001) 5.300 2.012 ( -0.835 0.000 -3.398) 3.499 2.116 ( 7.308 0.000 -1.080) 7.388 2.348 ( -0.256 0.000 9.497) 9.500 2.505 ( 4.266 0.000 10.097) 10.961 2.825 ( -5.249 0.000 -8.118) 9.667 2.877 ( 0.500 0.000 -2.763) 2.808 3.322 ( -2.193 0.000 -1.268) 2.533 3.485 ( 1.352 0.000 -2.312) 2.678 3.530 ( -6.482 0.000 -0.364) 6.493 3.614 ( 0.384 0.000 -0.530) 0.654 3.617 ( 0.217 0.000 4.621) 4.626 3.707 ( 0.787 0.000 1.012) 1.282 3.815 ( 2.592 0.000 1.109) 2.819 3.944 ( 1.231 0.000 -0.833) 1.486 4.033 ( 5.056 0.000 -3.259) 6.015 4.175 ( 2.868 0.000 -2.775) 3.991 4.359 ( -3.959 0.000 -1.408) 4.202 4.411 ( 2.661 0.000 2.897) 3.934 4.577 ( 2.506 0.000 -0.671) 2.595 4.596 ( 1.117 0.000 5.144) 5.264 4.862 ( 10.196 0.000 -3.306) 10.719 4.912 ( 2.672 0.000 -1.408) 3.020 5.230 ( -4.080 0.000 0.181) 4.084 5.384 ( -0.993 0.000 -2.580) 2.764 5.668 ( -6.264 0.000 -2.428) 6.718 5.832 ( -4.511 0.000 2.959) 5.395 6.230 ( -7.768 0.000 -6.864) 10.366 6.731 ( 9.133 0.000 4.299) 10.094 7.852 ( 6.891 0.000 -0.873) 6.946 7.935 ( 4.030 0.000 -2.668) 4.833 11.492 ( -2.580 0.000 -1.731) 3.107 11.547 ( 0.996 0.000 0.591) 1.159 13.418 ( 1.697 0.000 3.302) 3.713 13.516 ( 0.166 0.000 -1.429) 1.439 14.595 ( -1.104 0.000 0.830) 1.382 14.793 ( 0.576 0.000 -0.242) 0.625 16.904 ( -0.733 0.000 -0.096) 0.739 16.971 ( 0.343 0.000 -0.059) 0.348 20.701 ( 0.441 0.000 -0.293) 0.530 20.707 ( 0.147 0.000 -0.450) 0.473 20.725 ( -0.255 0.000 0.319) 0.408 20.774 ( -0.174 0.000 -0.382) 0.420 21.561 ( 0.010 0.000 -0.605) 0.605 21.585 ( 0.958 0.000 0.455) 1.061 21.661 ( -0.254 0.000 1.175) 1.202 21.697 ( -0.745 0.000 0.074) 0.749 23.254 ( 0.079 0.000 0.449) 0.456 23.286 ( 0.234 0.000 -0.174) 0.291 23.519 ( -0.155 0.000 0.261) 0.303 23.567 ( 0.092 0.000 -0.265) 0.280 28.106 ( -2.274 0.000 -1.331) 2.634 28.327 ( 4.785 0.000 1.505) 5.016 28.440 ( 1.099 0.000 5.855) 5.957 28.519 ( 0.113 0.000 -0.136) 0.177 31.746 ( 0.460 0.000 -0.158) 0.486 31.787 ( 0.779 0.000 -0.777) 1.100 31.814 ( -0.180 0.000 -0.206) 0.274 31.832 ( -0.285 0.000 -0.423) 0.510 35.802 ( -1.341 0.000 4.620) 4.811 36.123 ( 0.490 0.000 0.883) 1.009 36.388 ( -5.593 0.000 -2.543) 6.144 36.490 ( -1.708 0.000 2.398) 2.944 38.996 ( -3.108 0.000 0.605) 3.166 39.419 ( 2.708 0.000 0.455) 2.745 39.978 ( -1.042 0.000 3.861) 3.999 40.446 ( 4.257 0.000 9.880) 10.758 42.678 ( -2.069 0.000 1.409) 2.503 43.120 ( 2.799 0.000 -5.658) 6.312 43.244 ( 0.250 0.000 5.818) 5.824 43.778 ( -2.049 0.000 -34.033) 34.095 85.212 ( -0.689 0.000 4.663) 4.714 85.508 ( -5.864 0.000 -5.829) 8.268 85.537 ( 2.814 0.000 11.810) 12.141 87.085 ( 4.415 0.000 -43.183) 43.408 ======================= Grid point 70 (28/116) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.179 ( -10.537 0.000 -2.042) 10.733 0.199 ( -11.504 0.000 -1.144) 11.560 0.484 ( -25.681 0.000 -6.975) 26.612 0.912 ( -0.706 0.000 -2.764) 2.852 1.133 ( -1.079 0.000 1.236) 1.641 1.400 ( -1.738 0.000 0.926) 1.969 1.533 ( -2.562 0.000 -0.573) 2.626 1.656 ( 1.067 0.000 0.714) 1.284 1.721 ( 2.098 0.000 3.308) 3.917 1.836 ( 0.703 0.000 1.035) 1.252 1.980 ( 0.746 0.000 -2.522) 2.630 2.223 ( 4.089 0.000 -2.029) 4.565 2.431 ( -0.631 0.000 7.309) 7.336 2.723 ( 1.492 0.000 -3.631) 3.925 2.787 ( 11.923 0.000 15.190) 19.311 2.888 ( 5.316 0.000 9.990) 11.316 3.253 ( -4.863 0.000 -0.503) 4.889 3.410 ( -3.916 0.000 -0.289) 3.927 3.490 ( 1.862 0.000 -1.946) 2.694 3.591 ( -3.823 0.000 -7.920) 8.795 3.653 ( -0.333 0.000 2.589) 2.611 3.703 ( -1.349 0.000 -0.607) 1.479 3.765 ( -4.280 0.000 -0.989) 4.392 3.996 ( -10.884 0.000 -20.541) 23.247 4.018 ( 3.494 0.000 0.956) 3.623 4.132 ( 1.216 0.000 -3.869) 4.055 4.305 ( 0.171 0.000 -1.618) 1.627 4.501 ( 4.384 0.000 1.026) 4.502 4.625 ( 2.626 0.000 -0.383) 2.654 4.656 ( -0.394 0.000 3.439) 3.462 4.805 ( -9.090 0.000 -22.335) 24.114 4.932 ( 0.384 0.000 -1.183) 1.244 5.169 ( -2.087 0.000 1.098) 2.359 5.333 ( -0.744 0.000 -0.938) 1.197 5.567 ( -2.522 0.000 -0.903) 2.679 5.768 ( -2.520 0.000 4.156) 4.860 6.111 ( -1.919 0.000 0.369) 1.954 6.900 ( 4.151 0.000 1.893) 4.562 7.856 ( -3.442 0.000 -8.561) 9.227 7.984 ( 3.761 0.000 -2.400) 4.462 11.439 ( -0.974 0.000 -0.851) 1.294 11.558 ( 0.117 0.000 -0.190) 0.223 13.512 ( 0.585 0.000 -0.716) 0.925 13.525 ( 5.540 0.000 8.580) 10.213 14.584 ( -0.844 0.000 0.772) 1.144 14.804 ( 0.581 0.000 -0.923) 1.091 16.894 ( -0.398 0.000 0.221) 0.455 16.974 ( 0.146 0.000 -0.129) 0.195 20.703 ( -0.139 0.000 -0.348) 0.375 20.714 ( 0.794 0.000 0.476) 0.926 20.727 ( 0.105 0.000 0.127) 0.164 20.764 ( -0.327 0.000 -0.435) 0.545 21.562 ( 0.475 0.000 -0.117) 0.490 21.603 ( 0.476 0.000 0.169) 0.505 21.660 ( -2.566 0.000 -3.138) 4.053 21.660 ( -0.590 0.000 0.380) 0.702 23.263 ( 0.383 0.000 0.677) 0.778 23.289 ( 0.193 0.000 -0.175) 0.260 23.519 ( -0.144 0.000 0.305) 0.337 23.566 ( 0.104 0.000 -0.256) 0.277 28.069 ( -0.771 0.000 -0.082) 0.775 28.423 ( 3.779 0.000 0.793) 3.861 28.505 ( -1.071 0.000 -1.064) 1.510 28.581 ( 7.034 0.000 10.733) 12.832 31.766 ( 1.415 0.000 0.447) 1.484 31.793 ( 0.372 0.000 -0.549) 0.664 31.811 ( -0.003 0.000 0.117) 0.117 31.815 ( -1.053 0.000 -0.245) 1.081 35.805 ( -2.371 0.000 2.444) 3.405 36.110 ( -5.172 0.000 -13.128) 14.110 36.279 ( -2.916 0.000 -1.557) 3.306 36.450 ( -3.177 0.000 -0.137) 3.180 38.958 ( -1.683 0.000 1.204) 2.069 39.457 ( 1.343 0.000 -0.846) 1.587 39.976 ( -1.746 0.000 1.372) 2.220 40.493 ( -13.091 0.000 -28.786) 31.623 42.652 ( -1.726 0.000 1.154) 2.076 43.105 ( 1.752 0.000 -6.510) 6.742 43.129 ( -23.032 0.000 -37.725) 44.201 43.304 ( -0.409 0.000 6.962) 6.974 85.213 ( -2.012 0.000 1.038) 2.264 85.385 ( -2.231 0.000 -2.980) 3.723 85.644 ( -2.015 0.000 8.780) 9.008 86.030 ( -62.034 0.000 -115.305) 130.933 ======================= Grid point 71 (29/116) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -0.868 5.792 10.808) 12.293 0.461 ( 12.692 11.042 11.117) 20.164 0.750 ( 8.018 28.572 6.701) 30.423 0.933 ( 3.471 0.359 1.523) 3.807 1.247 ( -1.800 8.459 -0.778) 8.683 1.333 ( -1.110 -0.681 0.000) 1.302 1.458 ( 0.660 -4.753 -0.016) 4.799 1.603 ( 0.299 -6.995 1.535) 7.168 1.722 ( -2.036 -0.918 0.597) 2.311 1.790 ( -1.151 -4.291 -0.620) 4.486 2.066 ( 0.718 8.048 -0.556) 8.100 2.348 ( -5.798 -4.046 3.526) 7.900 2.395 ( 3.084 10.371 -9.786) 14.589 2.604 ( -15.381 1.387 -2.593) 15.660 2.860 ( -4.323 5.526 -1.167) 7.113 2.888 ( 1.265 3.143 -1.931) 3.900 3.184 ( 0.868 -2.197 1.417) 2.755 3.364 ( -0.833 -4.756 1.047) 4.941 3.410 ( 0.551 -3.326 0.311) 3.385 3.570 ( -1.089 -10.235 -0.946) 10.337 3.616 ( -0.548 -4.104 -1.600) 4.439 3.649 ( 0.170 -5.242 0.693) 5.291 3.804 ( -0.348 7.451 -2.214) 7.781 3.864 ( 29.694 -9.579 9.014) 32.477 4.023 ( -0.472 -4.784 2.465) 5.403 4.139 ( 1.225 -0.756 -1.308) 1.945 4.304 ( 0.340 -1.268 0.119) 1.318 4.382 ( -2.688 -1.103 -0.201) 2.912 4.633 ( 1.718 0.104 1.314) 2.166 4.690 ( 0.116 2.930 0.004) 2.932 4.755 ( 5.768 -5.547 3.750) 8.838 4.910 ( 0.952 -1.017 -1.136) 1.797 5.160 ( 0.141 -1.154 2.038) 2.346 5.331 ( 1.658 -1.260 0.429) 2.125 5.559 ( 0.967 0.279 1.296) 1.640 5.627 ( -3.988 -3.075 4.009) 6.436 6.216 ( 1.621 8.359 3.866) 9.351 6.960 ( -3.856 5.493 -4.431) 8.042 7.760 ( 5.964 -10.725 3.749) 12.832 7.975 ( 1.643 -5.478 -0.671) 5.759 11.523 ( -0.504 8.544 0.282) 8.564 11.643 ( -0.372 8.523 -1.085) 8.600 13.292 ( -0.270 -17.777 1.998) 17.891 13.404 ( -2.318 -16.043 2.497) 16.401 14.784 ( -0.343 18.704 0.681) 18.719 14.975 ( 0.285 20.012 -1.384) 20.062 16.886 ( -0.028 -8.663 -0.158) 8.664 17.126 ( -2.867 3.894 -14.972) 15.733 20.701 ( 0.151 0.166 -0.555) 0.598 20.715 ( -0.361 -0.428 -0.293) 0.632 20.734 ( -0.184 0.225 0.097) 0.306 20.758 ( -0.363 -0.004 -0.363) 0.513 21.559 ( -0.078 -0.885 -0.101) 0.894 21.583 ( 0.508 -1.104 -0.129) 1.222 21.628 ( 1.179 1.010 0.109) 1.556 21.656 ( -0.493 0.602 -0.218) 0.809 23.261 ( -0.334 0.362 0.369) 0.616 23.307 ( -0.087 0.696 -0.787) 1.054 23.515 ( -0.130 -0.287 0.244) 0.398 23.559 ( 0.106 -0.659 -0.230) 0.706 28.088 ( 0.848 0.922 1.523) 1.972 28.391 ( -4.751 -4.304 1.050) 6.496 28.447 ( -2.636 -1.669 0.518) 3.163 28.493 ( -0.298 -1.350 -0.052) 1.383 31.789 ( -0.740 -0.111 0.446) 0.871 31.802 ( 0.442 -0.290 0.557) 0.768 31.808 ( 0.723 -0.157 0.475) 0.879 31.817 ( 0.376 0.178 0.424) 0.594 35.546 ( 2.754 3.798 1.110) 4.821 36.023 ( -6.755 11.115 -14.041) 19.140 36.283 ( 2.363 0.721 0.833) 2.607 36.381 ( -0.936 -2.672 -0.624) 2.899 38.988 ( 0.137 2.669 2.562) 3.702 39.462 ( -0.559 0.409 -1.636) 1.776 39.596 ( 3.590 -0.097 1.437) 3.868 40.034 ( -3.310 3.415 -8.326) 9.589 42.647 ( -0.723 0.463 1.485) 1.715 42.985 ( 5.386 -6.817 -0.102) 8.689 43.359 ( 1.174 1.932 5.391) 5.846 43.655 ( 23.244 -6.021 2.819) 24.176 85.023 ( 33.023 -7.199 7.108) 34.538 85.169 ( -2.405 0.661 -2.158) 3.297 85.404 ( 11.716 -3.928 5.689) 13.603 85.707 ( 3.871 -1.401 -1.595) 4.415 ======================= Grid point 72 (30/116) ======================= q-point: ( 0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 5.452 3.201 10.072) 11.892 0.695 ( 7.028 18.674 4.616) 20.479 1.029 ( 4.661 0.879 1.561) 4.993 1.158 ( 6.323 12.647 -2.236) 14.315 1.217 ( 11.638 4.573 9.231) 15.542 1.335 ( 1.973 -2.417 1.272) 3.370 1.508 ( 3.675 -4.653 1.649) 6.154 1.609 ( -2.366 -2.881 0.923) 3.841 1.665 ( -1.776 -1.072 -1.522) 2.573 1.735 ( -3.391 -4.481 -1.387) 5.788 2.087 ( 1.607 6.417 0.403) 6.627 2.197 ( -5.262 5.980 -4.072) 8.946 2.323 ( -5.242 2.700 0.839) 5.956 2.472 ( -1.152 5.091 -0.351) 5.232 2.876 ( 1.380 -0.046 -1.033) 1.725 2.937 ( 5.288 2.252 2.641) 6.325 3.255 ( 3.517 -5.130 1.570) 6.415 3.387 ( -0.881 -9.012 2.371) 9.360 3.431 ( 2.108 -0.380 0.134) 2.146 3.516 ( -2.024 -6.981 -2.281) 7.618 3.588 ( -0.902 -0.862 -2.336) 2.648 3.683 ( 3.627 -6.973 -0.197) 7.862 3.790 ( 0.055 4.429 -0.744) 4.491 3.983 ( -4.265 -2.344 1.138) 4.998 4.136 ( 2.326 -2.458 -3.013) 4.531 4.158 ( 0.723 -4.381 -2.983) 5.349 4.320 ( 1.152 -1.580 0.150) 1.961 4.342 ( -1.872 0.961 -1.102) 2.375 4.594 ( -6.099 -0.776 1.549) 6.340 4.657 ( -2.782 1.726 0.011) 3.274 4.803 ( -1.862 -5.814 -3.533) 7.054 4.944 ( 1.491 -0.702 -2.290) 2.822 5.196 ( 1.789 -1.048 1.988) 2.873 5.453 ( 5.154 -6.845 1.862) 8.769 5.565 ( 0.816 2.049 -0.390) 2.240 5.665 ( 5.292 0.865 2.773) 6.037 6.355 ( 7.156 4.994 8.296) 12.040 6.789 ( -7.396 5.824 -6.344) 11.352 7.833 ( -2.654 -11.507 -0.138) 11.810 7.968 ( -1.945 -6.310 -0.780) 6.649 11.522 ( 0.772 8.090 0.172) 8.129 11.624 ( -0.516 8.348 -0.965) 8.419 13.288 ( -2.599 -15.960 2.145) 16.311 13.385 ( -0.288 -14.835 0.965) 14.869 14.790 ( 0.222 18.778 0.714) 18.792 14.976 ( 0.958 19.391 -1.658) 19.485 16.883 ( -0.163 -8.363 -0.248) 8.368 16.948 ( -3.682 0.351 -4.307) 5.677 20.702 ( 0.457 0.227 -0.418) 0.660 20.706 ( -0.025 -0.494 -0.324) 0.592 20.731 ( -0.199 0.020 0.307) 0.366 20.751 ( 0.171 -0.261 -0.580) 0.659 21.556 ( -0.308 -1.424 -0.086) 1.459 21.589 ( 0.265 -0.889 -0.269) 0.966 21.639 ( -0.457 0.885 -0.589) 1.157 21.660 ( 1.216 0.868 -0.563) 1.597 23.258 ( -0.268 0.533 0.278) 0.658 23.297 ( -0.226 0.606 -0.332) 0.727 23.516 ( -0.062 -0.293 0.258) 0.395 23.560 ( 0.161 -0.650 -0.226) 0.707 28.134 ( 1.781 0.324 2.750) 3.292 28.321 ( -2.909 -1.962 -1.844) 3.964 28.381 ( -3.042 0.197 0.624) 3.111 28.504 ( 0.344 -1.286 0.027) 1.332 31.771 ( -1.044 0.008 0.610) 1.210 31.807 ( -0.216 -0.516 0.456) 0.722 31.826 ( 0.337 0.121 0.320) 0.480 31.836 ( 0.799 -0.053 0.660) 1.038 35.680 ( 4.303 1.850 -0.380) 4.699 35.897 ( 5.692 6.503 -7.376) 11.362 36.342 ( 1.779 -2.257 0.426) 2.906 36.384 ( 2.763 -0.213 -0.760) 2.874 39.028 ( 1.009 2.787 3.475) 4.567 39.436 ( -1.000 3.834 -3.951) 5.596 39.745 ( 5.602 -8.081 -0.141) 9.834 39.982 ( 5.115 1.197 -7.096) 8.828 42.659 ( 0.422 0.975 1.456) 1.803 43.033 ( 3.031 -2.376 -4.249) 5.735 43.361 ( -3.833 2.243 3.417) 5.603 43.998 ( 9.320 -16.932 -1.747) 19.407 85.058 ( -3.341 1.132 -5.888) 6.864 85.338 ( 3.682 -6.927 -0.007) 7.844 85.521 ( -0.197 0.432 -0.897) 1.015 86.398 ( 43.972 -30.770 -9.130) 54.440 ======================= Grid point 73 (31/116) ======================= q-point: ( 0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 6.023 2.738 7.392) 9.920 0.854 ( 6.172 17.404 1.613) 18.536 1.063 ( -1.720 12.533 -3.862) 13.227 1.138 ( 3.251 3.564 -0.481) 4.848 1.341 ( -0.954 -4.277 1.520) 4.638 1.445 ( -4.174 -1.880 -2.957) 5.450 1.533 ( 0.835 -2.529 -3.076) 4.069 1.637 ( -1.026 -3.786 -0.666) 3.979 1.716 ( 3.995 -2.263 1.167) 4.737 1.767 ( 14.432 1.023 8.073) 16.569 2.078 ( -2.951 4.336 -3.091) 6.088 2.132 ( 1.400 4.996 0.184) 5.191 2.267 ( -2.882 3.827 4.367) 6.483 2.461 ( -0.927 5.284 1.067) 5.470 2.898 ( 1.978 -2.391 -0.610) 3.162 3.087 ( 6.450 -0.387 2.237) 6.838 3.326 ( 1.827 -7.662 0.783) 7.916 3.354 ( -2.013 -7.453 0.109) 7.721 3.440 ( 0.116 -3.313 -0.001) 3.315 3.521 ( 1.779 -2.333 0.445) 2.967 3.541 ( -1.441 -4.645 -1.897) 5.220 3.739 ( -2.458 -5.142 -0.347) 5.710 3.773 ( 2.394 1.976 -0.652) 3.171 3.912 ( -2.566 2.460 0.636) 3.611 4.069 ( -3.491 -3.886 -6.008) 7.961 4.138 ( -0.412 3.022 -1.443) 3.374 4.235 ( -6.050 1.261 -3.380) 7.044 4.365 ( 2.286 -1.193 0.623) 2.653 4.509 ( -2.989 -2.359 0.652) 3.863 4.588 ( -3.657 0.415 -0.861) 3.780 4.701 ( -5.274 -2.552 -0.933) 5.933 4.917 ( -2.007 -1.378 -1.156) 2.695 5.263 ( 3.465 -0.186 0.849) 3.573 5.491 ( 0.426 0.575 1.963) 2.090 5.631 ( 4.812 -0.417 -3.689) 6.078 5.802 ( 5.705 0.681 2.922) 6.446 6.579 ( 0.364 3.145 0.583) 3.219 6.634 ( 3.695 4.851 3.662) 7.113 7.685 ( -10.105 -7.297 -2.754) 12.764 7.893 ( -4.174 -6.388 -1.523) 7.781 11.556 ( 2.311 6.591 0.159) 6.986 11.602 ( -0.912 8.812 -0.810) 8.896 13.243 ( -3.079 -15.292 0.807) 15.620 13.402 ( 0.410 -14.366 1.251) 14.426 14.805 ( 0.507 18.676 0.889) 18.704 14.978 ( 0.841 18.487 -1.491) 18.566 16.873 ( -0.477 -7.058 -0.380) 7.084 16.894 ( -0.586 -5.378 -0.602) 5.443 20.706 ( 0.332 -0.433 -0.125) 0.559 20.714 ( 0.746 0.064 0.015) 0.749 20.732 ( -0.146 0.005 0.428) 0.453 20.750 ( 0.220 -0.138 -0.785) 0.827 21.547 ( -0.304 -1.076 -0.264) 1.149 21.589 ( 0.144 -0.822 -0.296) 0.885 21.624 ( -0.556 0.946 -0.383) 1.162 21.670 ( 0.555 0.802 -0.457) 1.077 23.255 ( -0.220 0.528 0.228) 0.616 23.291 ( -0.162 0.400 -0.182) 0.469 23.517 ( -0.057 -0.262 0.255) 0.370 23.561 ( 0.170 -0.630 -0.220) 0.688 28.198 ( 1.884 -0.550 3.173) 3.731 28.239 ( -2.925 -0.133 -2.722) 3.998 28.347 ( -1.797 -0.673 0.670) 2.033 28.504 ( -0.421 -1.233 0.381) 1.358 31.767 ( -0.001 -0.062 0.809) 0.811 31.803 ( -0.423 -0.137 0.015) 0.445 31.834 ( 0.108 0.145 0.412) 0.450 31.845 ( -0.344 -0.117 0.056) 0.368 35.706 ( 2.170 4.221 -1.864) 5.099 36.029 ( 9.107 0.541 -0.538) 9.139 36.342 ( -0.037 -1.207 -2.679) 2.938 36.463 ( 4.186 -1.087 0.900) 4.418 39.084 ( 1.407 3.039 3.363) 4.746 39.372 ( -1.683 4.417 -3.553) 5.913 39.784 ( 1.768 -4.927 -2.051) 5.622 40.054 ( 5.726 -2.416 -3.004) 6.903 42.685 ( 0.858 1.401 1.313) 2.103 43.045 ( 2.376 -0.845 -4.068) 4.786 43.297 ( -4.492 2.017 0.893) 5.005 44.054 ( 1.217 -12.465 -3.681) 13.054 84.949 ( -1.512 1.703 -5.967) 6.387 85.292 ( -4.106 -2.976 -1.366) 5.252 85.627 ( 9.266 -0.673 -0.919) 9.336 86.843 ( 16.849 -21.941 -11.304) 29.884 ======================= Grid point 74 (32/116) ======================= q-point: ( 0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 2.583 2.830 2.472) 4.560 0.941 ( 4.210 14.436 -3.302) 15.396 1.008 ( -0.224 18.437 -2.416) 18.596 1.182 ( -0.076 4.810 0.949) 4.903 1.252 ( -2.750 3.613 -3.697) 5.856 1.402 ( -0.176 -7.181 0.293) 7.189 1.529 ( -0.551 -3.477 1.696) 3.908 1.611 ( -1.119 -3.633 -0.291) 3.813 1.796 ( 3.887 0.005 -1.147) 4.053 2.002 ( 0.247 2.660 -3.028) 4.038 2.045 ( 6.794 -1.857 0.973) 7.110 2.163 ( 0.567 2.974 1.747) 3.495 2.270 ( -2.441 3.952 5.370) 7.100 2.444 ( -1.396 6.339 -0.082) 6.492 2.925 ( 0.758 -4.163 -0.935) 4.333 3.177 ( 1.703 -1.615 -0.072) 2.348 3.309 ( 0.088 -7.892 -0.031) 7.893 3.375 ( 1.993 -3.823 -0.456) 4.335 3.459 ( -1.289 -9.825 -1.015) 9.961 3.471 ( -2.526 -6.120 0.494) 6.639 3.560 ( 0.437 -3.378 0.137) 3.409 3.697 ( 0.424 -0.258 1.693) 1.765 3.817 ( 1.281 -0.980 0.121) 1.617 3.903 ( -0.655 6.645 0.043) 6.677 3.958 ( -0.388 -4.122 -4.217) 5.910 4.085 ( -5.117 4.247 0.907) 6.711 4.134 ( 0.924 3.382 -3.152) 4.715 4.405 ( 0.671 -0.518 0.531) 1.001 4.478 ( -1.491 -3.255 0.678) 3.644 4.534 ( -0.476 -1.438 -0.341) 1.553 4.616 ( -3.462 -0.878 0.716) 3.643 4.863 ( -2.314 -2.661 -0.850) 3.628 5.324 ( 2.175 2.000 0.077) 2.956 5.520 ( 0.676 0.247 0.021) 0.720 5.670 ( 3.079 2.498 -1.511) 4.244 5.911 ( 2.835 -0.375 1.646) 3.299 6.486 ( -1.799 4.361 -3.089) 5.639 6.850 ( 5.524 2.202 4.765) 7.620 7.464 ( -8.506 -4.806 -1.678) 9.913 7.811 ( -2.505 -6.368 -1.210) 6.949 11.572 ( -0.443 8.568 -0.725) 8.610 11.606 ( 1.556 6.441 0.406) 6.638 13.199 ( -1.904 -15.536 0.423) 15.658 13.411 ( -0.382 -13.649 0.453) 13.662 14.821 ( 0.184 18.465 0.977) 18.492 14.981 ( 0.802 17.889 -1.195) 17.947 16.865 ( -0.124 -7.230 -0.041) 7.231 16.886 ( -0.123 -6.772 -0.114) 6.774 20.711 ( 0.220 -0.506 -0.175) 0.579 20.722 ( -0.149 -0.533 -0.129) 0.568 20.739 ( 0.749 0.315 0.274) 0.857 20.745 ( -0.071 0.554 -0.296) 0.633 21.542 ( 0.002 -0.484 -0.131) 0.502 21.591 ( 0.214 -0.748 -0.025) 0.778 21.614 ( -0.242 0.598 -0.004) 0.645 21.677 ( 0.391 0.520 0.190) 0.678 23.254 ( -0.170 0.505 0.216) 0.575 23.288 ( -0.074 0.308 -0.147) 0.349 23.518 ( -0.088 -0.223 0.234) 0.335 23.562 ( 0.138 -0.612 -0.229) 0.668 28.179 ( -1.059 0.778 -1.558) 2.038 28.253 ( 0.709 -1.434 2.268) 2.776 28.318 ( -1.494 -0.831 0.508) 1.783 28.498 ( -0.643 -1.105 0.681) 1.449 31.782 ( 0.681 -0.215 0.572) 0.915 31.793 ( -0.313 0.028 -0.571) 0.651 31.826 ( -1.126 -0.109 -0.535) 1.251 31.837 ( -0.154 0.301 0.296) 0.449 35.748 ( 2.492 3.823 0.580) 4.600 36.193 ( 7.091 -1.111 1.503) 7.333 36.297 ( -1.647 0.199 -2.805) 3.259 36.535 ( 2.372 -1.819 0.433) 3.020 39.135 ( 0.745 3.971 2.717) 4.869 39.321 ( -0.556 3.255 -2.207) 3.972 39.815 ( 2.515 -2.700 0.390) 3.710 40.122 ( 2.907 -3.363 0.080) 4.446 42.710 ( 0.440 1.465 1.222) 1.958 43.050 ( 1.880 -0.582 -3.350) 3.885 43.230 ( -2.257 2.125 -0.641) 3.165 44.019 ( 0.006 -9.992 -5.362) 11.340 84.922 ( 2.265 1.736 -0.440) 2.887 85.228 ( -1.493 -1.638 -0.223) 2.227 85.771 ( 6.538 -1.032 -2.808) 7.190 86.949 ( 6.421 -15.411 -9.155) 19.040 ======================= Grid point 75 (33/116) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -4.498 3.986 -3.800) 7.111 0.966 ( 1.291 16.510 -3.994) 17.035 1.024 ( 1.322 19.873 -0.337) 19.920 1.145 ( 1.191 1.748 -3.615) 4.189 1.253 ( 1.506 1.124 1.233) 2.248 1.404 ( -0.515 -5.823 2.711) 6.444 1.551 ( 0.646 -1.761 3.079) 3.605 1.591 ( -0.125 -2.759 -0.843) 2.888 1.820 ( -0.006 0.285 -2.228) 2.246 1.991 ( 1.862 2.074 -2.370) 3.659 2.083 ( -3.062 -2.722 -3.137) 5.160 2.172 ( -0.752 4.633 -0.399) 4.711 2.252 ( -3.359 0.423 3.569) 4.920 2.432 ( 0.098 7.850 1.944) 8.087 2.894 ( -1.094 -4.727 -3.786) 6.154 3.166 ( -1.422 0.539 -2.571) 2.987 3.319 ( 0.220 -9.265 -0.664) 9.292 3.414 ( -1.565 -9.530 -1.729) 9.811 3.437 ( 1.198 -3.771 0.775) 4.032 3.444 ( 2.804 -4.917 2.325) 6.120 3.547 ( -0.745 -4.784 -0.741) 4.898 3.705 ( -1.452 -1.032 0.772) 1.942 3.833 ( -0.131 7.376 -2.133) 7.680 3.862 ( -0.513 -4.010 0.556) 4.081 4.007 ( 3.226 -0.259 0.917) 3.364 4.043 ( 0.452 2.700 0.942) 2.896 4.205 ( 5.729 3.705 4.425) 8.132 4.403 ( -0.566 -1.696 0.335) 1.819 4.464 ( -0.581 -3.283 0.906) 3.455 4.554 ( 1.192 -1.141 0.797) 1.833 4.581 ( -0.796 -1.302 0.459) 1.594 4.831 ( 0.234 -2.969 -1.092) 3.173 5.346 ( 0.190 3.704 0.083) 3.710 5.498 ( -1.390 1.227 -2.411) 3.041 5.742 ( 3.218 1.348 2.782) 4.462 5.922 ( -2.284 -0.667 -0.645) 2.465 6.476 ( 2.839 4.180 -0.783) 5.113 6.808 ( -8.471 2.567 -6.420) 10.935 7.445 ( 4.387 -4.599 5.022) 8.101 7.786 ( 0.755 -6.298 -0.664) 6.378 11.571 ( 0.822 8.948 0.046) 8.986 11.623 ( -0.217 5.592 0.149) 5.598 13.184 ( -0.121 -15.365 0.733) 15.383 13.396 ( -0.893 -13.701 -0.865) 13.757 14.826 ( -0.540 18.478 0.866) 18.507 14.986 ( 0.734 17.865 -0.932) 17.904 16.865 ( 0.093 -7.124 0.110) 7.125 16.886 ( 0.108 -6.859 -0.044) 6.860 20.709 ( -0.179 -0.280 -0.346) 0.480 20.712 ( -0.099 -0.520 -0.848) 0.999 20.740 ( -0.346 0.658 0.118) 0.752 20.759 ( 0.648 0.112 0.474) 0.810 21.545 ( 0.279 -0.184 0.201) 0.390 21.590 ( -0.236 -0.055 -0.323) 0.404 21.622 ( 0.583 -0.003 1.075) 1.223 21.689 ( 0.284 0.127 0.755) 0.816 23.253 ( -0.087 0.491 0.227) 0.548 23.286 ( 0.074 0.291 -0.144) 0.333 23.518 ( -0.130 -0.208 0.211) 0.323 23.562 ( 0.100 -0.604 -0.248) 0.660 28.176 ( 1.434 0.794 -0.077) 1.641 28.238 ( -2.291 -0.534 -0.706) 2.456 28.327 ( 0.536 -1.763 2.369) 3.001 28.495 ( -0.270 -1.094 0.599) 1.276 31.777 ( -1.105 -0.425 -0.950) 1.518 31.784 ( -0.013 -0.114 -0.888) 0.895 31.818 ( 0.722 0.176 0.172) 0.763 31.834 ( -0.324 0.357 -0.030) 0.483 35.795 ( 0.728 3.675 2.677) 4.605 36.201 ( -2.748 -0.633 -3.509) 4.502 36.353 ( 4.540 -1.002 3.776) 5.989 36.550 ( -0.772 -1.778 -0.490) 2.000 39.144 ( -2.168 4.740 1.578) 5.446 39.324 ( 2.347 2.093 -0.440) 3.175 39.875 ( 1.214 -1.775 3.825) 4.388 40.176 ( 1.882 -4.297 2.491) 5.311 42.721 ( -0.563 1.336 1.227) 1.900 43.062 ( 2.541 -0.560 -2.610) 3.685 43.206 ( 0.061 2.177 -0.306) 2.200 43.961 ( 0.403 -9.557 -8.376) 12.714 85.020 ( 3.914 0.886 7.155) 8.204 85.236 ( 1.434 -1.334 2.277) 3.004 85.794 ( -0.255 -0.935 -5.506) 5.590 86.967 ( 4.658 -15.240 -9.142) 18.372 ======================= Grid point 76 (34/116) ======================= q-point: (-0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -7.966 2.963 -4.685) 9.705 0.871 ( -5.934 20.341 -4.620) 21.687 1.051 ( 2.703 12.372 -2.460) 12.900 1.120 ( 0.018 3.770 -6.704) 7.691 1.325 ( 1.891 -2.257 4.732) 5.574 1.446 ( 1.322 -4.037 3.513) 5.512 1.593 ( 0.986 -1.894 -0.714) 2.251 1.630 ( 4.141 -1.434 4.749) 6.462 1.751 ( -4.894 -0.422 -3.333) 5.936 1.837 ( -15.130 -0.311 -8.030) 17.131 2.032 ( 3.282 2.134 -1.323) 4.132 2.133 ( -0.488 6.198 -3.092) 6.944 2.246 ( -1.367 -1.839 4.959) 5.463 2.489 ( 1.873 8.141 5.881) 10.217 2.852 ( 0.917 -3.567 -4.249) 5.623 3.053 ( -5.784 2.362 -6.993) 9.378 3.310 ( 0.205 -8.726 -1.652) 8.883 3.360 ( -1.791 -8.228 0.251) 8.425 3.482 ( 0.874 -4.335 2.283) 4.977 3.547 ( 1.875 -4.855 1.439) 5.400 3.574 ( 4.120 -4.300 3.033) 6.683 3.684 ( -0.017 -2.026 -0.023) 2.026 3.818 ( -0.049 8.616 -1.138) 8.691 3.843 ( -0.875 -6.389 -1.022) 6.529 4.069 ( 2.927 4.663 -0.631) 5.542 4.099 ( 4.017 -0.938 0.748) 4.192 4.345 ( 1.677 1.147 4.937) 5.338 4.409 ( -0.324 -1.154 1.009) 1.567 4.474 ( 1.548 -4.431 1.347) 4.883 4.568 ( 0.103 -1.579 1.133) 1.946 4.617 ( 4.728 -3.562 -0.045) 5.919 4.858 ( 3.499 -2.070 -1.134) 4.221 5.329 ( -2.531 3.375 0.578) 4.258 5.444 ( -1.863 1.929 -2.302) 3.534 5.798 ( -2.751 -1.710 1.841) 3.725 5.833 ( -3.484 0.105 -0.508) 3.522 6.519 ( -9.623 2.821 -7.715) 12.652 6.592 ( 5.856 5.448 0.982) 8.058 7.614 ( 7.296 -6.302 3.784) 10.357 7.821 ( 3.445 -6.029 -1.167) 7.042 11.599 ( 1.013 7.771 0.522) 7.854 11.600 ( -1.505 6.214 -0.390) 6.406 13.206 ( 1.232 -14.721 1.505) 14.849 13.367 ( -0.700 -14.486 -1.724) 14.605 14.818 ( -1.038 18.677 0.772) 18.722 14.992 ( 0.729 18.331 -0.654) 18.357 16.873 ( 0.567 -6.644 0.290) 6.675 16.891 ( 0.655 -5.829 0.018) 5.866 20.700 ( -0.110 -0.225 -0.573) 0.626 20.708 ( 0.290 -0.128 -0.665) 0.737 20.733 ( -0.569 0.432 0.376) 0.807 20.770 ( 0.161 -0.262 0.214) 0.375 21.553 ( 0.096 -0.390 0.318) 0.512 21.584 ( 0.196 0.583 -0.382) 0.724 21.646 ( 0.450 -0.113 1.542) 1.610 21.698 ( -0.119 -0.189 0.675) 0.711 23.255 ( -0.005 0.481 0.268) 0.550 23.288 ( 0.245 0.346 -0.144) 0.448 23.517 ( -0.159 -0.224 0.207) 0.344 23.561 ( 0.079 -0.607 -0.256) 0.664 28.170 ( -2.529 -0.187 -1.382) 2.888 28.239 ( 3.469 1.017 1.087) 3.775 28.361 ( 0.449 -2.404 2.836) 3.745 28.499 ( 0.272 -1.256 0.296) 1.319 31.748 ( -0.703 -0.393 -0.837) 1.161 31.780 ( 0.462 -0.205 -0.858) 0.996 31.826 ( -0.314 0.382 -0.297) 0.577 31.832 ( 0.508 0.067 -0.156) 0.536 35.821 ( -1.173 3.597 3.693) 5.287 36.124 ( -2.295 -1.272 -1.522) 3.033 36.435 ( -0.143 -2.240 2.437) 3.313 36.506 ( -2.251 -0.645 -0.526) 2.400 39.093 ( -3.801 3.832 0.603) 5.431 39.389 ( 3.796 3.073 0.750) 4.941 39.912 ( -1.632 -3.287 4.653) 5.926 40.250 ( 2.119 -5.408 5.496) 7.996 42.710 ( -1.674 1.065 1.220) 2.329 43.101 ( 3.706 -0.469 -2.229) 4.350 43.215 ( 0.172 1.829 0.959) 2.072 43.866 ( 0.011 -10.359 -14.474) 17.799 85.151 ( 1.357 0.205 8.067) 8.183 85.329 ( 3.455 -2.665 7.150) 8.376 85.680 ( -5.070 -0.232 -5.999) 7.858 86.931 ( 1.764 -21.997 -15.600) 27.025 ======================= Grid point 77 (35/116) ======================= q-point: (-0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -9.180 2.799 -2.653) 9.957 0.698 ( -7.796 20.917 -4.196) 22.714 0.995 ( -2.476 -0.601 -6.206) 6.708 1.092 ( -2.802 16.315 -6.530) 17.795 1.341 ( -8.880 1.591 -1.361) 9.123 1.393 ( -8.038 0.212 -1.324) 8.149 1.489 ( 0.376 -6.010 1.021) 6.108 1.636 ( -5.023 -2.574 -1.638) 5.876 1.658 ( 2.118 -0.383 1.246) 2.487 1.755 ( 2.760 -1.960 4.306) 5.477 2.071 ( 1.523 5.363 -2.773) 6.227 2.157 ( 6.058 4.910 -0.429) 7.810 2.289 ( 0.142 -3.134 6.874) 7.556 2.610 ( 3.729 7.238 9.506) 12.516 2.821 ( -1.208 -0.492 -6.130) 6.267 2.893 ( -2.288 1.732 -4.324) 5.190 3.293 ( -1.264 -3.409 -0.300) 3.649 3.346 ( -0.269 -9.801 0.126) 9.806 3.511 ( -0.770 -5.602 1.042) 5.750 3.528 ( -2.827 -4.441 -0.510) 5.289 3.627 ( 0.308 -0.828 1.353) 1.616 3.729 ( -1.105 -6.875 -0.580) 6.988 3.814 ( 3.364 -1.708 2.076) 4.306 3.844 ( 1.846 2.453 -2.692) 4.083 4.113 ( 2.992 3.345 -2.901) 5.344 4.159 ( 1.235 -1.168 -1.783) 2.464 4.354 ( -3.536 -0.470 -0.585) 3.614 4.401 ( 2.348 -0.893 2.191) 3.333 4.547 ( 1.651 -2.846 3.967) 5.154 4.599 ( 2.309 -0.211 -0.182) 2.325 4.723 ( 5.808 -8.752 -2.774) 10.864 4.920 ( 3.495 -1.900 -2.035) 4.468 5.262 ( -5.074 2.403 0.566) 5.642 5.379 ( -2.432 -0.555 -2.786) 3.740 5.676 ( -5.709 0.676 -1.867) 6.044 5.781 ( -6.839 -3.571 2.302) 8.052 6.275 ( -6.675 5.694 -5.100) 10.148 6.784 ( 9.192 5.225 4.000) 11.304 7.747 ( 4.142 -9.494 -0.437) 10.368 7.880 ( 4.220 -5.499 -2.382) 7.329 11.550 ( -2.153 6.482 -0.863) 6.884 11.628 ( 0.953 8.022 0.408) 8.089 13.248 ( 1.002 -14.809 2.217) 15.007 13.349 ( 0.481 -14.888 -0.821) 14.918 14.804 ( -1.114 18.790 0.759) 18.838 15.000 ( 0.541 18.709 -0.554) 18.725 16.885 ( 0.263 -8.320 0.107) 8.325 16.934 ( 4.480 -0.085 0.471) 4.505 20.698 ( 0.353 -0.169 -0.282) 0.482 20.711 ( 0.535 0.159 -0.376) 0.673 20.726 ( -0.536 0.176 0.381) 0.681 20.769 ( -0.292 -0.359 -0.043) 0.465 21.553 ( -0.023 -0.421 -0.062) 0.426 21.591 ( 0.393 0.190 0.053) 0.440 21.662 ( -0.050 0.081 1.113) 1.117 21.692 ( -0.881 -0.438 -0.224) 1.009 23.258 ( 0.023 0.433 0.354) 0.560 23.293 ( 0.454 0.516 -0.137) 0.701 23.516 ( -0.159 -0.253 0.236) 0.381 23.560 ( 0.075 -0.622 -0.245) 0.673 28.112 ( -2.078 0.662 -1.083) 2.435 28.329 ( 4.440 0.197 1.315) 4.635 28.399 ( 0.240 -3.385 4.371) 5.534 28.507 ( 0.267 -1.380 -0.061) 1.407 31.741 ( 0.495 -0.389 -0.265) 0.683 31.785 ( 0.685 -0.260 -0.436) 0.853 31.818 ( -0.207 0.384 -0.347) 0.557 31.832 ( -0.297 0.021 -0.322) 0.439 35.805 ( -4.194 0.590 2.343) 4.840 36.109 ( 1.138 -0.734 1.479) 2.005 36.373 ( -4.337 -1.629 -1.545) 4.884 36.487 ( -2.036 -0.582 1.566) 2.634 39.027 ( -3.311 3.115 0.480) 4.572 39.466 ( 3.321 4.345 0.596) 5.501 39.894 ( -4.236 -7.744 3.004) 9.324 40.343 ( 0.724 -8.366 6.847) 10.835 42.683 ( -2.239 0.591 1.155) 2.588 43.149 ( 3.574 -0.771 -3.222) 4.874 43.211 ( -2.440 -0.223 0.602) 2.523 43.667 ( -2.799 -8.078 -23.458) 24.967 85.213 ( -0.631 0.155 4.366) 4.414 85.410 ( -3.009 -6.233 1.865) 7.169 85.573 ( -1.899 0.622 2.903) 3.524 86.632 ( -13.820 -34.795 -33.984) 50.562 ======================= Grid point 78 (36/116) ======================= q-point: (-0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( -5.731 6.704 3.124) 9.357 0.467 ( -13.155 13.624 -3.519) 19.263 0.779 ( -11.010 25.593 -3.776) 28.115 0.918 ( -1.397 0.963 -2.578) 3.087 1.265 ( -0.376 11.101 0.941) 11.147 1.359 ( -2.050 -2.273 1.230) 3.299 1.475 ( -1.716 -5.583 -0.563) 5.868 1.581 ( 0.249 -6.166 0.522) 6.193 1.716 ( 1.337 -1.655 1.777) 2.772 1.802 ( -0.185 -2.935 1.311) 3.220 2.064 ( 0.606 7.938 -1.890) 8.182 2.298 ( 7.781 5.462 -1.740) 9.665 2.368 ( 0.680 -3.471 7.210) 8.031 2.722 ( 0.069 -0.118 -2.148) 2.152 2.862 ( 4.896 4.018 1.002) 6.412 2.886 ( 7.757 0.948 11.996) 14.317 3.243 ( -4.469 -1.951 -0.041) 4.877 3.355 ( 1.448 -6.047 1.867) 6.492 3.427 ( -2.843 -2.250 -0.662) 3.686 3.509 ( -2.382 -7.835 -5.161) 9.680 3.637 ( -0.831 -0.318 0.421) 0.984 3.653 ( -3.529 -9.241 -1.245) 9.970 3.833 ( -2.335 -0.765 -7.799) 8.177 3.843 ( -6.416 0.018 -3.895) 7.506 4.031 ( -4.503 -4.362 -5.092) 8.076 4.140 ( 0.275 1.506 -1.710) 2.295 4.306 ( -0.753 -0.279 -0.513) 0.953 4.455 ( -1.682 -4.533 0.310) 4.845 4.569 ( 0.493 -4.079 -0.845) 4.194 4.650 ( 3.379 2.034 -0.512) 3.977 4.716 ( -1.942 -3.053 -1.941) 4.106 4.923 ( -0.103 -1.454 -1.747) 2.276 5.170 ( -3.332 -0.073 0.696) 3.404 5.333 ( -0.555 -0.334 -0.210) 0.681 5.576 ( -3.099 0.726 -0.920) 3.313 5.669 ( -6.189 -3.666 5.045) 8.786 6.191 ( -0.958 8.220 0.652) 8.302 6.959 ( 5.175 5.133 1.584) 7.458 7.736 ( -2.666 -9.849 -2.843) 10.592 7.933 ( 3.679 -5.048 -2.130) 6.599 11.521 ( -0.210 8.360 0.074) 8.363 11.644 ( 0.675 8.244 -0.166) 8.273 13.275 ( 0.197 -17.098 1.561) 17.170 13.380 ( 1.233 -14.931 3.189) 15.318 14.791 ( -0.947 18.724 0.690) 18.761 14.995 ( -0.494 18.716 -1.110) 18.755 16.887 ( 0.039 -8.661 -0.060) 8.661 17.093 ( 13.104 4.608 -4.169) 14.502 20.703 ( 0.248 -0.088 -0.384) 0.465 20.720 ( -0.234 0.164 0.272) 0.394 20.726 ( 0.842 0.207 0.289) 0.914 20.762 ( -0.207 -0.069 -0.078) 0.231 21.556 ( 0.366 -0.492 -0.012) 0.613 21.592 ( -0.412 -0.900 -0.172) 1.005 21.652 ( -2.380 -0.218 -1.601) 2.877 21.664 ( -0.427 0.351 0.377) 0.669 23.261 ( -0.093 0.271 0.435) 0.521 23.303 ( 0.808 0.682 -0.298) 1.099 23.516 ( -0.142 -0.280 0.266) 0.412 23.560 ( 0.085 -0.644 -0.231) 0.689 28.079 ( -0.727 1.040 0.014) 1.269 28.415 ( 3.385 -0.639 0.565) 3.491 28.439 ( -1.586 -6.119 4.401) 7.702 28.511 ( -0.215 -2.477 1.407) 2.857 31.761 ( 1.476 -0.350 0.439) 1.579 31.797 ( 0.640 0.174 0.030) 0.664 31.809 ( -0.567 -0.071 -0.053) 0.574 31.819 ( -0.620 0.216 -0.114) 0.667 35.678 ( -10.010 -3.555 -1.016) 10.671 36.174 ( 3.493 1.520 -2.071) 4.336 36.291 ( -2.624 -0.158 -2.181) 3.416 36.435 ( -3.642 -1.321 -0.740) 3.945 38.986 ( -1.703 2.809 1.110) 3.467 39.514 ( 1.359 5.122 -0.536) 5.327 39.764 ( -12.781 -14.849 -1.688) 19.665 40.288 ( -10.487 -8.863 -7.202) 15.505 42.655 ( -1.597 0.347 1.318) 2.100 42.994 ( -10.334 -7.186 -9.648) 15.859 43.218 ( 6.134 6.656 -2.410) 9.367 43.467 ( 1.466 6.195 -7.697) 9.988 85.190 ( -8.152 -4.483 -4.771) 10.455 85.298 ( -12.771 -8.322 -5.305) 16.140 85.418 ( -20.522 -8.011 -14.285) 26.256 85.820 ( -16.259 -8.218 -17.387) 25.183 ======================= Grid point 79 (37/116) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -0.374 9.877 6.891) 12.049 0.690 ( 8.290 11.723 6.748) 15.865 0.920 ( 4.250 0.302 1.767) 4.612 1.090 ( -0.419 -5.108 1.724) 5.407 1.276 ( 0.152 -10.097 -0.738) 10.125 1.407 ( 2.534 0.344 3.335) 4.203 1.453 ( -0.196 15.346 0.430) 15.354 1.630 ( -2.003 11.551 -3.213) 12.155 1.701 ( -1.345 -2.893 -1.144) 3.389 1.741 ( -0.174 9.373 2.060) 9.598 2.267 ( -0.844 10.405 0.124) 10.440 2.289 ( -1.562 -0.906 2.767) 3.304 2.521 ( 1.255 0.855 -4.507) 4.755 2.635 ( -2.704 3.306 -3.038) 5.241 2.921 ( 0.950 -0.040 0.139) 0.961 2.964 ( -2.495 2.677 -1.261) 3.870 3.080 ( -1.693 -8.820 1.120) 9.051 3.208 ( -2.371 -13.342 -0.509) 13.561 3.325 ( -0.590 -6.754 -1.257) 6.896 3.404 ( -0.266 -1.321 0.312) 1.383 3.431 ( 0.470 -7.863 0.444) 7.889 3.625 ( 0.800 -0.942 -0.404) 1.300 3.727 ( 13.323 -4.261 7.412) 15.830 3.817 ( -0.455 -7.363 -0.966) 7.440 4.024 ( 0.236 6.239 0.153) 6.245 4.143 ( 0.005 1.310 -0.904) 1.591 4.265 ( -0.324 -2.457 0.164) 2.483 4.359 ( -0.208 -1.777 -1.320) 2.224 4.635 ( 2.184 0.112 1.129) 2.461 4.686 ( -0.313 -2.056 3.063) 3.702 4.756 ( 0.333 3.411 0.037) 3.428 4.888 ( 0.679 -1.071 -0.841) 1.521 5.138 ( 0.010 -0.706 1.167) 1.364 5.287 ( -0.395 -3.340 -0.506) 3.401 5.573 ( 1.143 1.075 1.814) 2.399 5.605 ( -1.616 0.025 2.577) 3.042 6.458 ( 1.231 15.340 2.944) 15.669 7.107 ( -3.278 9.314 -3.839) 10.594 7.505 ( 2.448 -14.888 2.710) 15.330 7.817 ( 0.777 -10.159 -1.237) 10.263 11.763 ( -0.139 15.072 0.421) 15.078 11.881 ( -0.476 15.097 -0.801) 15.126 12.911 ( 0.472 -20.062 1.523) 20.125 13.037 ( -1.070 -19.877 1.181) 19.941 15.240 ( -0.351 25.526 0.653) 25.536 15.460 ( 0.316 27.249 -1.897) 27.317 16.634 ( -0.058 -16.392 0.171) 16.393 16.979 ( -1.498 -15.894 -8.514) 18.093 20.703 ( 0.150 0.034 -0.390) 0.419 20.709 ( -0.369 -0.187 -0.315) 0.520 20.739 ( -0.334 0.282 0.024) 0.438 20.757 ( -0.298 -0.137 -0.278) 0.430 21.544 ( -0.319 -0.571 -0.445) 0.791 21.562 ( 0.289 -0.995 -0.328) 1.087 21.647 ( 0.775 0.872 0.233) 1.190 21.666 ( -0.299 0.370 -0.025) 0.476 23.274 ( -0.147 0.898 0.243) 0.942 23.313 ( 0.006 0.040 -0.396) 0.398 23.510 ( -0.084 -0.211 0.156) 0.276 23.542 ( 0.087 -1.013 -0.177) 1.032 28.116 ( 0.405 1.968 1.210) 2.346 28.311 ( -2.213 -3.873 0.903) 4.551 28.424 ( -0.794 -0.842 -0.350) 1.209 28.461 ( 0.429 -1.756 -0.184) 1.817 31.785 ( -0.793 -0.191 0.590) 1.007 31.793 ( 0.321 -0.411 0.784) 0.942 31.811 ( 0.379 0.292 0.147) 0.500 31.819 ( 0.552 0.070 0.371) 0.668 35.654 ( 1.814 6.886 1.314) 7.241 36.095 ( -2.915 -2.317 -5.302) 6.479 36.285 ( -0.548 -0.173 -0.208) 0.611 36.337 ( 0.354 -1.344 -2.020) 2.452 39.067 ( 0.288 5.087 2.330) 5.602 39.424 ( 0.973 -4.301 1.061) 4.536 39.645 ( -0.412 5.078 -1.560) 5.329 40.023 ( -2.890 -3.642 -6.233) 7.776 42.664 ( -0.211 1.250 1.740) 2.153 42.859 ( 4.232 -5.556 2.110) 7.296 43.413 ( 1.730 3.096 2.107) 4.126 43.577 ( 5.647 -2.732 -0.065) 6.273 84.997 ( 11.851 2.665 3.590) 12.666 85.197 ( -3.426 2.059 -1.944) 4.445 85.318 ( 7.901 -4.409 4.007) 9.896 85.608 ( -1.852 -7.277 -0.234) 7.512 ======================= Grid point 80 (38/116) ======================= q-point: ( 0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 4.208 7.023 7.669) 11.218 0.927 ( 8.781 3.311 2.608) 9.740 1.092 ( 8.371 5.173 5.877) 11.462 1.143 ( 3.190 -5.969 1.706) 6.980 1.303 ( 3.192 -9.123 -0.551) 9.681 1.435 ( -1.005 9.940 -5.182) 11.255 1.519 ( 5.012 -4.206 4.051) 7.695 1.615 ( -0.650 2.794 -1.254) 3.131 1.637 ( 1.232 10.610 2.757) 11.032 1.738 ( -1.833 12.160 -0.051) 12.297 2.215 ( -4.235 3.731 1.179) 5.766 2.305 ( 0.395 7.539 0.352) 7.557 2.410 ( -5.705 3.821 -1.081) 6.951 2.601 ( 0.841 6.823 -3.157) 7.565 2.903 ( -1.508 2.653 -1.561) 3.428 2.973 ( 3.518 0.139 1.281) 3.747 3.083 ( 0.383 -11.428 1.477) 11.529 3.156 ( -3.166 -16.089 -0.552) 16.407 3.330 ( 0.936 -6.839 1.452) 7.054 3.418 ( 0.719 -2.787 0.788) 2.984 3.506 ( 5.067 -6.632 0.398) 8.355 3.586 ( -1.769 -1.229 -1.847) 2.837 3.797 ( -1.808 -4.244 0.633) 4.656 3.943 ( 3.254 -7.132 -2.537) 8.239 4.052 ( 1.949 4.203 1.010) 4.742 4.154 ( 2.073 0.825 -1.672) 2.788 4.275 ( 1.352 -2.705 -0.135) 3.027 4.348 ( -0.080 -0.866 -1.403) 1.651 4.590 ( -7.837 0.417 1.657) 8.021 4.684 ( -2.617 -1.113 0.440) 2.878 4.722 ( -3.187 0.155 0.343) 3.209 4.907 ( 0.318 -2.628 -0.718) 2.743 5.178 ( 3.255 -0.435 0.736) 3.365 5.330 ( 5.116 -5.330 1.235) 7.490 5.612 ( 1.646 2.413 0.876) 3.050 5.675 ( 5.491 0.238 3.063) 6.292 6.545 ( 3.838 13.402 6.199) 15.257 6.953 ( -6.953 10.420 -5.685) 13.757 7.562 ( -0.718 -15.122 1.953) 15.264 7.785 ( -2.552 -11.654 -1.767) 12.060 11.759 ( -0.554 15.303 0.409) 15.318 11.861 ( -0.454 15.077 -0.706) 15.101 12.924 ( -1.482 -19.697 1.578) 19.816 13.026 ( -0.077 -19.986 0.873) 20.005 15.245 ( 0.186 25.483 0.693) 25.493 15.445 ( 0.112 26.256 -2.152) 26.344 16.636 ( 0.037 -16.157 0.265) 16.159 16.831 ( -4.672 -12.378 -6.129) 14.581 20.697 ( -0.170 -0.261 -0.367) 0.481 20.706 ( 0.390 -0.024 -0.379) 0.544 20.732 ( -0.274 0.211 0.208) 0.404 20.750 ( 0.007 0.004 -0.309) 0.309 21.535 ( -0.123 -0.603 -0.438) 0.756 21.566 ( 0.483 -1.232 -0.622) 1.462 21.656 ( -0.402 0.781 -0.253) 0.914 21.672 ( 0.992 0.383 0.045) 1.065 23.272 ( -0.234 0.901 0.216) 0.956 23.306 ( -0.293 0.228 -0.298) 0.476 23.510 ( -0.005 -0.199 0.172) 0.263 23.543 ( 0.161 -0.996 -0.178) 1.025 28.146 ( 1.042 0.947 2.004) 2.449 28.273 ( -1.788 -2.719 -0.833) 3.359 28.385 ( -2.363 0.316 -0.210) 2.393 28.469 ( 0.230 -2.078 -0.089) 2.092 31.770 ( -1.009 -0.000 0.809) 1.293 31.795 ( -0.254 -0.598 0.612) 0.892 31.831 ( 0.394 0.285 0.258) 0.551 31.836 ( 0.785 0.032 0.579) 0.976 35.752 ( 4.890 5.096 1.437) 7.208 35.997 ( 0.107 2.739 -5.388) 6.045 36.285 ( 1.444 -2.573 -0.356) 2.972 36.369 ( 3.239 -1.502 -1.079) 3.730 39.112 ( 1.468 5.506 3.230) 6.550 39.517 ( 5.624 0.562 -2.634) 6.236 39.607 ( -1.647 -2.276 0.526) 2.859 39.954 ( 2.094 -3.676 -6.401) 7.673 42.691 ( 1.121 2.375 1.888) 3.235 42.960 ( 4.475 -4.858 -0.913) 6.668 43.415 ( -2.910 2.883 1.467) 4.351 43.705 ( 5.302 -11.079 1.744) 12.405 85.094 ( -3.070 2.538 -4.773) 6.217 85.230 ( 4.408 -3.261 1.363) 5.650 85.495 ( 2.944 -2.451 -0.197) 3.836 85.874 ( 28.929 -20.290 4.005) 35.562 ======================= Grid point 81 (39/116) ======================= q-point: ( 0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 6.224 5.445 6.921) 10.783 1.083 ( 7.124 1.254 -0.859) 7.284 1.182 ( 0.054 -1.753 0.498) 1.823 1.275 ( 4.463 9.334 1.588) 10.467 1.361 ( 2.132 -7.116 0.788) 7.471 1.367 ( 1.307 7.773 -2.439) 8.251 1.534 ( -2.618 -5.685 -2.355) 6.687 1.644 ( 1.689 4.570 -0.233) 4.878 1.687 ( 1.795 11.128 -0.197) 11.274 1.830 ( 8.950 6.901 4.692) 12.237 2.148 ( -4.087 3.132 1.297) 5.310 2.250 ( -3.531 4.867 -1.653) 6.236 2.386 ( 0.691 7.978 2.539) 8.400 2.600 ( 0.675 7.884 -0.592) 7.935 2.872 ( -0.534 0.066 -0.807) 0.970 3.044 ( 1.715 -7.858 -0.061) 8.043 3.084 ( -2.982 -17.723 -0.869) 17.993 3.130 ( 2.837 -8.546 2.326) 9.300 3.359 ( 0.368 -4.422 0.646) 4.484 3.435 ( 0.509 -4.959 0.640) 5.026 3.487 ( -3.277 -3.289 -2.565) 5.304 3.633 ( 3.511 -3.544 1.147) 5.119 3.764 ( -1.730 -1.725 1.405) 2.818 3.912 ( -1.128 -6.048 -5.230) 8.074 4.068 ( 0.165 6.485 -0.282) 6.493 4.179 ( 2.590 1.188 -3.584) 4.578 4.282 ( -2.969 1.966 -1.203) 3.758 4.327 ( 0.771 -1.800 0.812) 2.120 4.461 ( -4.975 -1.689 0.532) 5.281 4.614 ( -4.694 1.745 -0.367) 5.021 4.637 ( -5.320 -3.335 1.477) 6.450 4.861 ( -3.525 -4.106 -1.120) 5.526 5.271 ( 5.786 1.035 -0.080) 5.878 5.450 ( 5.132 -3.969 0.576) 6.513 5.671 ( 3.715 3.640 0.009) 5.201 5.808 ( 5.050 -0.259 2.526) 5.652 6.693 ( 2.409 8.682 3.842) 9.795 6.798 ( -1.695 11.224 -0.652) 11.370 7.489 ( -6.819 -11.806 -1.264) 13.692 7.704 ( -3.762 -12.249 -1.748) 12.933 11.759 ( 0.240 13.529 0.217) 13.532 11.852 ( -0.186 15.903 -0.180) 15.905 12.882 ( -3.091 -19.851 0.227) 20.092 13.053 ( 0.962 -19.729 1.495) 19.809 15.258 ( 0.353 25.376 0.807) 25.392 15.427 ( 0.098 25.140 -1.837) 25.207 16.639 ( -0.090 -15.730 0.290) 15.733 16.726 ( -2.244 -12.447 -2.503) 12.893 20.696 ( 0.280 -0.411 -0.190) 0.533 20.711 ( 0.237 -0.439 -0.084) 0.506 20.735 ( 0.332 0.466 0.304) 0.648 20.752 ( 0.320 0.195 -0.142) 0.401 21.532 ( 0.155 -0.432 -0.361) 0.584 21.568 ( 0.405 -1.200 -0.609) 1.406 21.643 ( -0.658 0.980 -0.303) 1.218 21.682 ( 0.216 0.260 -0.166) 0.377 23.270 ( -0.246 0.853 0.195) 0.909 23.299 ( -0.269 0.248 -0.164) 0.401 23.512 ( 0.028 -0.171 0.173) 0.245 23.544 ( 0.178 -0.968 -0.179) 1.000 28.187 ( 1.019 -0.434 2.299) 2.552 28.228 ( -1.585 -1.042 -1.628) 2.500 28.342 ( -2.169 0.467 0.276) 2.236 28.468 ( -0.281 -2.331 0.105) 2.350 31.767 ( -0.125 0.113 0.945) 0.960 31.797 ( -0.275 -0.467 0.533) 0.760 31.836 ( -0.024 0.096 -0.025) 0.103 31.845 ( -0.103 0.123 0.078) 0.178 35.815 ( 2.480 6.274 -1.463) 6.903 36.038 ( 5.615 0.082 0.137) 5.617 36.315 ( 1.662 -1.171 -1.385) 2.460 36.424 ( 3.234 -2.777 -0.247) 4.270 39.175 ( 2.194 5.964 2.740) 6.920 39.488 ( -2.889 6.548 -2.799) 7.685 39.660 ( 4.937 -6.661 -0.996) 8.351 39.975 ( 3.668 -5.553 -2.507) 7.112 42.730 ( 1.202 3.211 1.345) 3.683 43.008 ( 2.668 -3.056 -2.712) 4.880 43.352 ( -3.679 3.377 -0.222) 4.999 43.778 ( 1.702 -13.397 -0.223) 13.506 84.999 ( -1.527 3.261 -4.816) 6.014 85.224 ( -2.414 -3.565 -1.160) 4.459 85.625 ( 9.386 1.096 -0.255) 9.453 86.358 ( 18.600 -24.057 -1.575) 30.450 ======================= Grid point 82 (40/116) ======================= q-point: ( 0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 2.921 5.697 2.191) 6.767 1.137 ( 1.712 5.331 -4.763) 7.351 1.204 ( 2.681 1.094 -0.970) 3.054 1.278 ( 0.388 -4.182 -0.880) 4.291 1.403 ( 0.803 -3.190 2.682) 4.244 1.463 ( 2.761 21.535 3.652) 22.016 1.483 ( -1.187 -5.598 -0.505) 5.744 1.587 ( -1.631 18.019 -2.599) 18.279 1.797 ( 5.648 1.214 -0.941) 5.853 1.989 ( 4.594 -2.166 0.496) 5.103 2.078 ( -2.834 4.370 -0.779) 5.266 2.212 ( -0.847 0.884 1.771) 2.153 2.409 ( -1.250 9.713 1.612) 9.925 2.602 ( 0.162 8.581 -0.856) 8.625 2.852 ( -1.585 -2.542 -0.509) 3.039 3.021 ( -1.244 -18.659 -0.448) 18.706 3.077 ( 0.621 -12.801 1.037) 12.858 3.200 ( 2.746 -7.611 0.249) 8.095 3.352 ( -0.205 -3.197 -1.160) 3.407 3.392 ( -3.252 -3.667 -1.754) 5.206 3.453 ( -0.278 -5.233 0.736) 5.292 3.682 ( 0.938 -1.216 1.310) 2.019 3.771 ( 0.382 -2.294 1.521) 2.779 3.852 ( 0.196 -5.986 -3.673) 7.026 4.068 ( -0.026 8.644 -0.759) 8.677 4.145 ( -2.006 1.970 -3.313) 4.346 4.236 ( -0.256 5.766 1.535) 5.972 4.363 ( 1.434 -5.237 -0.141) 5.432 4.410 ( -1.555 -0.459 0.757) 1.790 4.535 ( -2.526 0.743 0.568) 2.694 4.571 ( -3.104 -3.485 0.976) 4.768 4.781 ( -3.332 -5.323 -0.928) 6.348 5.377 ( 4.946 3.029 -0.115) 5.801 5.515 ( 1.940 -0.866 -0.693) 2.235 5.736 ( 2.860 3.826 0.166) 4.780 5.897 ( 2.132 -1.128 1.245) 2.715 6.627 ( -2.496 9.764 -2.736) 10.443 6.933 ( 4.748 6.422 4.571) 9.202 7.325 ( -7.018 -8.935 -1.490) 11.459 7.630 ( -2.251 -11.494 -1.128) 11.766 11.768 ( 0.453 11.873 0.182) 11.883 11.848 ( -0.141 16.600 -0.085) 16.601 12.833 ( -1.874 -19.985 0.214) 20.074 13.072 ( -0.095 -19.490 0.477) 19.496 15.271 ( 0.093 25.232 0.905) 25.248 15.418 ( 0.436 24.452 -1.225) 24.487 16.638 ( -0.164 -15.337 0.262) 15.340 16.689 ( -0.492 -13.281 -0.660) 13.307 20.700 ( 0.309 -0.465 -0.249) 0.612 20.710 ( -0.223 -0.554 -0.065) 0.601 20.749 ( 0.672 0.560 0.256) 0.912 20.756 ( 0.133 0.479 0.094) 0.506 21.535 ( 0.379 -0.168 -0.038) 0.416 21.573 ( 0.444 -1.063 -0.079) 1.155 21.630 ( -0.459 0.999 -0.064) 1.101 21.684 ( 0.059 -0.023 0.082) 0.104 23.267 ( -0.186 0.804 0.188) 0.847 23.294 ( -0.140 0.218 -0.105) 0.280 23.514 ( -0.013 -0.136 0.150) 0.203 23.546 ( 0.139 -0.941 -0.192) 0.971 28.193 ( -0.565 0.349 -1.109) 1.292 28.221 ( 0.288 -1.498 2.118) 2.610 28.308 ( -1.550 0.346 0.233) 1.605 28.462 ( -0.408 -2.480 0.227) 2.524 31.778 ( 0.256 -0.154 0.493) 0.576 31.792 ( -0.486 -0.214 -0.197) 0.567 31.826 ( -0.562 0.213 -0.450) 0.750 31.843 ( -0.095 0.168 0.057) 0.202 35.852 ( 2.426 6.346 -0.271) 6.799 36.158 ( 5.138 -2.438 1.328) 5.840 36.306 ( -0.642 0.864 -1.544) 1.882 36.480 ( 2.181 -3.617 0.183) 4.228 39.243 ( 2.552 6.445 1.944) 7.199 39.409 ( -3.044 5.030 -1.430) 6.051 39.748 ( 4.811 -3.408 0.046) 5.896 40.021 ( 1.740 -6.646 0.648) 6.900 42.757 ( 0.534 3.313 0.826) 3.456 43.021 ( 1.693 -2.547 -2.796) 4.144 43.292 ( -1.687 4.040 -1.150) 4.526 43.777 ( 0.010 -12.908 -2.891) 13.228 84.973 ( 1.632 3.206 -0.463) 3.627 85.183 ( -0.724 -2.823 -0.177) 2.920 85.774 ( 6.269 2.133 -2.056) 6.934 86.565 ( 7.645 -21.286 -4.981) 23.159 ======================= Grid point 83 (41/116) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -4.776 5.211 -4.262) 8.254 1.127 ( 1.908 1.644 -5.611) 6.151 1.219 ( 0.133 -1.132 -1.899) 2.214 1.322 ( 2.291 -0.852 4.658) 5.260 1.413 ( -1.573 4.007 0.442) 4.327 1.470 ( -2.720 20.160 0.697) 20.355 1.507 ( 1.520 -1.488 3.048) 3.717 1.569 ( 1.770 14.707 -1.553) 14.894 1.838 ( -0.348 2.545 -2.305) 3.451 2.008 ( -1.890 -3.377 -2.756) 4.751 2.053 ( 0.580 3.314 0.066) 3.365 2.224 ( -0.719 -0.665 2.976) 3.133 2.358 ( -2.616 10.526 -2.811) 11.204 2.607 ( 1.078 8.042 0.173) 8.116 2.803 ( -1.342 -3.598 -2.349) 4.502 3.023 ( 1.025 -18.713 0.872) 18.761 3.103 ( 0.462 -12.290 2.024) 12.464 3.198 ( -2.063 -6.166 -3.442) 7.357 3.358 ( 1.388 -4.405 0.188) 4.622 3.374 ( 1.456 -6.197 0.447) 6.381 3.446 ( 0.576 -1.398 0.603) 1.628 3.679 ( -1.881 -1.194 -0.246) 2.242 3.777 ( -1.769 -3.248 0.570) 3.742 3.878 ( 4.188 -5.324 0.136) 6.775 4.051 ( 0.331 7.066 -1.438) 7.218 4.123 ( 1.263 4.453 -0.712) 4.683 4.278 ( 2.702 1.621 3.172) 4.471 4.374 ( -1.569 -1.913 1.231) 2.763 4.402 ( 1.043 -0.040 0.109) 1.049 4.512 ( -1.994 -3.213 0.574) 3.824 4.548 ( 0.324 -1.913 0.383) 1.978 4.741 ( 0.489 -5.719 -0.771) 5.792 5.433 ( 0.401 4.389 0.253) 4.415 5.524 ( 0.031 1.131 -0.950) 1.477 5.777 ( 0.755 2.097 1.082) 2.478 5.901 ( -1.937 -1.413 -0.706) 2.500 6.613 ( 2.741 9.472 -0.351) 9.867 6.892 ( -7.740 5.865 -5.653) 11.237 7.316 ( 3.875 -7.898 4.633) 9.943 7.608 ( 0.798 -11.240 -0.583) 11.284 11.778 ( 0.178 11.540 0.488) 11.551 11.843 ( -0.136 16.315 -0.360) 16.320 12.823 ( 0.258 -19.760 0.959) 19.785 13.057 ( -1.085 -19.445 -1.125) 19.508 15.276 ( -0.445 25.189 0.884) 25.209 15.422 ( 0.900 24.397 -0.680) 24.423 16.639 ( -0.063 -15.314 0.363) 15.318 16.688 ( 0.733 -13.200 0.066) 13.221 20.702 ( 0.139 -0.468 -0.497) 0.697 20.704 ( -0.231 -0.299 -0.210) 0.432 20.754 ( -0.318 0.663 0.085) 0.741 20.763 ( 0.261 0.278 0.355) 0.521 21.544 ( 0.315 0.086 0.439) 0.547 21.582 ( 0.258 -0.761 0.365) 0.883 21.629 ( 0.313 0.779 0.464) 0.959 21.687 ( 0.099 -0.357 0.329) 0.495 23.266 ( -0.080 0.782 0.193) 0.809 23.292 ( 0.059 0.209 -0.086) 0.234 23.514 ( -0.088 -0.120 0.123) 0.193 23.546 ( 0.083 -0.930 -0.209) 0.957 28.187 ( 0.162 0.116 -0.215) 0.293 28.233 ( -0.434 -0.281 1.313) 1.411 28.295 ( -0.064 -0.526 0.590) 0.793 28.458 ( -0.122 -2.580 0.070) 2.583 31.769 ( -1.085 -0.311 -0.865) 1.422 31.779 ( -0.100 -0.381 -0.807) 0.898 31.824 ( 0.489 0.460 0.107) 0.679 31.840 ( -0.148 0.230 -0.105) 0.293 35.895 ( 1.152 6.006 1.737) 6.357 36.178 ( -2.626 -1.851 -2.261) 3.928 36.336 ( 3.233 -0.302 2.562) 4.136 36.496 ( -0.472 -3.619 -0.366) 3.668 39.272 ( -2.426 7.598 1.036) 8.042 39.381 ( 2.393 3.400 -0.207) 4.163 39.829 ( 1.414 -2.475 3.192) 4.280 40.054 ( 0.885 -7.587 2.114) 7.925 42.764 ( -0.499 3.151 0.644) 3.255 43.032 ( 2.049 -2.689 -2.143) 4.002 43.270 ( 0.319 4.083 -1.096) 4.239 43.730 ( -0.654 -12.248 -5.982) 13.646 85.048 ( 3.249 1.920 5.527) 6.692 85.199 ( 1.370 -2.310 2.282) 3.524 85.799 ( -0.490 2.248 -4.600) 5.144 86.586 ( 1.021 -21.117 -7.864) 22.557 ======================= Grid point 84 (42/116) ======================= q-point: (-0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -7.844 4.855 -5.409) 10.694 1.061 ( -1.501 -1.981 -7.605) 8.001 1.222 ( -0.293 -3.587 1.682) 3.972 1.307 ( -7.586 17.692 -2.426) 19.402 1.396 ( -1.766 -2.003 2.398) 3.589 1.458 ( 2.003 8.306 1.856) 8.743 1.566 ( 1.510 2.759 2.118) 3.791 1.624 ( 3.858 7.479 1.523) 8.553 1.743 ( -6.214 1.076 -2.964) 6.968 1.855 ( -9.157 3.934 -6.022) 11.645 2.087 ( 2.404 2.778 1.199) 3.864 2.227 ( -0.351 0.579 1.345) 1.505 2.316 ( 1.016 10.827 -2.665) 11.197 2.647 ( 1.859 5.771 2.289) 6.480 2.790 ( 2.273 -1.620 -2.118) 3.504 3.044 ( -1.778 -12.054 -3.690) 12.731 3.096 ( -1.094 -5.841 -0.145) 5.945 3.135 ( -0.343 -12.845 2.229) 13.042 3.347 ( -0.964 -7.816 -1.218) 7.969 3.446 ( 4.013 -5.952 0.709) 7.213 3.509 ( 2.255 -1.034 3.627) 4.394 3.630 ( -1.800 -2.791 -1.008) 3.470 3.730 ( -2.614 -3.434 -0.846) 4.398 3.954 ( 3.185 -1.054 -0.489) 3.390 4.059 ( 0.728 2.245 -0.532) 2.420 4.172 ( 4.472 5.559 -0.706) 7.169 4.348 ( -1.332 -1.587 0.984) 2.294 4.387 ( 2.377 -3.635 2.744) 5.137 4.415 ( -0.371 1.240 3.320) 3.564 4.500 ( 1.910 -3.444 -1.093) 4.087 4.563 ( 1.720 -2.262 -0.320) 2.859 4.784 ( 4.103 -5.046 -0.832) 6.557 5.397 ( -4.280 3.095 1.015) 5.378 5.484 ( -3.556 1.496 -1.972) 4.333 5.772 ( -3.205 -0.461 1.286) 3.485 5.829 ( -3.675 -0.487 -1.292) 3.926 6.633 ( -6.905 8.601 -5.209) 12.198 6.750 ( 5.820 10.118 0.607) 11.689 7.443 ( 4.411 -10.261 2.793) 11.513 7.646 ( 3.663 -11.182 -0.656) 11.784 11.776 ( -0.878 12.358 0.403) 12.395 11.843 ( 0.573 15.489 -0.296) 15.502 12.857 ( 1.698 -19.338 1.793) 19.495 13.017 ( -1.182 -19.614 -2.103) 19.762 15.271 ( -0.877 25.274 0.808) 25.302 15.439 ( 1.290 24.961 -0.378) 24.997 16.640 ( -0.151 -15.651 0.307) 15.655 16.724 ( 2.948 -12.213 0.682) 12.582 20.696 ( -0.076 -0.184 -0.331) 0.386 20.703 ( 0.298 -0.320 -0.386) 0.583 20.745 ( -0.646 0.688 0.252) 0.977 20.767 ( -0.155 -0.055 0.281) 0.325 21.551 ( -0.160 0.185 0.624) 0.670 21.587 ( 0.067 -0.328 0.231) 0.406 21.647 ( 0.673 0.343 0.954) 1.217 21.691 ( -0.068 -0.551 0.140) 0.573 23.268 ( 0.019 0.788 0.212) 0.816 23.294 ( 0.287 0.226 -0.078) 0.374 23.513 ( -0.147 -0.134 0.119) 0.231 23.545 ( 0.040 -0.943 -0.214) 0.968 28.170 ( -1.601 0.291 -0.400) 1.675 28.260 ( 1.913 0.277 1.714) 2.583 28.312 ( 0.837 -1.412 1.013) 1.929 28.460 ( 0.335 -2.655 -0.197) 2.683 31.742 ( -0.598 -0.103 -0.872) 1.062 31.772 ( 0.233 -0.622 -0.794) 1.035 31.832 ( 0.039 0.253 -0.186) 0.317 31.837 ( 0.097 0.336 -0.257) 0.434 35.914 ( -1.834 5.326 2.284) 6.079 36.099 ( -2.549 -1.156 -1.151) 3.026 36.390 ( -1.064 -1.950 1.453) 2.654 36.471 ( -0.869 -2.797 0.016) 2.929 39.201 ( -4.613 6.733 0.131) 8.163 39.462 ( 4.774 3.469 0.654) 5.937 39.833 ( -4.537 -3.835 3.742) 7.021 40.109 ( 1.772 -8.168 4.035) 9.281 42.748 ( -1.842 2.812 0.487) 3.397 43.056 ( 1.665 -4.178 -1.389) 4.707 43.276 ( 1.154 3.965 -1.144) 4.285 43.641 ( -1.150 -10.669 -9.598) 14.397 85.161 ( 1.626 0.799 6.973) 7.205 85.269 ( 1.803 -2.966 5.185) 6.240 85.689 ( -5.383 1.707 -4.969) 7.522 86.439 ( -7.456 -24.498 -13.318) 28.864 ======================= Grid point 85 (43/116) ======================= q-point: (-0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -6.420 6.826 -2.633) 9.734 0.972 ( -1.426 -1.838 -5.314) 5.801 1.056 ( -14.538 12.712 -5.739) 20.146 1.210 ( -3.537 -5.554 1.907) 6.856 1.347 ( -2.567 -5.817 -1.022) 6.440 1.507 ( -6.719 0.935 -4.459) 8.118 1.535 ( 1.988 7.126 2.012) 7.667 1.611 ( -4.434 15.162 -2.446) 15.985 1.681 ( -1.121 6.496 2.125) 6.926 1.719 ( 1.362 1.364 1.995) 2.774 2.181 ( 5.757 3.675 2.501) 7.273 2.257 ( 1.536 2.503 1.124) 3.144 2.324 ( 1.729 9.247 -0.530) 9.422 2.711 ( 2.102 1.247 1.964) 3.136 2.831 ( 2.817 2.102 -0.468) 3.546 2.918 ( -2.606 -1.105 -4.951) 5.703 3.137 ( 1.534 -11.568 1.508) 11.766 3.150 ( -0.516 -11.373 2.852) 11.737 3.324 ( -0.393 -8.511 -0.910) 8.569 3.442 ( -3.382 -4.733 -0.646) 5.854 3.587 ( -3.773 -5.299 -0.472) 6.522 3.600 ( 2.915 -4.194 2.069) 5.510 3.693 ( 1.651 -3.153 -1.940) 4.053 3.992 ( 1.711 1.073 -1.355) 2.432 4.037 ( -2.313 -1.919 -3.106) 4.322 4.224 ( -0.227 4.361 -0.269) 4.375 4.336 ( -3.365 -1.544 0.428) 3.727 4.382 ( 2.322 -0.813 1.614) 2.942 4.459 ( 0.642 -4.538 0.443) 4.605 4.591 ( 6.531 -1.971 0.136) 6.823 4.617 ( 3.773 -0.434 -0.327) 3.812 4.851 ( 3.440 -4.481 -1.631) 5.880 5.302 ( -7.252 1.492 0.734) 7.440 5.362 ( -5.021 -1.055 -2.003) 5.508 5.692 ( -4.598 0.950 -0.486) 4.720 5.736 ( -6.460 -0.924 0.971) 6.598 6.472 ( -3.770 13.542 -3.198) 14.416 6.930 ( 8.921 9.025 3.104) 13.064 7.510 ( 1.152 -13.517 -0.185) 13.568 7.720 ( 4.647 -10.267 -1.299) 11.344 11.761 ( -0.685 14.312 0.179) 14.329 11.857 ( 0.932 14.615 0.041) 14.644 12.898 ( 0.497 -19.375 1.119) 19.414 12.994 ( 0.677 -19.684 -0.569) 19.704 15.259 ( -1.034 25.376 0.740) 25.408 15.459 ( 1.168 25.912 -0.597) 25.945 16.639 ( -0.247 -16.058 0.186) 16.061 16.822 ( 6.723 -11.764 0.753) 13.571 20.696 ( 0.298 -0.056 -0.092) 0.317 20.708 ( 0.535 -0.326 -0.132) 0.640 20.736 ( -0.531 0.717 0.321) 0.949 20.764 ( -0.316 -0.151 0.241) 0.426 21.550 ( -0.321 0.093 0.280) 0.436 21.587 ( -0.373 -0.554 0.117) 0.678 21.665 ( 0.255 0.181 0.747) 0.810 21.682 ( -0.732 -0.463 -0.524) 1.013 23.271 ( 0.050 0.813 0.239) 0.849 23.301 ( 0.506 0.223 -0.083) 0.559 23.511 ( -0.154 -0.167 0.146) 0.270 23.544 ( 0.022 -0.976 -0.200) 0.996 28.134 ( -1.540 1.591 -0.370) 2.245 28.314 ( 0.753 -3.328 2.894) 4.474 28.348 ( 2.467 0.102 0.523) 2.524 28.465 ( 0.432 -2.591 -0.388) 2.655 31.736 ( 0.533 0.000 -0.283) 0.604 31.775 ( 0.629 -0.743 -0.191) 0.992 31.826 ( -0.219 0.408 -0.390) 0.606 31.833 ( -0.357 0.132 -0.269) 0.466 35.840 ( -6.485 3.196 -0.302) 7.236 36.097 ( 1.422 -1.180 1.978) 2.707 36.335 ( -3.443 -1.413 -0.620) 3.773 36.458 ( -1.930 -2.279 0.790) 3.089 39.119 ( -3.852 5.957 0.119) 7.095 39.553 ( 3.892 1.359 0.001) 4.122 39.735 ( -8.369 -4.496 2.219) 9.756 40.169 ( -0.360 -8.852 4.120) 9.771 42.707 ( -2.655 1.971 0.432) 3.335 43.026 ( -4.165 -8.158 -3.338) 9.749 43.290 ( 2.495 5.044 -2.641) 6.216 43.537 ( 0.546 -4.780 -9.007) 10.211 85.222 ( -0.615 0.755 3.505) 3.638 85.300 ( -3.737 -4.157 2.135) 5.984 85.562 ( -4.940 -1.174 -0.163) 5.080 86.025 ( -19.745 -23.616 -18.967) 36.157 ======================= Grid point 86 (44/116) ======================= q-point: (-0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -1.552 10.562 3.285) 11.169 0.720 ( -12.276 12.144 -3.772) 17.675 0.906 ( -1.500 -0.120 -2.393) 2.827 1.134 ( -4.995 -3.303 1.321) 6.132 1.301 ( -1.879 -9.738 -0.349) 9.924 1.382 ( -1.777 2.034 -0.977) 2.872 1.485 ( -3.618 12.689 -0.015) 13.195 1.651 ( 3.866 11.664 1.782) 12.416 1.682 ( -0.324 9.015 -1.553) 9.154 1.746 ( -0.838 -2.131 2.210) 3.182 2.262 ( 1.418 10.851 -1.671) 11.070 2.291 ( -1.192 -1.615 5.092) 5.474 2.425 ( 8.525 3.757 -0.212) 9.318 2.712 ( -1.094 -0.465 -3.227) 3.439 2.883 ( 2.322 -1.162 0.124) 2.600 2.939 ( 4.359 1.546 3.332) 5.701 3.131 ( -3.000 -9.403 1.376) 9.965 3.203 ( 2.852 -12.824 2.324) 13.342 3.327 ( 2.116 -5.691 0.263) 6.078 3.372 ( -1.544 -4.631 -2.012) 5.280 3.480 ( -5.287 -4.716 -0.216) 7.088 3.636 ( -0.590 0.168 0.424) 0.746 3.686 ( -3.666 -6.242 -5.229) 8.930 3.869 ( -6.431 -8.089 -3.785) 11.005 4.017 ( 0.789 6.867 -0.381) 6.923 4.178 ( -2.781 2.494 -0.538) 3.774 4.284 ( -1.946 -1.967 0.248) 2.778 4.384 ( -1.345 -2.678 -0.611) 3.058 4.545 ( 6.039 0.518 0.045) 6.062 4.667 ( 0.931 -2.310 1.242) 2.783 4.697 ( 4.686 2.590 -0.458) 5.374 4.882 ( 1.539 -2.512 -0.984) 3.105 5.172 ( -4.743 0.425 0.247) 4.768 5.306 ( -1.320 -2.444 0.381) 2.804 5.597 ( -4.141 1.400 -0.257) 4.379 5.642 ( -4.752 -0.127 2.772) 5.503 6.430 ( 0.025 15.262 0.400) 15.267 7.097 ( 5.374 8.549 1.222) 10.171 7.492 ( -1.511 -14.268 -0.773) 14.368 7.786 ( 3.496 -9.515 -1.513) 10.249 11.759 ( 0.115 14.969 0.298) 14.973 11.877 ( 1.050 14.930 0.007) 14.967 12.899 ( -0.214 -20.026 0.262) 20.029 13.024 ( 0.929 -19.616 1.738) 19.714 15.247 ( -0.911 25.459 0.666) 25.484 15.467 ( 0.561 26.982 -1.299) 27.019 16.636 ( -0.223 -16.346 0.132) 16.348 16.967 ( 7.814 -15.010 -2.908) 17.170 20.701 ( 0.319 -0.006 -0.212) 0.383 20.715 ( -0.064 -0.368 0.065) 0.379 20.737 ( 0.313 0.610 0.331) 0.761 20.761 ( -0.157 -0.086 0.092) 0.201 21.548 ( 0.016 -0.264 -0.028) 0.266 21.573 ( -0.904 -0.920 -0.345) 1.335 21.654 ( -1.182 0.367 -0.710) 1.426 21.670 ( -0.193 0.167 0.304) 0.397 23.273 ( -0.021 0.851 0.254) 0.888 23.311 ( 0.527 0.069 -0.200) 0.567 23.510 ( -0.122 -0.203 0.165) 0.289 23.542 ( 0.033 -1.008 -0.182) 1.025 28.112 ( -0.650 2.230 0.265) 2.338 28.332 ( -1.403 -4.701 2.531) 5.520 28.403 ( 2.450 -0.439 0.224) 2.499 28.466 ( -0.107 -2.274 -0.355) 2.304 31.757 ( 1.485 0.016 0.519) 1.573 31.791 ( 0.646 -0.669 0.473) 1.044 31.814 ( -0.679 0.394 -0.319) 0.847 31.822 ( -0.532 0.104 -0.092) 0.550 35.702 ( -6.179 4.740 -0.887) 7.838 36.140 ( 0.805 -5.011 0.065) 5.075 36.288 ( -0.678 0.807 -0.291) 1.093 36.403 ( -3.635 -1.904 -1.102) 4.249 39.067 ( -1.901 5.235 0.885) 5.640 39.521 ( -8.735 -9.984 -0.636) 13.281 39.644 ( 0.662 7.615 -0.246) 7.648 40.140 ( -4.280 -7.275 -1.221) 8.528 42.669 ( -1.738 1.126 1.056) 2.324 42.865 ( -5.453 -5.742 -3.567) 8.685 43.338 ( 4.523 5.306 -1.364) 7.105 43.517 ( 2.814 -0.005 -3.290) 4.329 85.088 ( -14.131 -1.527 -7.463) 16.053 85.256 ( -1.702 -0.250 2.202) 2.795 85.328 ( -10.597 -2.480 -6.521) 12.687 85.664 ( -4.824 -8.165 0.390) 9.491 ======================= Grid point 87 (45/116) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 0.173 12.151 2.721) 12.453 0.876 ( 0.354 3.912 -0.084) 3.929 0.944 ( 4.903 -3.989 1.684) 6.541 0.981 ( 2.026 2.426 3.130) 4.449 1.060 ( -0.087 -7.018 2.786) 7.552 1.208 ( 3.355 -10.911 4.314) 12.203 1.636 ( -2.428 -0.618 -2.147) 3.299 1.641 ( -2.055 -0.949 -2.941) 3.711 1.998 ( 1.291 21.831 0.569) 21.876 2.159 ( 0.278 19.249 -1.459) 19.307 2.272 ( -1.129 2.360 2.907) 3.910 2.467 ( 0.112 5.532 -0.541) 5.559 2.495 ( -0.927 -0.089 -0.155) 0.944 2.664 ( 0.547 -4.546 -1.162) 4.723 2.770 ( 1.216 -13.730 -1.682) 13.886 2.790 ( -1.169 -16.105 -1.026) 16.180 2.962 ( -0.737 0.410 1.866) 2.048 3.013 ( -0.172 -3.334 2.927) 4.440 3.303 ( -0.128 2.234 -2.408) 3.287 3.353 ( 1.698 -2.458 -0.473) 3.024 3.421 ( -2.792 4.715 -0.415) 5.495 3.564 ( -2.644 -6.858 -1.666) 7.537 3.678 ( 4.403 -1.186 4.199) 6.199 3.682 ( 3.466 -2.830 2.562) 5.156 4.140 ( 0.956 4.285 -0.954) 4.493 4.198 ( -0.639 2.181 -1.232) 2.585 4.215 ( -0.348 -0.522 -0.121) 0.639 4.300 ( -0.020 -4.177 -1.514) 4.443 4.641 ( 1.240 0.515 1.454) 1.979 4.657 ( -0.342 -1.083 2.180) 2.459 4.819 ( 0.656 2.776 0.123) 2.855 4.863 ( 0.527 -1.617 -0.192) 1.712 5.146 ( -0.271 1.799 0.071) 1.821 5.208 ( -0.639 -4.054 -0.537) 4.139 5.596 ( 0.434 0.986 2.028) 2.297 5.607 ( -0.615 -0.107 2.093) 2.184 6.802 ( 1.073 18.438 2.373) 18.621 7.168 ( 0.291 -17.476 1.878) 17.579 7.332 ( -0.757 11.791 -2.618) 12.101 7.584 ( -0.314 -12.703 -2.041) 12.870 12.106 ( 0.340 18.901 0.711) 18.918 12.228 ( -0.667 19.118 -0.488) 19.136 12.504 ( 0.685 -20.358 1.209) 20.406 12.630 ( -0.812 -20.568 0.240) 20.585 15.759 ( -0.276 25.797 0.602) 25.805 16.022 ( -0.034 28.421 -2.803) 28.559 16.244 ( -0.156 -22.357 0.458) 22.362 16.562 ( -0.599 -24.887 -4.660) 25.327 20.704 ( -0.056 0.076 -0.277) 0.293 20.706 ( -0.186 -0.118 -0.264) 0.344 20.745 ( -0.297 0.358 -0.104) 0.477 20.752 ( -0.247 -0.317 -0.190) 0.445 21.538 ( -0.211 0.038 -0.555) 0.595 21.545 ( 0.020 -0.622 -0.506) 0.802 21.661 ( 0.388 0.585 0.215) 0.734 21.669 ( -0.002 -0.136 0.117) 0.179 23.293 ( -0.077 0.939 0.116) 0.949 23.308 ( -0.018 -0.536 -0.087) 0.543 23.510 ( -0.009 0.313 0.024) 0.314 23.522 ( 0.055 -0.870 -0.097) 0.877 28.166 ( -0.235 3.021 0.826) 3.141 28.234 ( -1.031 -3.719 0.597) 3.905 28.416 ( -0.098 0.120 -0.330) 0.365 28.430 ( 0.278 -1.217 -0.275) 1.278 31.784 ( -0.615 0.030 0.657) 0.901 31.787 ( -0.151 -0.262 0.731) 0.791 31.816 ( 0.570 0.219 0.196) 0.642 31.819 ( 0.619 -0.081 0.282) 0.685 35.811 ( 0.839 8.572 1.072) 8.680 35.981 ( -0.310 -7.942 -0.277) 7.953 36.295 ( -1.243 0.941 -1.811) 2.389 36.315 ( 0.128 -1.037 -1.932) 2.196 39.184 ( 0.602 6.400 2.220) 6.801 39.313 ( 0.960 -6.338 1.970) 6.707 39.773 ( -1.532 7.204 -3.041) 7.969 39.915 ( -2.179 -6.678 -4.298) 8.235 42.700 ( 0.762 2.469 2.066) 3.308 42.764 ( 2.248 -3.976 2.279) 5.104 43.474 ( 1.464 2.876 0.034) 3.227 43.527 ( 1.887 -2.506 -0.742) 3.224 85.082 ( 5.412 5.154 1.770) 7.680 85.184 ( 2.668 -4.564 1.029) 5.386 85.309 ( 0.287 4.958 0.643) 5.007 85.448 ( -1.990 -8.154 0.050) 8.393 ======================= Grid point 88 (46/116) ======================= q-point: ( 0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 2.340 9.463 4.958) 10.937 0.916 ( 3.269 -3.829 2.212) 5.499 1.042 ( 5.657 -1.762 0.738) 5.971 1.102 ( 6.074 -8.156 -0.548) 10.183 1.235 ( 10.913 6.845 7.952) 15.139 1.375 ( 8.174 -7.019 5.251) 11.985 1.525 ( -4.345 0.939 -5.209) 6.848 1.555 ( -3.494 -2.343 -4.669) 6.285 2.034 ( 1.113 18.747 1.841) 18.870 2.140 ( -0.742 18.428 -1.714) 18.522 2.263 ( -3.131 4.954 3.105) 6.632 2.431 ( -4.691 3.055 -0.026) 5.598 2.473 ( 1.533 2.216 -0.887) 2.836 2.672 ( 0.116 -7.389 1.073) 7.468 2.726 ( -1.189 -13.655 -4.226) 14.343 2.789 ( 1.134 -12.033 -1.228) 12.148 2.988 ( 0.287 0.213 2.983) 3.004 3.006 ( -2.939 0.376 1.221) 3.205 3.273 ( -0.115 2.460 0.105) 2.465 3.364 ( 0.052 -3.053 -0.167) 3.058 3.440 ( 2.735 -0.455 -0.289) 2.787 3.508 ( -0.165 -5.562 -0.142) 5.567 3.745 ( 0.666 0.152 1.709) 1.840 3.799 ( 2.709 -5.346 0.151) 5.995 4.165 ( 2.368 3.685 -0.601) 4.421 4.193 ( 1.482 3.779 -1.762) 4.425 4.223 ( 1.398 -1.761 -0.451) 2.293 4.298 ( 1.226 -4.102 -1.347) 4.488 4.608 ( -6.710 1.257 1.953) 7.100 4.639 ( -4.090 -2.001 1.889) 4.929 4.776 ( -4.065 3.508 -0.101) 5.370 4.846 ( -2.470 -3.416 -0.158) 4.218 5.187 ( 4.623 1.491 -0.126) 4.859 5.239 ( 4.810 -3.671 0.071) 6.051 5.653 ( 3.221 1.589 1.898) 4.063 5.674 ( 4.660 -0.489 2.660) 5.388 6.856 ( 1.347 16.958 4.339) 17.556 7.141 ( -4.421 -1.506 -0.535) 4.701 7.295 ( -0.728 -1.815 -1.006) 2.200 7.521 ( -3.486 -14.251 -3.156) 15.007 12.111 ( -1.033 19.402 0.586) 19.439 12.207 ( -0.314 19.046 -0.326) 19.051 12.520 ( -1.182 -20.441 1.109) 20.505 12.615 ( -0.098 -20.794 0.423) 20.799 15.765 ( 0.139 25.820 0.706) 25.830 15.981 ( -1.082 26.696 -3.090) 26.896 16.250 ( 0.143 -22.252 0.600) 22.261 16.478 ( -2.807 -22.179 -4.650) 22.834 20.696 ( -0.229 0.179 -0.317) 0.430 20.702 ( -0.015 -0.322 -0.265) 0.418 20.740 ( -0.006 0.466 -0.052) 0.468 20.748 ( 0.075 -0.265 -0.179) 0.329 21.532 ( 0.133 0.242 -0.678) 0.732 21.544 ( 0.375 -0.916 -0.745) 1.239 21.669 ( -0.076 0.482 0.004) 0.487 21.675 ( 0.493 -0.103 0.184) 0.536 23.291 ( -0.242 0.885 0.108) 0.923 23.305 ( -0.263 -0.421 -0.080) 0.503 23.511 ( 0.078 0.325 0.034) 0.336 23.523 ( 0.139 -0.865 -0.093) 0.881 28.174 ( 0.071 1.844 1.019) 2.108 28.219 ( -0.891 -2.606 0.037) 2.754 28.398 ( -1.279 1.053 -0.327) 1.689 28.428 ( -0.310 -1.883 -0.211) 1.920 31.773 ( -0.791 0.345 0.858) 1.217 31.783 ( -0.506 -0.599 0.756) 1.089 31.835 ( 0.489 0.149 0.293) 0.589 31.837 ( 0.741 0.020 0.407) 0.845 35.869 ( 3.360 6.289 1.316) 7.251 35.981 ( 1.057 -4.134 -0.918) 4.365 36.275 ( 1.625 1.644 -1.798) 2.928 36.325 ( 2.284 -2.714 -1.760) 3.960 39.242 ( 2.465 7.353 3.037) 8.328 39.397 ( 4.448 -7.944 2.517) 9.446 39.706 ( -1.401 7.310 -4.300) 8.596 39.849 ( 0.342 -6.584 -5.320) 8.471 42.756 ( 2.448 4.122 2.196) 5.273 42.853 ( 4.056 -5.446 1.611) 6.979 43.473 ( -1.506 3.135 0.142) 3.481 43.551 ( 0.814 -5.138 0.304) 5.211 85.154 ( -2.684 3.119 -2.849) 5.005 85.198 ( 0.322 -1.063 0.040) 1.111 85.464 ( 9.617 0.841 1.678) 9.798 85.574 ( 17.566 -10.271 4.140) 20.765 ======================= Grid point 89 (47/116) ======================= q-point: ( 0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 5.872 7.671 6.488) 11.637 1.042 ( 6.228 -4.805 4.427) 9.026 1.144 ( 4.334 0.111 -0.006) 4.336 1.207 ( 5.088 -6.502 -1.107) 8.330 1.374 ( -3.610 2.848 -6.374) 7.859 1.438 ( -3.068 -3.823 -4.599) 6.721 1.527 ( 11.594 5.232 5.383) 13.812 1.599 ( 9.357 -2.895 3.382) 10.362 2.057 ( -0.712 12.978 1.064) 13.041 2.108 ( -0.766 17.011 -1.272) 17.076 2.219 ( -3.684 6.666 2.215) 7.931 2.332 ( -5.009 7.215 -0.448) 8.795 2.519 ( 3.096 -0.042 0.000) 3.097 2.628 ( -3.222 -23.036 -1.930) 23.340 2.730 ( 3.177 3.368 -1.187) 4.780 2.790 ( -1.066 -9.730 0.257) 9.791 2.946 ( -2.932 2.593 0.332) 3.928 3.016 ( -0.481 -5.322 2.406) 5.860 3.283 ( -0.333 -1.034 0.905) 1.414 3.343 ( -1.614 -5.355 -1.296) 5.741 3.465 ( 1.378 3.219 -0.970) 3.633 3.564 ( 3.775 -4.743 0.237) 6.067 3.744 ( -1.167 0.378 0.942) 1.547 3.791 ( -1.308 -4.528 -1.711) 5.014 4.202 ( 2.153 1.707 -3.046) 4.102 4.208 ( 1.414 5.461 -1.076) 5.743 4.252 ( 2.218 -1.808 -1.112) 3.070 4.314 ( 0.872 -2.657 0.131) 2.800 4.472 ( -7.695 3.012 1.763) 8.449 4.551 ( -5.981 -4.337 2.127) 7.688 4.679 ( -5.658 3.861 -0.343) 6.858 4.768 ( -4.910 -4.868 -0.760) 6.956 5.306 ( 7.371 2.485 -0.224) 7.782 5.369 ( 7.372 -3.781 0.185) 8.287 5.742 ( 3.901 3.111 1.463) 5.199 5.789 ( 4.483 -1.658 2.125) 5.231 6.912 ( -0.664 12.468 2.767) 12.789 7.042 ( -3.064 9.289 0.402) 9.790 7.255 ( -3.404 -7.901 -1.355) 8.709 7.424 ( -3.140 -15.013 -2.152) 15.488 12.081 ( -1.701 18.333 -0.150) 18.412 12.215 ( 0.606 19.739 0.520) 19.755 12.478 ( -2.853 -19.992 -0.112) 20.195 12.639 ( 0.993 -21.279 1.270) 21.340 15.776 ( 0.225 25.759 0.820) 25.773 15.936 ( -0.843 25.031 -2.307) 25.152 16.258 ( 0.086 -22.073 0.699) 22.084 16.396 ( -1.911 -20.348 -2.809) 20.630 20.693 ( 0.124 0.164 -0.133) 0.245 20.701 ( 0.039 -0.512 -0.060) 0.517 20.746 ( 0.523 0.515 0.150) 0.749 20.753 ( 0.456 -0.138 0.047) 0.479 21.531 ( 0.406 0.377 -0.536) 0.771 21.545 ( 0.493 -0.999 -0.637) 1.283 21.663 ( -0.467 0.963 -0.166) 1.083 21.679 ( -0.113 -0.569 -0.070) 0.584 23.287 ( -0.281 0.796 0.111) 0.851 23.298 ( -0.300 -0.318 -0.032) 0.439 23.513 ( 0.116 0.331 0.035) 0.352 23.525 ( 0.167 -0.847 -0.096) 0.868 28.186 ( 0.082 0.395 1.169) 1.237 28.203 ( -0.694 -1.250 -0.098) 1.433 28.368 ( -1.530 2.016 -0.184) 2.538 28.416 ( -0.658 -2.674 -0.138) 2.757 31.773 ( -0.186 0.462 0.971) 1.091 31.785 ( -0.205 -0.672 0.845) 1.099 31.840 ( -0.067 0.315 -0.128) 0.347 31.845 ( 0.003 -0.146 -0.038) 0.151 35.936 ( 3.020 5.467 -0.426) 6.261 36.018 ( 3.362 -2.487 0.132) 4.184 36.312 ( 2.656 1.170 -0.811) 3.013 36.360 ( 2.570 -3.265 -0.868) 4.245 39.315 ( 2.602 7.855 1.924) 8.496 39.475 ( 1.200 -7.689 0.822) 7.826 39.675 ( 2.365 7.897 -2.761) 8.693 39.838 ( 2.158 -7.888 -2.432) 8.531 42.813 ( 1.882 5.069 0.872) 5.477 42.922 ( 2.582 -5.334 -0.630) 5.960 43.433 ( -2.183 4.856 -0.578) 5.355 43.559 ( -0.144 -8.353 0.056) 8.354 85.074 ( -1.795 4.019 -3.402) 5.563 85.152 ( -2.094 -3.755 -2.031) 4.755 85.704 ( 12.015 7.620 1.204) 14.278 85.945 ( 15.757 -16.658 1.740) 22.996 ======================= Grid point 90 (48/116) ======================= q-point: ( 0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 3.095 7.769 2.092) 8.620 1.182 ( 2.728 -2.921 2.768) 4.862 1.215 ( 3.893 0.629 -0.788) 4.022 1.248 ( -1.266 -0.473 -6.781) 6.914 1.278 ( 1.964 -2.140 1.689) 3.360 1.366 ( -0.330 -5.629 -1.582) 5.856 1.778 ( 7.981 2.651 0.897) 8.457 1.793 ( 9.810 3.831 3.621) 11.137 2.028 ( -2.252 10.994 0.072) 11.223 2.076 ( -2.237 19.714 -2.005) 19.941 2.173 ( -2.956 -3.355 2.121) 4.949 2.250 ( -3.048 14.872 0.020) 15.181 2.562 ( -0.343 -19.458 -2.632) 19.638 2.565 ( 0.692 -10.316 0.023) 10.339 2.713 ( -3.923 3.590 -2.495) 5.874 2.802 ( 1.616 0.351 2.854) 3.299 2.910 ( -1.384 -0.564 -0.210) 1.509 3.020 ( -0.003 -10.520 0.440) 10.530 3.267 ( -1.215 -2.861 -0.218) 3.116 3.294 ( -1.844 -4.327 -1.101) 4.831 3.485 ( 1.622 6.133 -0.543) 6.367 3.622 ( 2.662 -5.911 -0.373) 6.493 3.738 ( -0.394 -0.506 0.667) 0.925 3.758 ( -1.136 -2.525 -0.285) 2.783 4.179 ( -0.563 2.121 -3.023) 3.735 4.217 ( 0.620 2.772 -0.863) 2.969 4.267 ( -1.000 0.252 -0.483) 1.139 4.330 ( 0.909 0.262 0.683) 1.166 4.409 ( -0.072 1.447 1.244) 1.910 4.485 ( -2.673 -4.669 1.756) 5.659 4.575 ( -4.640 3.454 0.103) 5.785 4.668 ( -4.353 -5.549 -0.622) 7.080 5.437 ( 6.001 2.830 -0.116) 6.636 5.486 ( 4.627 -2.020 -0.368) 5.062 5.809 ( 1.902 3.292 0.645) 3.857 5.864 ( 1.673 -2.182 0.890) 2.890 6.858 ( -2.823 12.696 -1.417) 13.083 7.082 ( 1.690 -1.064 4.850) 5.246 7.144 ( -4.596 0.514 -3.567) 5.841 7.373 ( -1.319 -13.534 -0.433) 13.605 12.058 ( -0.662 16.936 0.199) 16.950 12.226 ( 0.115 20.517 0.075) 20.517 12.432 ( -1.659 -19.555 0.152) 19.626 12.657 ( -0.001 -21.609 0.317) 21.611 15.786 ( -0.022 25.620 0.869) 25.635 15.912 ( 0.009 24.222 -1.246) 24.254 16.264 ( -0.128 -21.834 0.696) 21.845 16.356 ( -0.395 -19.870 -1.139) 19.907 20.696 ( 0.172 0.037 -0.122) 0.214 20.701 ( -0.047 -0.411 -0.032) 0.415 20.759 ( 0.521 0.391 0.216) 0.686 20.762 ( 0.326 0.065 0.173) 0.375 21.538 ( 0.551 0.445 -0.040) 0.709 21.552 ( 0.556 -0.942 -0.067) 1.096 21.652 ( -0.401 1.217 -0.049) 1.282 21.674 ( -0.211 -0.871 -0.001) 0.896 23.283 ( -0.198 0.728 0.118) 0.763 23.294 ( -0.187 -0.268 0.003) 0.327 23.515 ( 0.070 0.333 0.015) 0.341 23.527 ( 0.122 -0.824 -0.113) 0.841 28.192 ( -0.369 -0.113 0.230) 0.449 28.198 ( -0.089 -0.777 1.308) 1.524 28.341 ( -1.053 2.696 -0.227) 2.903 28.403 ( -0.522 -3.282 -0.154) 3.326 31.778 ( -0.154 0.177 0.318) 0.396 31.785 ( -0.462 -0.421 0.101) 0.633 31.834 ( -0.167 0.495 -0.297) 0.601 31.842 ( -0.088 -0.244 -0.139) 0.295 35.984 ( 2.483 6.367 -0.387) 6.845 36.092 ( 3.317 -4.345 0.476) 5.487 36.337 ( 0.698 2.334 -0.404) 2.470 36.401 ( 1.730 -3.913 0.069) 4.279 39.376 ( 2.709 6.422 0.648) 7.000 39.466 ( -1.505 -1.192 -0.422) 1.966 39.733 ( 3.979 3.608 0.313) 5.381 39.868 ( 1.238 -8.217 0.790) 8.347 42.842 ( 0.861 5.051 -0.152) 5.127 42.945 ( 1.351 -4.900 -1.629) 5.338 43.392 ( -1.079 6.133 -1.324) 6.366 43.547 ( -0.506 -9.692 -1.503) 9.821 85.044 ( 0.803 3.807 -0.419) 3.913 85.119 ( 0.001 -3.553 -0.286) 3.564 85.886 ( 6.677 9.687 -1.582) 11.871 86.164 ( 7.461 -17.795 -2.305) 19.433 ======================= Grid point 91 (49/116) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -5.136 6.852 -5.405) 10.126 1.131 ( -3.766 -4.239 -7.060) 9.055 1.192 ( -0.011 2.324 -0.740) 2.439 1.280 ( 1.258 -5.159 0.134) 5.312 1.372 ( 4.271 1.444 4.816) 6.597 1.434 ( 4.042 -3.754 4.606) 7.187 1.823 ( -2.575 5.740 -2.927) 6.938 1.889 ( -9.568 3.057 -3.024) 10.490 1.985 ( 4.725 10.418 2.071) 11.625 2.068 ( 2.476 19.389 -0.058) 19.546 2.146 ( -1.540 -1.021 1.576) 2.429 2.222 ( -0.228 11.612 0.863) 11.646 2.555 ( -0.016 -20.307 -0.148) 20.308 2.563 ( 1.312 -14.271 -3.500) 14.752 2.625 ( -0.647 9.936 -3.054) 10.415 2.851 ( -0.215 7.108 3.229) 7.810 2.884 ( 0.261 -10.011 -1.503) 10.127 3.019 ( -0.848 -10.659 0.037) 10.693 3.252 ( 0.191 -2.522 -0.439) 2.567 3.275 ( 0.914 -3.703 -0.298) 3.825 3.524 ( 1.869 6.979 1.478) 7.375 3.652 ( -0.766 -3.160 0.112) 3.253 3.729 ( -1.723 -1.514 -0.315) 2.315 3.748 ( 2.090 -5.082 0.060) 5.495 4.167 ( 1.739 3.922 -1.009) 4.407 4.234 ( 1.287 4.590 -0.457) 4.789 4.244 ( 0.436 -1.415 0.798) 1.682 4.341 ( -0.488 -2.467 -0.438) 2.553 4.442 ( 1.313 -0.021 0.272) 1.341 4.455 ( -2.892 -0.707 1.623) 3.391 4.526 ( -0.390 1.789 0.337) 1.862 4.620 ( 0.485 -6.020 -0.175) 6.042 5.505 ( 0.244 2.572 0.288) 2.599 5.533 ( 0.594 -0.358 0.090) 0.699 5.822 ( -0.721 2.305 -0.170) 2.421 5.866 ( -1.408 -2.070 -0.635) 2.582 6.833 ( 1.269 11.677 -0.362) 11.751 6.999 ( -4.722 -0.010 -4.412) 6.463 7.185 ( 2.961 -0.221 3.800) 4.822 7.361 ( 0.402 -12.662 -0.215) 12.670 12.060 ( 0.278 16.604 0.896) 16.630 12.219 ( -0.510 20.653 -0.824) 20.676 12.425 ( 0.403 -19.599 1.069) 19.633 12.644 ( -0.923 -21.494 -1.115) 21.543 15.789 ( -0.431 25.522 0.823) 25.539 15.914 ( 1.071 24.144 -0.410) 24.171 16.266 ( -0.338 -21.744 0.663) 21.757 16.358 ( 1.133 -19.781 -0.106) 19.814 20.696 ( 0.037 -0.061 -0.224) 0.235 20.698 ( -0.083 -0.219 -0.140) 0.273 20.764 ( -0.178 0.358 0.125) 0.419 20.767 ( -0.001 0.068 0.206) 0.217 21.550 ( 0.408 0.535 0.613) 0.910 21.564 ( 0.423 -0.870 0.622) 1.150 21.650 ( 0.127 1.205 0.163) 1.223 21.673 ( 0.041 -1.019 0.108) 1.026 23.282 ( -0.049 0.704 0.125) 0.716 23.292 ( 0.007 -0.256 0.019) 0.257 23.516 ( -0.021 0.336 -0.010) 0.337 23.528 ( 0.043 -0.817 -0.132) 0.829 28.189 ( -0.343 0.477 0.621) 0.856 28.210 ( -0.080 -1.484 1.629) 2.205 28.327 ( 0.044 3.062 -0.467) 3.098 28.396 ( 0.025 -3.521 -0.338) 3.537 31.766 ( -0.800 0.053 -0.805) 1.136 31.771 ( -0.435 -0.374 -0.780) 0.969 31.834 ( 0.259 0.487 0.004) 0.551 31.841 ( 0.054 -0.166 -0.082) 0.193 36.019 ( 0.824 5.986 0.748) 6.088 36.120 ( -0.809 -4.025 -0.412) 4.126 36.352 ( 1.059 2.102 0.847) 2.501 36.416 ( -0.148 -3.991 -0.012) 3.994 39.413 ( -1.779 5.158 0.195) 5.460 39.442 ( 1.534 1.824 -0.076) 2.384 39.803 ( 1.228 0.952 2.728) 3.139 39.895 ( 0.538 -7.524 2.213) 7.861 42.847 ( -0.055 5.026 -0.393) 5.041 42.953 ( 0.975 -5.082 -1.506) 5.389 43.368 ( 0.146 5.857 -1.966) 6.180 43.513 ( -0.533 -9.053 -3.475) 9.711 85.094 ( 2.413 2.606 3.837) 5.228 85.148 ( 1.707 -2.727 2.727) 4.218 85.913 ( -0.926 9.662 -4.645) 10.760 86.188 ( -0.818 -17.647 -5.994) 18.655 ======================= Grid point 92 (50/116) ======================= q-point: (-0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -6.608 7.462 -5.407) 11.340 0.982 ( -4.545 -6.591 -5.924) 9.960 1.184 ( -0.926 1.969 -0.185) 2.184 1.278 ( -1.206 -6.394 -0.783) 6.554 1.490 ( 1.547 2.909 4.602) 5.660 1.543 ( 1.672 -2.293 4.793) 5.570 1.602 ( -12.249 6.033 -4.732) 14.451 1.676 ( -9.713 -2.390 -3.907) 10.739 2.047 ( 0.338 11.907 0.640) 11.929 2.098 ( 1.690 18.557 -0.531) 18.642 2.144 ( 0.222 7.292 0.471) 7.311 2.267 ( 3.215 6.888 1.543) 7.756 2.508 ( -0.958 -2.077 -3.011) 3.782 2.591 ( 2.566 -10.994 -1.790) 11.431 2.662 ( 5.013 -10.015 -1.387) 11.285 2.834 ( -1.392 -5.048 -1.500) 5.446 2.910 ( 1.339 -2.520 1.566) 3.256 2.998 ( -1.563 -5.425 1.940) 5.969 3.263 ( 1.022 -0.301 -0.349) 1.121 3.319 ( 3.219 -5.453 0.200) 6.335 3.545 ( -2.335 3.812 1.345) 4.668 3.595 ( -3.312 -1.109 -1.221) 3.700 3.700 ( -0.094 0.919 -0.815) 1.232 3.806 ( 2.444 -8.853 0.650) 9.207 4.186 ( 0.418 6.876 -2.047) 7.187 4.278 ( 4.800 4.176 -0.004) 6.363 4.300 ( 1.352 -3.608 -0.496) 3.885 4.335 ( 1.428 -1.954 2.674) 3.606 4.392 ( -4.115 -0.421 1.803) 4.513 4.449 ( 0.043 -3.915 -0.387) 3.934 4.573 ( 4.591 3.978 -0.146) 6.077 4.674 ( 4.490 -5.615 -0.410) 7.201 5.451 ( -5.690 2.363 0.586) 6.189 5.487 ( -5.689 -1.098 -0.448) 5.812 5.784 ( -2.968 1.373 -0.217) 3.278 5.812 ( -3.201 -1.236 -1.103) 3.605 6.840 ( -2.022 10.990 -2.525) 11.456 6.945 ( 4.322 5.478 -0.887) 7.034 7.260 ( 1.881 -4.230 1.912) 5.009 7.397 ( 3.568 -12.846 0.343) 13.336 12.081 ( 0.675 17.671 1.277) 17.730 12.198 ( -0.389 19.653 -1.219) 19.695 12.461 ( 1.658 -19.887 1.743) 20.032 12.609 ( -1.040 -20.967 -1.941) 21.082 15.785 ( -0.775 25.515 0.711) 25.536 15.944 ( 2.126 24.794 0.033) 24.885 16.263 ( -0.552 -21.815 0.539) 21.829 16.399 ( 3.063 -20.077 0.548) 20.317 20.694 ( 0.021 0.052 -0.137) 0.148 20.697 ( 0.152 -0.238 -0.163) 0.325 20.758 ( -0.545 0.525 0.195) 0.781 20.765 ( -0.362 -0.183 0.219) 0.462 21.560 ( -0.199 0.642 0.834) 1.071 21.575 ( -0.111 -0.794 0.756) 1.102 21.659 ( 0.520 0.792 0.268) 0.985 21.676 ( 0.166 -0.856 -0.050) 0.873 23.284 ( 0.098 0.733 0.134) 0.751 23.294 ( 0.213 -0.284 0.027) 0.356 23.515 ( -0.097 0.339 -0.015) 0.353 23.527 ( -0.024 -0.831 -0.137) 0.843 28.186 ( -0.737 1.396 0.752) 1.748 28.225 ( -0.041 -2.435 1.875) 3.073 28.337 ( 1.440 2.760 -0.453) 3.146 28.399 ( 0.726 -3.270 -0.507) 3.388 31.745 ( -0.360 0.414 -0.849) 1.011 31.758 ( -0.044 -0.741 -0.813) 1.101 31.837 ( 0.047 0.277 -0.177) 0.332 31.841 ( 0.028 0.002 -0.260) 0.262 36.014 ( -2.774 4.235 0.776) 5.122 36.073 ( -2.578 -1.764 -0.223) 3.131 36.371 ( -0.912 0.353 0.730) 1.220 36.408 ( -0.270 -3.047 0.415) 3.087 39.348 ( -4.163 7.575 -0.284) 8.648 39.472 ( 0.431 -3.581 -0.134) 3.609 39.817 ( -2.135 3.383 3.511) 5.322 39.943 ( 1.401 -8.059 3.450) 8.878 42.826 ( -1.800 5.108 -0.666) 5.457 42.945 ( -0.841 -6.367 -1.590) 6.616 43.362 ( 1.464 4.691 -2.379) 5.460 43.470 ( 0.401 -6.549 -4.777) 8.116 85.183 ( 1.729 1.458 5.653) 6.089 85.219 ( 1.507 -2.117 4.743) 5.408 85.777 ( -7.476 7.824 -6.236) 12.490 86.020 ( -9.378 -16.790 -9.520) 21.459 ======================= Grid point 93 (51/116) ======================= q-point: (-0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -3.364 9.708 -2.128) 10.492 0.882 ( -1.388 -7.807 -2.768) 8.399 1.136 ( -4.405 0.153 -0.252) 4.415 1.188 ( -8.487 -1.963 -3.307) 9.317 1.277 ( -11.084 3.532 -3.420) 12.126 1.399 ( -10.430 -6.785 -4.650) 13.284 1.588 ( 1.564 2.539 3.073) 4.282 1.649 ( 1.337 -3.195 4.159) 5.412 2.016 ( -1.886 17.990 -1.185) 18.127 2.130 ( 1.685 24.985 -0.845) 25.056 2.197 ( 3.321 -1.274 3.026) 4.670 2.351 ( 3.861 7.680 1.607) 8.745 2.479 ( 0.043 -0.322 -1.180) 1.224 2.621 ( 2.280 -11.527 -1.393) 11.833 2.731 ( 3.064 -12.100 -1.927) 12.629 2.799 ( 0.631 -8.548 -2.696) 8.985 2.953 ( 0.755 0.147 2.913) 3.013 3.002 ( -0.714 -3.144 2.476) 4.065 3.274 ( 0.522 2.435 -0.283) 2.507 3.355 ( -0.616 -4.360 -0.975) 4.510 3.504 ( 0.119 -2.420 0.324) 2.445 3.517 ( -4.069 -2.408 -0.615) 4.768 3.701 ( -0.041 3.019 -0.889) 3.147 3.820 ( -1.347 -8.861 -1.427) 9.076 4.162 ( -0.312 6.505 -2.380) 6.934 4.265 ( -1.579 -2.847 -1.010) 3.409 4.311 ( -4.280 1.360 1.148) 4.636 4.354 ( -1.518 -2.340 0.999) 2.962 4.439 ( 7.398 2.847 0.893) 7.977 4.519 ( 5.903 -4.308 1.050) 7.383 4.666 ( 5.278 3.877 -0.778) 6.595 4.755 ( 4.463 -4.845 -1.120) 6.682 5.324 ( -7.954 0.896 0.340) 8.012 5.342 ( -7.009 -0.932 -0.597) 7.096 5.712 ( -4.422 0.923 0.058) 4.518 5.726 ( -5.230 -0.475 0.129) 5.253 6.782 ( -0.896 16.623 -1.867) 16.751 7.053 ( 5.457 -4.349 0.268) 6.983 7.302 ( 1.731 0.145 0.776) 1.903 7.488 ( 5.036 -12.389 0.233) 13.375 12.099 ( 0.150 19.013 0.514) 19.021 12.194 ( 0.960 18.792 -0.217) 18.817 12.497 ( 0.326 -20.443 0.590) 20.454 12.590 ( 0.890 -20.417 -0.421) 20.440 15.775 ( -0.898 25.551 0.610) 25.574 15.989 ( 2.574 26.260 -0.245) 26.387 16.256 ( -0.642 -21.858 0.412) 21.872 16.480 ( 4.757 -21.681 0.327) 22.199 20.697 ( 0.306 0.159 0.040) 0.347 20.702 ( 0.378 -0.305 0.013) 0.486 20.750 ( -0.432 0.636 0.283) 0.819 20.760 ( -0.360 -0.326 0.276) 0.559 21.557 ( -0.611 0.605 0.380) 0.940 21.572 ( -0.694 -0.838 0.316) 1.133 21.669 ( 0.192 0.231 0.180) 0.350 21.674 ( -0.236 -0.334 -0.339) 0.531 23.288 ( 0.169 0.812 0.139) 0.841 23.300 ( 0.346 -0.372 0.022) 0.508 23.512 ( -0.115 0.333 0.004) 0.352 23.525 ( -0.048 -0.855 -0.123) 0.865 28.177 ( -0.870 2.687 0.659) 2.900 28.240 ( -0.314 -3.589 1.810) 4.032 28.369 ( 2.073 1.688 -0.218) 2.683 28.412 ( 1.044 -2.552 -0.505) 2.804 31.742 ( 0.577 0.603 -0.222) 0.863 31.758 ( 0.605 -0.922 -0.174) 1.116 31.833 ( -0.272 0.240 -0.331) 0.491 31.835 ( -0.359 0.007 -0.329) 0.487 35.929 ( -5.295 5.357 -0.558) 7.553 36.036 ( -2.116 -4.805 0.616) 5.286 36.343 ( -1.738 2.147 0.309) 2.779 36.401 ( -1.459 -3.215 0.601) 3.581 39.261 ( -4.432 8.139 -0.361) 9.275 39.436 ( -3.806 -9.077 -0.665) 9.865 39.812 ( -1.196 8.221 2.600) 8.705 39.989 ( -0.075 -9.130 3.055) 9.628 42.766 ( -3.449 4.105 -0.885) 5.435 42.874 ( -4.496 -6.653 -2.643) 8.454 43.383 ( 3.070 4.190 -2.476) 5.754 43.458 ( 2.587 -3.579 -3.594) 5.694 85.239 ( -1.187 0.764 2.441) 2.820 85.252 ( -2.342 -0.951 2.510) 3.562 85.561 ( -9.185 2.167 -3.680) 10.129 85.687 ( -14.196 -11.069 -9.094) 20.168 ======================= Grid point 94 (52/116) ======================= q-point: (-0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 1.244 11.769 1.445) 11.922 0.869 ( 1.433 -5.228 -1.175) 5.547 0.950 ( -7.910 9.162 -2.178) 12.299 1.036 ( -6.213 -0.979 0.380) 6.302 1.114 ( -6.405 -6.925 0.454) 9.443 1.212 ( -5.377 -10.432 -1.000) 11.779 1.639 ( 1.518 1.367 0.683) 2.154 1.684 ( -0.450 -2.884 0.862) 3.043 1.984 ( -0.057 21.766 -0.861) 21.783 2.154 ( 1.354 21.746 -0.697) 21.799 2.262 ( 0.094 -0.803 2.518) 2.644 2.432 ( 3.867 3.497 -0.127) 5.215 2.490 ( 0.350 4.474 1.347) 4.686 2.654 ( 1.866 -9.968 -0.764) 10.170 2.751 ( 2.050 -9.338 -2.412) 9.860 2.805 ( 0.674 -14.651 -0.779) 14.687 2.977 ( -1.415 -2.082 2.639) 3.647 2.998 ( -1.078 -2.244 1.343) 2.829 3.304 ( 2.986 0.768 -0.143) 3.087 3.315 ( -0.025 -0.583 -2.046) 2.127 3.456 ( -1.776 1.905 1.086) 2.822 3.556 ( 3.059 -6.639 1.006) 7.379 3.658 ( -3.212 1.733 -1.167) 3.832 3.723 ( -5.936 -5.294 -1.841) 8.165 4.142 ( 0.180 5.284 -1.619) 5.529 4.227 ( -1.414 -2.842 -0.626) 3.235 4.246 ( -3.036 3.303 0.365) 4.501 4.323 ( -1.362 -3.607 -0.512) 3.889 4.572 ( 5.076 2.011 0.587) 5.491 4.619 ( 2.944 -2.477 1.061) 3.991 4.756 ( 4.911 3.335 -0.538) 5.961 4.824 ( 3.674 -3.299 -0.560) 4.970 5.194 ( -4.876 1.928 0.094) 5.244 5.246 ( -3.322 -3.119 0.320) 4.568 5.625 ( -4.295 1.218 0.692) 4.518 5.640 ( -4.281 -0.319 1.611) 4.585 6.773 ( 0.561 18.416 0.218) 18.426 7.130 ( 2.438 -15.304 0.592) 15.508 7.339 ( 1.538 9.062 -0.479) 9.204 7.568 ( 3.261 -11.911 -0.809) 12.375 12.099 ( -0.037 18.780 0.050) 18.780 12.222 ( 1.227 19.137 0.381) 19.180 12.493 ( -0.178 -20.382 -0.061) 20.382 12.621 ( 1.159 -20.477 0.957) 20.532 15.764 ( -0.729 25.669 0.564) 25.685 16.026 ( 1.760 28.080 -1.437) 28.171 16.248 ( -0.562 -22.063 0.362) 22.073 16.562 ( 3.725 -24.532 -1.875) 24.884 20.703 ( 0.267 0.181 -0.068) 0.330 20.708 ( 0.148 -0.319 0.025) 0.352 20.748 ( -0.090 0.524 0.206) 0.570 20.757 ( -0.211 -0.328 0.134) 0.413 21.547 ( -0.424 0.240 -0.155) 0.512 21.557 ( -0.783 -0.684 -0.286) 1.078 21.663 ( -0.455 0.438 -0.258) 0.683 21.670 ( -0.157 -0.212 0.086) 0.278 23.292 ( 0.104 0.905 0.132) 0.921 23.306 ( 0.277 -0.506 -0.024) 0.578 23.511 ( -0.077 0.316 0.021) 0.326 23.523 ( -0.020 -0.869 -0.105) 0.875 28.168 ( -0.643 3.376 0.677) 3.503 28.244 ( -0.818 -4.169 1.323) 4.450 28.403 ( 1.533 0.514 -0.176) 1.627 28.425 ( 0.669 -1.658 -0.403) 1.832 31.762 ( 1.250 0.496 0.554) 1.454 31.775 ( 0.869 -0.777 0.539) 1.285 31.820 ( -0.639 0.233 -0.290) 0.739 31.823 ( -0.590 -0.031 -0.190) 0.621 35.834 ( -3.546 7.983 -0.263) 8.739 36.001 ( -1.722 -8.241 0.138) 8.420 36.319 ( -0.929 2.019 -0.187) 2.231 36.362 ( -2.481 -2.158 -0.730) 3.368 39.190 ( -2.613 7.004 0.534) 7.494 39.342 ( -4.484 -8.227 0.055) 9.370 39.809 ( -0.722 8.744 -0.143) 8.775 39.983 ( -2.091 -8.465 -0.279) 8.724 42.703 ( -2.278 2.403 0.321) 3.326 42.767 ( -3.371 -4.058 -1.054) 5.380 43.429 ( 3.491 3.861 -1.477) 5.411 43.491 ( 3.013 -2.327 -1.783) 4.204 85.116 ( -6.970 3.373 -3.731) 8.595 85.198 ( -3.879 -4.415 -2.251) 6.294 85.365 ( -6.073 5.097 0.048) 7.929 85.499 ( -4.191 -7.939 1.591) 9.117 ======================= Grid point 119 (53/116) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 5.325 0.000 9.793) 11.147 0.507 ( 4.075 0.000 9.487) 10.325 0.805 ( 13.366 0.000 13.776) 19.194 0.948 ( 4.247 0.000 0.140) 4.249 1.120 ( 0.137 0.000 2.276) 2.280 1.386 ( -0.518 0.000 0.385) 0.645 1.512 ( 1.202 0.000 0.073) 1.204 1.718 ( 0.119 0.000 2.210) 2.213 1.723 ( -6.395 0.000 -2.770) 6.969 1.825 ( -1.419 0.000 -0.817) 1.638 1.964 ( 3.829 0.000 -0.402) 3.850 2.108 ( -3.786 0.000 -4.675) 6.016 2.460 ( -6.329 0.000 1.405) 6.483 2.538 ( -12.024 0.000 -1.697) 12.144 2.816 ( 5.970 0.000 0.887) 6.035 2.824 ( 1.201 0.000 -1.008) 1.568 3.256 ( 2.345 0.000 4.430) 5.012 3.409 ( 0.838 0.000 1.452) 1.676 3.506 ( 4.674 0.000 -1.098) 4.801 3.590 ( -3.394 0.000 -0.823) 3.493 3.600 ( -4.885 0.000 -4.369) 6.554 3.653 ( -0.554 0.000 -2.090) 2.163 3.795 ( 1.414 0.000 3.765) 4.022 4.032 ( 11.604 0.000 0.884) 11.638 4.080 ( -1.434 0.000 0.630) 1.566 4.129 ( 4.271 0.000 -3.381) 5.447 4.310 ( 2.169 0.000 0.057) 2.170 4.382 ( -3.348 0.000 -1.709) 3.760 4.660 ( 0.379 0.000 0.326) 0.500 4.668 ( 3.912 0.000 1.869) 4.336 4.806 ( -1.046 0.000 -2.837) 3.024 4.885 ( 1.329 0.000 -2.269) 2.630 5.231 ( -0.411 0.000 3.507) 3.531 5.365 ( 6.083 0.000 0.264) 6.089 5.586 ( 3.363 0.000 1.590) 3.720 5.689 ( -8.080 0.000 -1.800) 8.278 6.269 ( 5.496 0.000 8.033) 9.733 6.787 ( -6.417 0.000 -6.834) 9.374 7.934 ( 4.907 0.000 1.594) 5.160 8.016 ( 2.876 0.000 -0.904) 3.015 11.446 ( -1.122 0.000 0.763) 1.357 11.529 ( -0.038 0.000 -1.455) 1.456 13.534 ( 1.655 0.000 0.587) 1.756 13.591 ( -4.370 0.000 -1.095) 4.505 14.597 ( -0.833 0.000 1.376) 1.608 14.720 ( 0.380 0.000 -2.008) 2.044 16.910 ( 0.158 0.000 0.958) 0.971 16.964 ( -0.090 0.000 -0.606) 0.613 20.689 ( 0.103 0.000 -0.359) 0.374 20.709 ( -0.364 0.000 -0.818) 0.895 20.731 ( 0.138 0.000 0.114) 0.179 20.749 ( -0.364 0.000 -0.489) 0.610 21.580 ( 0.992 0.000 0.512) 1.117 21.599 ( -0.638 0.000 -0.273) 0.694 21.606 ( 1.499 0.000 -0.042) 1.499 21.637 ( -1.084 0.000 -0.706) 1.294 23.265 ( -0.520 0.000 0.274) 0.588 23.285 ( 0.173 0.000 -0.300) 0.346 23.526 ( -0.237 0.000 0.482) 0.537 23.559 ( 0.233 0.000 -0.457) 0.513 28.126 ( 1.920 0.000 3.121) 3.664 28.372 ( -2.902 0.000 -3.947) 4.899 28.500 ( 1.633 0.000 0.167) 1.641 28.514 ( -7.938 0.000 -0.275) 7.942 31.797 ( -1.224 0.000 0.559) 1.345 31.818 ( 1.115 0.000 0.048) 1.116 31.818 ( 1.598 0.000 0.690) 1.741 31.824 ( -0.414 0.000 0.486) 0.639 35.535 ( 4.900 0.000 1.842) 5.235 35.698 ( -5.541 0.000 -2.955) 6.280 36.304 ( 3.379 0.000 1.856) 3.855 36.399 ( -2.204 0.000 -0.945) 2.398 39.041 ( 0.204 0.000 4.963) 4.968 39.380 ( -0.808 0.000 -4.594) 4.665 39.665 ( 6.497 0.000 3.684) 7.469 39.895 ( -3.925 0.000 -2.828) 4.838 42.684 ( -1.638 0.000 2.746) 3.198 42.953 ( 2.141 0.000 -6.000) 6.371 43.471 ( -4.168 0.000 6.199) 7.470 43.748 ( 26.735 0.000 -2.697) 26.871 85.097 ( -6.881 0.000 -2.608) 7.359 85.134 ( 26.152 0.000 -4.261) 26.496 85.631 ( 35.151 0.000 5.116) 35.521 85.683 ( -12.862 0.000 3.090) 13.228 ======================= Grid point 120 (54/116) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 6.262 0.000 5.057) 8.050 0.653 ( 4.197 0.000 6.743) 7.942 0.893 ( -2.581 0.000 -5.986) 6.519 1.032 ( 4.486 0.000 -0.683) 4.537 1.384 ( 13.704 0.000 6.437) 15.140 1.410 ( 2.240 0.000 0.071) 2.241 1.510 ( -9.865 0.000 -8.109) 12.770 1.613 ( 8.680 0.000 5.400) 10.222 1.731 ( -0.720 0.000 2.178) 2.294 1.771 ( -3.335 0.000 -0.407) 3.360 1.999 ( -2.861 0.000 -4.498) 5.331 2.047 ( 3.937 0.000 1.958) 4.397 2.364 ( -4.922 0.000 4.145) 6.435 2.452 ( -1.464 0.000 1.935) 2.427 2.855 ( 3.158 0.000 -1.552) 3.519 2.953 ( 8.367 0.000 0.306) 8.373 3.367 ( 2.292 0.000 3.103) 3.858 3.451 ( 2.468 0.000 2.657) 3.626 3.454 ( -4.709 0.000 -4.504) 6.516 3.561 ( 0.344 0.000 1.545) 1.583 3.568 ( 2.440 0.000 -2.941) 3.822 3.651 ( 2.368 0.000 -0.463) 2.412 3.842 ( -0.462 0.000 2.178) 2.226 3.999 ( -6.571 0.000 -1.338) 6.706 4.103 ( 0.539 0.000 -1.753) 1.834 4.106 ( -1.813 0.000 -6.499) 6.747 4.298 ( -4.718 0.000 -1.908) 5.089 4.350 ( 1.717 0.000 0.827) 1.906 4.628 ( -2.783 0.000 -0.481) 2.824 4.644 ( -7.419 0.000 0.467) 7.434 4.756 ( 0.430 0.000 -2.431) 2.469 4.911 ( 1.924 0.000 -1.376) 2.365 5.257 ( 0.592 0.000 2.330) 2.404 5.492 ( 6.637 0.000 -3.886) 7.691 5.542 ( -5.182 0.000 0.296) 5.191 5.705 ( 6.394 0.000 3.050) 7.084 6.503 ( 9.678 0.000 9.547) 13.594 6.590 ( -6.247 0.000 -7.584) 9.826 7.916 ( -6.600 0.000 -1.899) 6.868 8.004 ( -2.500 0.000 -2.013) 3.210 11.451 ( 1.169 0.000 1.067) 1.583 11.516 ( -0.308 0.000 -1.266) 1.303 13.499 ( -4.344 0.000 0.292) 4.354 13.567 ( 0.847 0.000 1.064) 1.360 14.603 ( 0.034 0.000 1.629) 1.629 14.725 ( 1.677 0.000 -1.982) 2.596 16.925 ( 0.339 0.000 0.960) 1.018 16.957 ( -0.048 0.000 -0.737) 0.738 20.695 ( 0.653 0.000 0.005) 0.653 20.703 ( 0.508 0.000 -0.601) 0.787 20.735 ( 0.063 0.000 0.295) 0.301 20.740 ( -0.064 0.000 -0.661) 0.664 21.578 ( -1.109 0.000 -0.460) 1.201 21.600 ( 0.472 0.000 0.585) 0.751 21.611 ( -0.733 0.000 -0.899) 1.160 21.634 ( 1.395 0.000 -0.144) 1.403 23.260 ( -0.409 0.000 0.409) 0.578 23.285 ( 0.053 0.000 -0.265) 0.270 23.527 ( -0.177 0.000 0.471) 0.503 23.560 ( 0.272 0.000 -0.448) 0.524 28.202 ( 2.316 0.000 4.055) 4.669 28.271 ( -3.540 0.000 -4.016) 5.353 28.417 ( -3.681 0.000 1.705) 4.057 28.526 ( 0.600 0.000 0.850) 1.040 31.783 ( -0.802 0.000 0.639) 1.025 31.813 ( -0.811 0.000 -0.115) 0.819 31.834 ( 0.491 0.000 0.150) 0.513 31.845 ( 0.626 0.000 0.212) 0.661 35.613 ( -0.048 0.000 -2.460) 2.461 35.764 ( 14.064 0.000 0.224) 14.065 36.349 ( -1.656 0.000 -2.076) 2.656 36.401 ( 4.615 0.000 1.792) 4.951 39.093 ( 0.182 0.000 5.544) 5.547 39.308 ( -1.645 0.000 -5.111) 5.370 39.810 ( -1.247 0.000 -3.529) 3.742 39.884 ( 10.728 0.000 0.983) 10.773 42.689 ( -0.527 0.000 2.751) 2.801 42.949 ( 2.894 0.000 -5.232) 5.979 43.404 ( -6.855 0.000 2.216) 7.205 44.009 ( 9.657 0.000 -10.374) 14.173 84.933 ( -5.728 0.000 -5.005) 7.606 85.397 ( 12.337 0.000 -4.425) 13.106 85.457 ( -10.474 0.000 -1.250) 10.549 86.392 ( 36.840 0.000 -13.335) 39.179 ======================= Grid point 121 (55/116) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 3.845 0.000 -2.309) 4.485 0.749 ( 1.056 0.000 -5.964) 6.057 0.805 ( -0.192 0.000 2.817) 2.823 1.103 ( 3.475 0.000 0.487) 3.509 1.245 ( -7.299 0.000 -9.994) 12.376 1.463 ( 1.915 0.000 1.091) 2.204 1.564 ( 5.383 0.000 -1.088) 5.492 1.698 ( -4.079 0.000 -0.142) 4.081 1.737 ( 0.394 0.000 0.783) 0.876 1.897 ( 11.503 0.000 4.668) 12.414 1.926 ( -0.545 0.000 -3.785) 3.824 2.130 ( 2.066 0.000 2.458) 3.210 2.364 ( -2.018 0.000 8.655) 8.887 2.423 ( -3.240 0.000 -0.077) 3.241 2.911 ( 3.668 0.000 -1.807) 4.088 3.122 ( 7.192 0.000 0.305) 7.198 3.363 ( -1.150 0.000 -2.051) 2.352 3.371 ( 0.100 0.000 -0.404) 0.416 3.573 ( 1.430 0.000 -2.049) 2.498 3.577 ( 4.039 0.000 5.620) 6.921 3.593 ( 0.632 0.000 1.690) 1.804 3.729 ( 4.323 0.000 1.570) 4.599 3.758 ( -6.819 0.000 -2.903) 7.411 3.883 ( -3.068 0.000 -0.673) 3.141 3.977 ( -3.371 0.000 -7.561) 8.278 4.075 ( -1.716 0.000 -1.678) 2.401 4.166 ( -6.384 0.000 -1.283) 6.512 4.391 ( 1.624 0.000 1.031) 1.924 4.534 ( -3.653 0.000 0.133) 3.655 4.580 ( -1.201 0.000 -0.757) 1.420 4.716 ( -4.186 0.000 1.401) 4.415 4.907 ( -0.886 0.000 -1.395) 1.653 5.293 ( 1.092 0.000 1.004) 1.484 5.509 ( -0.092 0.000 -0.438) 0.448 5.541 ( 4.258 0.000 -3.183) 5.316 5.853 ( 5.650 0.000 2.633) 6.233 6.438 ( -2.946 0.000 -5.848) 6.548 6.763 ( 8.070 0.000 7.169) 10.795 7.703 ( -12.061 0.000 -1.780) 12.192 7.917 ( -3.568 0.000 -2.442) 4.324 11.489 ( -1.105 0.000 -1.231) 1.655 11.502 ( 2.716 0.000 1.035) 2.906 13.432 ( -3.199 0.000 0.577) 3.250 13.579 ( -0.564 0.000 0.688) 0.889 14.625 ( 0.407 0.000 1.970) 2.012 14.740 ( 1.715 0.000 -2.005) 2.639 16.938 ( 0.139 0.000 0.735) 0.748 16.950 ( 0.069 0.000 -0.725) 0.729 20.710 ( 0.605 0.000 0.241) 0.651 20.715 ( 1.034 0.000 -0.565) 1.178 20.733 ( -0.098 0.000 -0.469) 0.479 20.737 ( -0.219 0.000 0.328) 0.394 21.555 ( -0.751 0.000 -0.338) 0.823 21.600 ( 0.238 0.000 -0.203) 0.312 21.606 ( -0.183 0.000 0.101) 0.209 21.658 ( 1.091 0.000 0.459) 1.184 23.256 ( -0.322 0.000 0.402) 0.515 23.283 ( -0.027 0.000 -0.251) 0.253 23.528 ( -0.193 0.000 0.459) 0.498 23.561 ( 0.266 0.000 -0.441) 0.515 28.180 ( -2.259 0.000 -2.952) 3.717 28.278 ( 1.525 0.000 3.744) 4.043 28.375 ( -2.522 0.000 1.242) 2.812 28.538 ( -0.591 0.000 1.628) 1.732 31.781 ( 0.068 0.000 0.504) 0.509 31.793 ( -0.759 0.000 -0.712) 1.041 31.840 ( 0.030 0.000 0.136) 0.139 31.842 ( -0.763 0.000 -0.501) 0.913 35.655 ( 4.411 0.000 1.348) 4.612 36.018 ( 12.091 0.000 0.255) 12.093 36.296 ( -1.554 0.000 -2.445) 2.897 36.498 ( 4.000 0.000 0.986) 4.119 39.143 ( -0.377 0.000 5.140) 5.154 39.244 ( 0.014 0.000 -4.390) 4.390 39.806 ( 2.808 0.000 -0.107) 2.810 40.056 ( 6.902 0.000 0.551) 6.924 42.711 ( 0.052 0.000 2.810) 2.810 42.962 ( 3.058 0.000 -4.630) 5.549 43.274 ( -6.050 0.000 -1.822) 6.318 44.013 ( 2.555 0.000 -10.838) 11.135 84.847 ( 1.577 0.000 -1.872) 2.447 85.299 ( -4.764 0.000 -0.938) 4.855 85.573 ( 10.436 0.000 -4.895) 11.526 86.751 ( 17.480 0.000 -15.599) 23.428 ======================= Grid point 122 (56/116) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -0.182 0.000 -6.154) 6.157 0.685 ( 3.448 0.000 -5.235) 6.268 0.845 ( 0.032 0.000 0.786) 0.786 1.065 ( -2.369 0.000 -8.882) 9.192 1.190 ( 4.024 0.000 3.708) 5.472 1.507 ( 1.504 0.000 1.391) 2.048 1.605 ( 0.179 0.000 -0.201) 0.269 1.626 ( -3.191 0.000 0.653) 3.257 1.767 ( 2.451 0.000 -1.475) 2.860 1.907 ( 1.360 0.000 -2.421) 2.777 2.063 ( 4.307 0.000 -1.865) 4.693 2.140 ( -2.010 0.000 -1.978) 2.820 2.362 ( -1.860 0.000 1.272) 2.253 2.411 ( -2.591 0.000 9.733) 10.072 2.923 ( 0.063 0.000 -4.484) 4.485 3.151 ( -1.863 0.000 -3.430) 3.903 3.364 ( 1.756 0.000 -0.387) 1.798 3.425 ( 2.718 0.000 1.624) 3.166 3.501 ( -3.576 0.000 -5.317) 6.407 3.595 ( 1.884 0.000 0.018) 1.885 3.631 ( -2.570 0.000 2.798) 3.799 3.728 ( -4.248 0.000 -2.518) 4.938 3.750 ( 0.453 0.000 2.675) 2.713 3.881 ( 4.194 0.000 2.689) 4.982 3.953 ( 3.740 0.000 -0.891) 3.845 4.033 ( -2.246 0.000 -3.583) 4.229 4.108 ( 3.249 0.000 5.808) 6.655 4.423 ( 0.703 0.000 0.638) 0.949 4.496 ( -1.079 0.000 0.420) 1.158 4.573 ( 0.943 0.000 -0.397) 1.023 4.648 ( -4.262 0.000 2.721) 5.057 4.864 ( -1.747 0.000 -1.802) 2.510 5.307 ( 0.100 0.000 0.136) 0.169 5.474 ( -0.745 0.000 -4.013) 4.081 5.649 ( 6.576 0.000 2.352) 6.984 5.940 ( 1.415 0.000 0.763) 1.608 6.375 ( 1.062 0.000 -3.775) 3.922 6.853 ( -3.366 0.000 -2.198) 4.020 7.533 ( -4.040 0.000 3.783) 5.534 7.849 ( -1.531 0.000 -1.493) 2.139 11.467 ( 0.050 0.000 -0.593) 0.595 11.554 ( 1.683 0.000 0.448) 1.742 13.390 ( -1.880 0.000 0.947) 2.105 13.560 ( -1.381 0.000 -0.444) 1.451 14.645 ( -0.367 0.000 1.860) 1.896 14.752 ( 1.456 0.000 -1.967) 2.448 16.942 ( -0.310 0.000 0.392) 0.499 16.947 ( 0.311 0.000 -0.560) 0.640 20.713 ( -0.167 0.000 -1.223) 1.234 20.713 ( -0.311 0.000 -0.325) 0.450 20.738 ( -0.028 0.000 0.483) 0.484 20.743 ( 0.977 0.000 0.324) 1.029 21.545 ( -0.072 0.000 -0.064) 0.096 21.596 ( -0.665 0.000 -0.410) 0.782 21.619 ( 1.170 0.000 1.246) 1.709 21.684 ( 0.918 0.000 0.917) 1.297 23.255 ( -0.246 0.000 0.388) 0.460 23.280 ( 0.001 0.000 -0.271) 0.271 23.528 ( -0.225 0.000 0.450) 0.503 23.561 ( 0.220 0.000 -0.458) 0.508 28.141 ( 0.330 0.000 -1.189) 1.234 28.291 ( -2.613 0.000 0.116) 2.616 28.369 ( 0.234 0.000 3.253) 3.261 28.533 ( -1.292 0.000 1.328) 1.853 31.774 ( -0.377 0.000 -1.038) 1.105 31.788 ( 0.054 0.000 -0.272) 0.277 31.815 ( -0.918 0.000 -0.496) 1.043 31.837 ( -0.329 0.000 -0.069) 0.336 35.764 ( 3.227 0.000 4.512) 5.547 36.172 ( 2.786 0.000 -4.049) 4.915 36.296 ( 4.636 0.000 2.745) 5.388 36.559 ( 1.640 0.000 0.071) 1.642 39.165 ( -1.922 0.000 4.031) 4.465 39.237 ( 2.613 0.000 -2.709) 3.764 39.902 ( 3.798 0.000 5.618) 6.782 40.171 ( 4.778 0.000 1.358) 4.968 42.736 ( -0.260 0.000 2.828) 2.840 42.974 ( 2.768 0.000 -4.485) 5.270 43.183 ( -1.034 0.000 -1.962) 2.218 43.935 ( 0.568 0.000 -12.000) 12.014 84.980 ( 8.345 0.000 8.409) 11.848 85.258 ( -0.096 0.000 1.740) 1.743 85.678 ( 5.882 0.000 -7.125) 9.239 86.845 ( 9.085 0.000 -15.837) 18.258 ======================= Grid point 123 (57/116) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -0.655 0.000 -2.691) 2.770 0.655 ( -2.636 0.000 -5.387) 5.998 0.820 ( -0.825 0.000 -2.934) 3.048 0.995 ( 2.754 0.000 -9.083) 9.491 1.332 ( 5.665 0.000 6.379) 8.531 1.532 ( -1.009 0.000 3.409) 3.555 1.595 ( -0.717 0.000 -0.109) 0.725 1.628 ( 2.379 0.000 3.176) 3.968 1.766 ( -0.539 0.000 -3.247) 3.292 1.930 ( 2.802 0.000 -1.437) 3.149 1.979 ( -8.104 0.000 -8.543) 11.776 2.068 ( -1.759 0.000 -4.604) 4.928 2.400 ( 1.455 0.000 6.739) 6.895 2.439 ( -3.344 0.000 9.147) 9.739 2.853 ( -0.979 0.000 -5.724) 5.807 3.028 ( -5.053 0.000 -8.534) 9.918 3.379 ( -0.894 0.000 -4.904) 4.985 3.404 ( 2.696 0.000 -1.043) 2.890 3.534 ( 3.850 0.000 2.885) 4.811 3.627 ( -0.951 0.000 4.385) 4.487 3.638 ( 0.838 0.000 -1.289) 1.538 3.649 ( -0.821 0.000 1.392) 1.616 3.739 ( -2.198 0.000 1.467) 2.643 3.947 ( -1.821 0.000 -3.498) 3.943 3.982 ( 1.199 0.000 2.061) 2.384 4.014 ( 3.699 0.000 0.421) 3.723 4.318 ( 7.228 0.000 7.231) 10.224 4.439 ( 0.703 0.000 0.897) 1.140 4.501 ( 2.246 0.000 0.547) 2.312 4.581 ( -0.812 0.000 -0.839) 1.168 4.625 ( -0.801 0.000 3.255) 3.352 4.823 ( 0.105 0.000 -2.411) 2.413 5.311 ( -0.135 0.000 0.622) 0.637 5.425 ( -0.972 0.000 -2.720) 2.889 5.799 ( 5.640 0.000 3.338) 6.554 5.912 ( -4.214 0.000 -1.021) 4.336 6.417 ( 5.847 0.000 -0.774) 5.898 6.630 ( -12.063 0.000 -8.042) 14.498 7.605 ( 4.502 0.000 5.771) 7.319 7.827 ( 0.623 0.000 -1.669) 1.781 11.486 ( 1.779 0.000 0.659) 1.897 11.564 ( -0.591 0.000 -0.824) 1.014 13.383 ( -0.163 0.000 1.854) 1.861 13.526 ( -1.089 0.000 -1.552) 1.896 14.645 ( -1.214 0.000 1.541) 1.962 14.759 ( 1.193 0.000 -1.808) 2.166 16.934 ( -0.703 0.000 0.139) 0.716 16.951 ( 0.557 0.000 -0.349) 0.657 20.698 ( -0.248 0.000 -0.868) 0.903 20.701 ( -0.213 0.000 -0.639) 0.674 20.740 ( -0.233 0.000 0.511) 0.561 20.762 ( 0.763 0.000 -0.021) 0.763 21.552 ( 0.632 0.000 0.270) 0.687 21.577 ( -0.781 0.000 -0.600) 0.985 21.656 ( 0.861 0.000 1.859) 2.049 21.705 ( 0.421 0.000 0.721) 0.835 23.255 ( -0.134 0.000 0.395) 0.417 23.278 ( 0.121 0.000 -0.297) 0.321 23.527 ( -0.247 0.000 0.455) 0.518 23.561 ( 0.194 0.000 -0.476) 0.514 28.170 ( 2.955 0.000 0.392) 2.981 28.221 ( -3.669 0.000 -1.140) 3.842 28.410 ( 0.667 0.000 3.422) 3.487 28.520 ( -0.756 0.000 0.433) 0.871 31.763 ( 0.228 0.000 -0.956) 0.983 31.764 ( -1.213 0.000 -0.949) 1.540 31.818 ( 0.657 0.000 0.000) 0.657 31.827 ( -0.493 0.000 -0.259) 0.557 35.842 ( 0.277 0.000 5.170) 5.177 36.133 ( -0.725 0.000 -3.816) 3.884 36.438 ( 5.031 0.000 3.332) 6.034 36.553 ( -1.975 0.000 -0.955) 2.194 39.141 ( -3.731 0.000 2.746) 4.633 39.284 ( 4.061 0.000 -1.358) 4.282 40.012 ( 0.609 0.000 7.623) 7.648 40.276 ( 4.846 0.000 2.299) 5.364 42.749 ( -1.205 0.000 2.757) 3.009 42.991 ( 3.291 0.000 -4.386) 5.483 43.198 ( 2.289 0.000 1.713) 2.859 43.808 ( -1.104 0.000 -15.690) 15.728 85.206 ( 2.741 0.000 9.059) 9.465 85.366 ( 6.738 0.000 12.356) 14.074 85.656 ( -0.354 0.000 -8.657) 8.665 86.824 ( 6.393 0.000 -21.388) 22.323 ======================= Grid point 124 (58/116) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -6.707 0.000 -4.044) 7.831 0.565 ( -6.634 0.000 1.611) 6.826 0.798 ( 2.787 0.000 -6.171) 6.771 0.949 ( 0.479 0.000 -8.101) 8.115 1.452 ( 0.073 0.000 4.885) 4.886 1.554 ( -5.830 0.000 -5.066) 7.724 1.584 ( 3.437 0.000 4.480) 5.647 1.655 ( -11.155 0.000 -4.231) 11.930 1.713 ( -3.701 0.000 -3.525) 5.112 1.758 ( 5.003 0.000 6.240) 7.998 1.985 ( 4.695 0.000 -1.132) 4.829 1.987 ( -1.618 0.000 -4.796) 5.061 2.470 ( -1.932 0.000 9.328) 9.526 2.531 ( 4.055 0.000 10.579) 11.329 2.816 ( 1.753 0.000 -3.968) 4.338 2.832 ( -5.486 0.000 -10.165) 11.550 3.337 ( -0.892 0.000 -1.514) 1.757 3.430 ( 1.747 0.000 -3.061) 3.524 3.604 ( -0.512 0.000 0.367) 0.629 3.605 ( -0.673 0.000 -1.396) 1.550 3.687 ( -1.817 0.000 5.047) 5.364 3.695 ( 1.492 0.000 1.456) 2.085 3.728 ( 5.110 0.000 2.086) 5.520 3.924 ( 2.538 0.000 -3.141) 4.038 3.963 ( -2.730 0.000 -0.747) 2.830 4.092 ( 3.652 0.000 -0.978) 3.780 4.410 ( 0.227 0.000 2.174) 2.186 4.434 ( -4.070 0.000 -0.860) 4.160 4.534 ( 0.221 0.000 -1.743) 1.757 4.622 ( 4.141 0.000 5.261) 6.695 4.676 ( 4.994 0.000 -1.060) 5.105 4.833 ( 2.959 0.000 -2.490) 3.868 5.300 ( -2.172 0.000 1.131) 2.449 5.386 ( -1.176 0.000 -1.989) 2.311 5.779 ( -7.537 0.000 -1.989) 7.795 5.895 ( 0.933 0.000 2.547) 2.713 6.334 ( -10.564 0.000 -6.281) 12.290 6.585 ( 10.211 0.000 3.202) 10.702 7.746 ( 5.312 0.000 2.583) 5.907 7.836 ( 2.534 0.000 -3.326) 4.181 11.519 ( -2.435 0.000 -2.158) 3.254 11.530 ( 1.605 0.000 0.966) 1.873 13.420 ( 1.649 0.000 3.332) 3.718 13.497 ( -0.168 0.000 -1.960) 1.967 14.632 ( -1.472 0.000 1.484) 2.090 14.766 ( 1.182 0.000 -1.501) 1.911 16.920 ( -0.840 0.000 0.130) 0.850 16.960 ( 0.586 0.000 -0.230) 0.629 20.691 ( 0.204 0.000 -0.315) 0.376 20.697 ( 0.242 0.000 -0.515) 0.569 20.738 ( -0.490 0.000 0.404) 0.635 20.769 ( 0.213 0.000 -0.410) 0.462 21.559 ( -0.451 0.000 -0.522) 0.690 21.571 ( 0.992 0.000 0.427) 1.080 21.679 ( -0.061 0.000 1.397) 1.398 21.708 ( -0.491 0.000 -0.224) 0.539 23.257 ( 0.013 0.000 0.434) 0.435 23.279 ( 0.245 0.000 -0.315) 0.399 23.527 ( -0.248 0.000 0.487) 0.547 23.560 ( 0.194 0.000 -0.472) 0.510 28.144 ( -3.120 0.000 -1.138) 3.321 28.251 ( 4.560 0.000 1.126) 4.697 28.463 ( 1.579 0.000 4.010) 4.310 28.513 ( -0.022 0.000 -0.468) 0.469 31.742 ( -0.300 0.000 -0.294) 0.420 31.765 ( 0.746 0.000 -0.546) 0.925 31.816 ( -0.357 0.000 -0.262) 0.443 31.827 ( 0.345 0.000 -0.168) 0.384 35.879 ( -1.103 0.000 5.244) 5.358 36.098 ( 0.344 0.000 -3.055) 3.074 36.468 ( -5.241 0.000 -2.207) 5.687 36.522 ( 1.005 0.000 2.009) 2.246 39.083 ( -4.427 0.000 1.985) 4.852 39.353 ( 3.980 0.000 -1.076) 4.123 40.058 ( -2.068 0.000 5.680) 6.045 40.396 ( 5.649 0.000 0.825) 5.709 42.741 ( -2.227 0.000 2.574) 3.404 43.008 ( 2.886 0.000 -5.267) 6.006 43.282 ( 2.356 0.000 5.955) 6.404 43.575 ( -6.104 0.000 -22.044) 22.874 85.279 ( -0.629 0.000 5.351) 5.388 85.530 ( -3.965 0.000 -7.962) 8.894 85.638 ( 4.085 0.000 18.779) 19.218 86.634 ( -1.013 0.000 -36.843) 36.857 ======================= Grid point 125 (59/116) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( -8.280 0.000 0.077) 8.280 0.412 ( -11.121 0.000 0.605) 11.138 0.734 ( -6.394 0.000 -4.863) 8.033 0.889 ( -0.307 0.000 -3.728) 3.741 1.245 ( -11.181 0.000 -1.909) 11.342 1.456 ( -2.445 0.000 2.359) 3.397 1.576 ( -2.277 0.000 -0.870) 2.438 1.651 ( -0.557 0.000 -0.106) 0.567 1.704 ( 3.951 0.000 4.228) 5.787 1.853 ( 0.028 0.000 3.613) 3.613 1.931 ( 0.131 0.000 -4.361) 4.363 2.101 ( 7.109 0.000 -0.127) 7.110 2.533 ( -1.149 0.000 8.291) 8.370 2.673 ( -1.762 0.000 -6.513) 6.747 2.730 ( 5.494 0.000 5.473) 7.755 2.868 ( 6.315 0.000 7.541) 9.836 3.307 ( -1.628 0.000 -0.174) 1.638 3.427 ( 1.863 0.000 -2.855) 3.409 3.520 ( -6.701 0.000 -0.532) 6.723 3.577 ( -1.274 0.000 -3.725) 3.937 3.692 ( -0.432 0.000 2.748) 2.782 3.716 ( -0.256 0.000 -0.223) 0.340 3.844 ( -2.985 0.000 0.987) 3.144 3.934 ( 5.086 0.000 0.708) 5.136 3.952 ( 1.585 0.000 -5.019) 5.263 4.075 ( -1.966 0.000 -6.804) 7.083 4.308 ( -3.854 0.000 -3.707) 5.348 4.444 ( 2.305 0.000 0.831) 2.450 4.566 ( 2.824 0.000 -0.550) 2.877 4.677 ( -0.998 0.000 -3.705) 3.837 4.738 ( 2.122 0.000 -0.177) 2.129 4.875 ( 3.367 0.000 -2.340) 4.100 5.252 ( -3.985 0.000 2.132) 4.519 5.340 ( -1.328 0.000 -1.680) 2.142 5.629 ( -5.608 0.000 -1.614) 5.836 5.871 ( -4.254 0.000 1.488) 4.507 6.169 ( -3.801 0.000 0.420) 3.825 6.811 ( 8.351 0.000 3.698) 9.134 7.822 ( 1.461 0.000 -1.120) 1.841 7.863 ( 4.425 0.000 -4.417) 6.252 11.454 ( -1.885 0.000 -1.430) 2.366 11.554 ( 0.289 0.000 0.071) 0.298 13.487 ( 0.826 0.000 -1.449) 1.668 13.507 ( 3.603 0.000 4.572) 5.822 14.618 ( -1.437 0.000 1.496) 2.075 14.774 ( 1.058 0.000 -1.718) 2.018 16.907 ( -0.664 0.000 0.374) 0.762 16.967 ( 0.381 0.000 -0.237) 0.448 20.698 ( 0.225 0.000 -0.395) 0.454 20.702 ( 0.865 0.000 0.428) 0.966 20.731 ( -0.405 0.000 0.218) 0.460 20.764 ( -0.236 0.000 -0.575) 0.621 21.553 ( 0.228 0.000 -0.227) 0.322 21.593 ( 0.819 0.000 0.313) 0.876 21.677 ( -1.927 0.000 -1.916) 2.718 21.679 ( -0.800 0.000 0.557) 0.974 23.263 ( 0.187 0.000 0.456) 0.493 23.281 ( 0.302 0.000 -0.324) 0.443 23.527 ( -0.240 0.000 0.527) 0.579 23.559 ( 0.197 0.000 -0.461) 0.501 28.090 ( -1.657 0.000 -0.234) 1.673 28.351 ( 4.592 0.000 0.849) 4.670 28.503 ( -0.279 0.000 -1.486) 1.512 28.556 ( 4.067 0.000 4.589) 6.132 31.748 ( 0.868 0.000 0.401) 0.956 31.778 ( 0.782 0.000 -0.061) 0.784 31.811 ( 0.028 0.000 -0.005) 0.028 31.827 ( -0.313 0.000 -0.043) 0.316 35.893 ( -2.634 0.000 4.459) 5.179 36.062 ( -1.364 0.000 -7.284) 7.411 36.336 ( -5.361 0.000 -2.658) 5.984 36.512 ( -2.806 0.000 0.193) 2.813 39.024 ( -3.427 0.000 2.164) 4.053 39.404 ( 2.727 0.000 -1.962) 3.359 40.045 ( -3.229 0.000 2.791) 4.268 40.414 ( -2.843 0.000 -14.633) 14.906 42.715 ( -2.744 0.000 2.367) 3.624 43.001 ( 1.997 0.000 -6.200) 6.514 43.179 ( -12.722 0.000 -17.192) 21.388 43.380 ( 0.857 0.000 8.111) 8.156 85.286 ( -3.041 0.000 3.424) 4.579 85.394 ( -3.188 0.000 -5.432) 6.298 85.821 ( -2.249 0.000 16.092) 16.249 85.969 ( -27.062 0.000 -55.946) 62.148 ======================= Grid point 126 (60/116) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.245 ( -4.199 0.000 7.971) 9.009 0.253 ( 1.981 0.000 11.206) 11.379 0.594 ( -7.393 0.000 12.729) 14.720 0.886 ( 1.878 0.000 -0.150) 1.884 1.146 ( -1.863 0.000 0.086) 1.865 1.417 ( -2.765 0.000 0.790) 2.876 1.524 ( -1.617 0.000 -0.651) 1.743 1.683 ( 1.677 0.000 1.787) 2.451 1.783 ( 0.468 0.000 2.187) 2.236 1.852 ( -1.653 0.000 0.539) 1.739 1.917 ( 2.424 0.000 -3.147) 3.972 2.181 ( 0.943 0.000 -2.112) 2.313 2.528 ( -2.558 0.000 1.428) 2.929 2.698 ( 4.602 0.000 1.940) 4.994 2.777 ( 1.689 0.000 -4.250) 4.573 3.065 ( -15.886 0.000 -8.901) 18.210 3.258 ( -3.956 0.000 1.217) 4.139 3.412 ( -3.097 0.000 0.558) 3.146 3.425 ( 1.433 0.000 -0.529) 1.528 3.556 ( 15.690 0.000 10.673) 18.976 3.683 ( -4.269 0.000 -0.021) 4.269 3.686 ( -1.110 0.000 -0.855) 1.402 3.756 ( -7.209 0.000 -4.914) 8.725 3.756 ( -1.447 0.000 1.065) 1.797 4.049 ( 3.351 0.000 1.869) 3.837 4.072 ( 4.404 0.000 -2.945) 5.298 4.271 ( 2.005 0.000 -1.584) 2.555 4.465 ( -1.514 0.000 -3.345) 3.672 4.585 ( 0.669 0.000 -0.682) 0.955 4.618 ( 3.084 0.000 -0.335) 3.102 4.789 ( 0.730 0.000 3.938) 4.005 4.897 ( 0.876 0.000 -2.323) 2.483 5.215 ( -2.042 0.000 3.497) 4.050 5.322 ( 0.061 0.000 -0.501) 0.505 5.557 ( -1.014 0.000 -0.215) 1.036 5.812 ( -3.745 0.000 0.633) 3.798 6.162 ( 0.147 0.000 4.472) 4.474 6.904 ( -0.369 0.000 -1.660) 1.700 7.819 ( 1.024 0.000 2.290) 2.509 7.934 ( 6.181 0.000 -2.370) 6.620 11.444 ( 0.568 0.000 0.945) 1.103 11.546 ( -0.377 0.000 -1.056) 1.121 13.501 ( 1.550 0.000 -0.389) 1.598 13.616 ( 3.142 0.000 1.160) 3.349 14.605 ( -1.302 0.000 1.398) 1.910 14.757 ( -0.888 0.000 -3.054) 3.181 16.903 ( -0.259 0.000 0.723) 0.768 16.969 ( 0.095 0.000 -0.388) 0.400 20.695 ( -0.147 0.000 -0.425) 0.449 20.720 ( 0.199 0.000 -0.083) 0.215 20.729 ( 0.013 0.000 0.069) 0.070 20.757 ( 0.045 0.000 -0.316) 0.319 21.562 ( 0.710 0.000 0.070) 0.714 21.605 ( 0.172 0.000 0.034) 0.175 21.610 ( -2.210 0.000 -1.527) 2.687 21.662 ( -1.085 0.000 -0.174) 1.098 23.270 ( 0.008 0.000 0.186) 0.186 23.284 ( 0.270 0.000 -0.322) 0.420 23.527 ( -0.287 0.000 0.494) 0.571 23.559 ( 0.204 0.000 -0.456) 0.500 28.082 ( 0.307 0.000 1.415) 1.448 28.422 ( 1.890 0.000 -1.178) 2.227 28.477 ( -0.139 0.000 -1.389) 1.396 28.643 ( 0.065 0.000 -1.684) 1.686 31.779 ( 1.630 0.000 0.781) 1.807 31.794 ( 0.937 0.000 0.307) 0.986 31.815 ( -0.956 0.000 0.262) 0.991 31.818 ( 0.295 0.000 0.586) 0.656 35.765 ( -19.388 0.000 -13.450) 23.597 35.834 ( -6.236 0.000 0.428) 6.251 36.261 ( -0.431 0.000 -0.149) 0.456 36.450 ( -2.980 0.000 0.064) 2.981 39.004 ( -1.148 0.000 3.476) 3.660 39.415 ( 0.982 0.000 -3.386) 3.525 39.870 ( -26.342 0.000 -16.918) 31.307 39.988 ( -4.060 0.000 -0.173) 4.064 42.696 ( -2.117 0.000 2.963) 3.642 42.975 ( 1.645 0.000 -6.440) 6.647 43.154 ( 18.385 0.000 13.077) 22.561 43.454 ( -1.249 0.000 8.156) 8.252 84.896 ( -23.665 0.000 -15.496) 28.287 85.224 ( -5.377 0.000 0.574) 5.407 85.352 ( 1.881 0.000 -0.454) 1.935 85.836 ( -8.872 0.000 10.082) 13.429 ======================= Grid point 127 (61/116) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 0.788 4.085 9.424) 10.301 0.632 ( 5.460 14.549 6.268) 16.756 0.934 ( 10.821 6.306 6.346) 14.040 0.977 ( 5.069 10.905 5.546) 13.243 1.226 ( -1.861 8.611 -0.626) 8.832 1.334 ( -0.965 -3.590 0.237) 3.725 1.460 ( 1.619 -3.953 0.422) 4.292 1.645 ( 1.126 -6.550 2.488) 7.097 1.717 ( -5.017 -0.336 -1.780) 5.334 1.773 ( -2.062 -4.812 -1.096) 5.348 2.050 ( 2.593 8.185 -0.528) 8.603 2.233 ( -2.535 10.202 -6.389) 12.301 2.425 ( -5.808 -2.844 3.453) 7.331 2.555 ( -6.775 1.242 -2.260) 7.249 2.846 ( 2.858 2.452 -1.930) 4.232 2.855 ( 0.127 3.160 -0.325) 3.179 3.232 ( 0.834 -2.781 3.624) 4.644 3.401 ( 0.961 -1.847 1.769) 2.732 3.428 ( 1.194 -5.070 1.930) 5.555 3.530 ( -2.065 -8.568 -2.652) 9.203 3.574 ( -0.844 -1.923 -2.480) 3.250 3.645 ( -1.097 -3.869 -1.915) 4.455 3.777 ( 0.906 1.372 1.027) 1.939 3.973 ( 13.083 -5.357 2.768) 14.406 4.052 ( -0.831 -3.692 0.376) 3.803 4.105 ( 1.304 -0.098 -2.059) 2.439 4.306 ( 0.864 -0.909 0.113) 1.259 4.361 ( -1.694 -1.612 -1.532) 2.796 4.666 ( 3.930 -0.129 1.809) 4.328 4.690 ( -0.039 2.718 0.038) 2.718 4.780 ( -2.195 -2.024 -0.207) 2.992 4.876 ( 1.773 -0.779 -2.207) 2.937 5.214 ( -0.075 -1.736 3.231) 3.668 5.339 ( 3.555 -2.375 0.027) 4.276 5.593 ( 2.639 0.842 1.969) 3.399 5.669 ( -5.493 -1.296 0.497) 5.665 6.331 ( 4.235 6.890 7.540) 11.057 6.845 ( -6.091 5.543 -7.132) 10.894 7.826 ( 3.822 -9.904 2.950) 11.018 7.955 ( 2.167 -6.080 -1.331) 6.590 11.534 ( -0.786 8.599 0.785) 8.670 11.617 ( -0.270 8.581 -1.511) 8.718 13.327 ( 1.157 -16.834 1.768) 16.966 13.425 ( -3.018 -15.539 -0.318) 15.833 14.805 ( -0.663 18.724 1.448) 18.791 14.937 ( 0.653 19.462 -2.298) 19.608 16.882 ( -0.020 -8.190 -0.216) 8.193 16.942 ( -0.954 -0.200 -4.871) 4.967 20.691 ( 0.192 0.144 -0.421) 0.485 20.704 ( -0.494 -0.324 -0.655) 0.882 20.735 ( -0.004 0.259 0.067) 0.268 20.750 ( -0.418 0.066 -0.428) 0.602 21.559 ( 0.062 -1.377 0.070) 1.380 21.578 ( 0.403 -1.321 -0.362) 1.428 21.629 ( 0.924 1.296 0.121) 1.596 21.650 ( -0.748 0.900 -0.390) 1.233 23.268 ( -0.348 0.371 0.385) 0.638 23.294 ( 0.094 0.637 -0.524) 0.830 23.522 ( -0.218 -0.359 0.441) 0.609 23.553 ( 0.208 -0.606 -0.426) 0.769 28.132 ( 1.641 0.577 2.882) 3.366 28.355 ( -2.869 -1.724 -3.361) 4.743 28.471 ( -3.361 -2.653 1.004) 4.398 28.491 ( -0.385 -1.527 -0.137) 1.581 31.799 ( -1.215 0.110 0.518) 1.326 31.810 ( 0.626 -0.319 0.369) 0.794 31.819 ( 1.043 -0.069 0.557) 1.185 31.827 ( 0.351 0.162 0.512) 0.642 35.578 ( 4.407 4.198 2.180) 6.465 35.822 ( -6.143 9.275 -7.174) 13.238 36.304 ( 2.916 -0.150 1.245) 3.174 36.369 ( -1.847 -2.800 -0.687) 3.423 39.063 ( 0.396 2.386 4.920) 5.482 39.402 ( -1.143 1.998 -4.363) 4.933 39.645 ( 4.869 -1.775 3.452) 6.227 39.910 ( -3.901 0.670 -4.996) 6.374 42.690 ( -1.372 0.655 2.832) 3.214 42.931 ( 2.800 -2.113 -4.191) 5.466 43.468 ( -1.997 -0.295 5.292) 5.664 43.674 ( 18.629 -5.738 -0.708) 19.505 85.070 ( 14.847 -2.662 -0.266) 15.086 85.121 ( -0.272 0.642 -2.491) 2.587 85.539 ( 18.797 -5.960 6.656) 20.812 85.696 ( -3.836 -1.952 0.096) 4.305 ======================= Grid point 128 (62/116) ======================= q-point: ( 0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 3.973 2.139 7.236) 8.528 0.763 ( 4.876 15.492 1.687) 16.329 1.035 ( 0.824 7.269 -2.156) 7.627 1.076 ( 2.226 9.980 -2.579) 10.546 1.327 ( 3.693 -6.387 2.187) 7.695 1.389 ( 7.775 -1.655 1.830) 8.157 1.523 ( -6.051 2.235 -5.522) 8.491 1.611 ( 7.587 1.117 5.291) 9.317 1.671 ( -1.449 -4.641 1.560) 5.107 1.723 ( -1.030 -5.009 0.104) 5.115 2.100 ( -1.522 8.132 -3.039) 8.814 2.110 ( -0.041 6.572 -0.040) 6.572 2.371 ( -3.340 0.835 3.696) 5.051 2.496 ( -1.020 3.763 2.037) 4.399 2.843 ( 1.718 -0.594 -1.943) 2.661 2.961 ( 7.438 0.856 -0.246) 7.491 3.307 ( 1.932 -6.010 3.062) 7.016 3.418 ( -3.841 -7.928 -1.316) 8.907 3.435 ( 0.301 -2.327 1.042) 2.568 3.497 ( 1.863 -1.602 1.898) 3.105 3.537 ( -0.541 -1.643 -2.316) 2.891 3.657 ( 4.598 -4.086 -2.330) 6.578 3.799 ( -1.129 -0.795 1.429) 1.988 3.992 ( -4.716 -1.512 -0.465) 4.974 4.053 ( -0.914 -4.113 -5.468) 6.903 4.105 ( 0.869 0.229 -1.824) 2.033 4.304 ( -2.636 -0.153 -1.492) 3.033 4.340 ( 1.295 -0.651 0.624) 1.578 4.612 ( -6.628 -0.781 -0.026) 6.674 4.662 ( -4.933 1.392 0.097) 5.126 4.747 ( 0.118 -0.886 -0.887) 1.260 4.904 ( 1.745 -0.721 -1.757) 2.580 5.237 ( 0.517 -1.817 1.898) 2.678 5.448 ( 6.287 -4.454 -1.958) 7.950 5.567 ( -2.774 2.760 0.421) 3.936 5.719 ( 6.064 0.969 2.605) 6.671 6.534 ( 7.774 4.072 9.181) 12.701 6.652 ( -5.664 6.086 -7.116) 10.944 7.823 ( -5.752 -8.691 -0.622) 10.441 7.937 ( -2.199 -6.834 -2.198) 7.508 11.534 ( 0.411 8.252 1.029) 8.326 11.603 ( -0.132 8.578 -1.096) 8.648 13.319 ( -3.686 -15.711 0.812) 16.158 13.401 ( 0.940 -14.803 0.937) 14.862 14.813 ( -0.025 18.761 1.599) 18.829 14.936 ( 1.302 18.917 -2.268) 19.097 16.877 ( -0.367 -7.389 -0.307) 7.404 16.896 ( -0.532 -4.364 -1.231) 4.565 20.695 ( 0.382 -0.215 -0.363) 0.569 20.699 ( 0.648 -0.098 -0.212) 0.689 20.737 ( -0.072 0.001 0.131) 0.149 20.742 ( 0.002 0.220 -0.249) 0.332 21.554 ( -0.529 -1.543 -0.086) 1.633 21.581 ( 0.287 -1.358 -0.469) 1.465 21.631 ( -0.539 1.154 -0.288) 1.306 21.652 ( 0.971 1.278 -0.109) 1.609 23.265 ( -0.372 0.502 0.411) 0.748 23.291 ( -0.019 0.487 -0.342) 0.595 23.523 ( -0.151 -0.354 0.437) 0.582 23.553 ( 0.262 -0.606 -0.420) 0.782 28.199 ( 1.976 -0.260 3.727) 4.226 28.264 ( -3.103 -0.639 -3.483) 4.709 28.407 ( -3.254 -0.909 1.440) 3.672 28.509 ( 0.603 -1.574 0.577) 1.781 31.783 ( -0.849 0.064 0.607) 1.046 31.814 ( -0.667 -0.044 0.153) 0.686 31.830 ( 0.595 -0.087 0.138) 0.617 31.845 ( 0.439 -0.041 0.173) 0.473 35.658 ( 0.167 4.294 -1.913) 4.704 35.819 ( 11.041 4.788 -0.650) 12.052 36.328 ( -0.934 -1.966 -1.400) 2.588 36.391 ( 4.206 -1.079 0.962) 4.448 39.116 ( 0.068 2.355 5.082) 5.601 39.348 ( -0.400 3.822 -4.755) 6.113 39.743 ( 0.485 -5.250 -0.802) 5.333 39.896 ( 7.414 -0.170 -1.473) 7.561 42.700 ( -0.350 1.152 2.733) 2.987 42.944 ( 3.042 -0.623 -4.693) 5.627 43.410 ( -6.240 0.608 1.415) 6.427 43.901 ( 8.666 -9.530 -6.781) 14.557 84.952 ( -5.406 1.886 -4.651) 7.377 85.325 ( 5.828 -4.735 -1.374) 7.633 85.479 ( -3.008 0.289 -3.157) 4.370 86.228 ( 33.166 -14.391 -7.139) 36.852 ======================= Grid point 129 (63/116) ======================= q-point: ( 0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 3.554 2.687 2.387) 5.054 0.828 ( 3.110 12.974 -4.067) 13.948 0.974 ( -0.235 14.459 -4.555) 15.162 1.154 ( 3.479 6.572 2.114) 7.731 1.304 ( -6.830 7.223 -7.977) 12.745 1.388 ( 1.688 -6.506 1.644) 6.920 1.515 ( 4.478 -4.726 -0.332) 6.519 1.633 ( -1.830 -5.357 0.035) 5.661 1.724 ( 1.429 -2.182 -0.029) 2.608 1.888 ( 10.121 -0.448 4.063) 10.915 1.995 ( -2.344 6.072 -4.337) 7.821 2.173 ( 1.621 3.914 2.996) 5.189 2.370 ( -1.948 1.612 5.076) 5.671 2.488 ( -2.230 5.133 2.041) 5.957 2.874 ( 2.768 -2.803 -2.022) 4.428 3.104 ( 6.441 -1.588 0.195) 6.636 3.323 ( -1.143 -4.818 -0.654) 4.995 3.349 ( -0.649 -4.893 -0.236) 4.942 3.467 ( -0.029 -7.496 0.089) 7.497 3.500 ( 0.512 -5.918 1.176) 6.055 3.569 ( -0.153 -2.467 1.744) 3.025 3.720 ( -0.790 -4.020 -1.399) 4.329 3.760 ( 3.206 2.149 -0.255) 3.868 3.922 ( -1.478 -2.234 -1.962) 3.321 3.940 ( -3.807 2.587 -3.876) 6.017 4.091 ( -0.128 0.950 -2.760) 2.922 4.201 ( -5.960 3.562 -0.295) 6.949 4.383 ( 2.018 -1.030 1.038) 2.492 4.517 ( -2.892 -2.836 0.061) 4.051 4.570 ( -3.625 0.786 -0.803) 3.795 4.711 ( -4.111 -0.804 1.763) 4.545 4.890 ( -1.400 -1.837 -1.684) 2.859 5.280 ( 2.433 -0.927 0.700) 2.696 5.496 ( 1.546 -1.772 -2.431) 3.382 5.583 ( 3.600 4.055 -0.175) 5.425 5.855 ( 5.214 0.015 2.163) 5.645 6.488 ( -3.364 5.204 -5.707) 8.424 6.787 ( 7.559 2.792 7.327) 10.892 7.640 ( -10.842 -6.198 -1.391) 12.566 7.852 ( -3.574 -6.435 -2.436) 7.754 11.563 ( 1.043 6.937 0.113) 7.016 11.590 ( 0.081 9.066 -0.067) 9.067 13.253 ( -3.251 -15.674 0.267) 16.010 13.424 ( -0.058 -14.035 0.991) 14.070 14.832 ( 0.241 18.535 1.815) 18.625 14.942 ( 1.400 18.266 -2.047) 18.434 16.868 ( -0.234 -7.152 -0.080) 7.156 16.888 ( -0.105 -6.334 -0.098) 6.336 20.700 ( 0.485 -0.630 -0.442) 0.910 20.717 ( 0.960 -0.075 0.301) 1.009 20.731 ( -0.254 0.175 -0.344) 0.462 20.745 ( 0.137 0.505 0.295) 0.601 21.543 ( -0.314 -0.899 -0.109) 0.959 21.583 ( 0.450 -1.071 -0.158) 1.173 21.620 ( -0.409 0.854 -0.091) 0.952 21.669 ( 0.755 0.836 0.297) 1.165 23.262 ( -0.327 0.505 0.392) 0.719 23.287 ( -0.069 0.380 -0.264) 0.467 23.524 ( -0.155 -0.325 0.422) 0.555 23.555 ( 0.263 -0.595 -0.418) 0.773 28.185 ( -1.921 0.452 -2.665) 3.316 28.266 ( 1.227 -1.088 3.540) 3.902 28.366 ( -2.522 -0.847 1.122) 2.888 28.520 ( -0.390 -1.739 1.190) 2.143 31.781 ( 0.015 0.032 0.544) 0.546 31.797 ( -0.805 0.258 -0.598) 1.035 31.838 ( -0.353 -0.296 -0.235) 0.517 31.842 ( -0.260 0.082 -0.149) 0.310 35.688 ( 4.047 3.402 0.302) 5.296 36.037 ( 10.394 1.520 1.047) 10.557 36.294 ( -0.967 -0.220 -2.024) 2.254 36.479 ( 3.936 -1.919 0.671) 4.430 39.157 ( 0.359 1.826 3.200) 3.702 39.307 ( -0.491 5.688 -2.324) 6.164 39.756 ( 3.301 -4.585 -0.469) 5.669 40.040 ( 6.317 -1.921 1.048) 6.685 42.723 ( 0.102 1.224 2.567) 2.846 42.960 ( 3.008 -0.322 -4.516) 5.435 43.287 ( -5.540 1.266 -2.019) 6.030 43.924 ( 2.374 -8.277 -8.632) 12.192 84.870 ( 1.319 2.296 -1.746) 3.171 85.272 ( -3.769 -2.558 -0.709) 4.610 85.571 ( 9.813 -0.058 -4.418) 10.762 86.607 ( 17.327 -13.402 -12.097) 25.024 ======================= Grid point 130 (64/116) ======================= q-point: ( 0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -1.157 6.604 -3.807) 7.710 0.849 ( 4.704 10.268 -4.481) 12.151 0.968 ( 2.435 16.061 -2.069) 16.376 1.126 ( -3.937 8.317 -7.691) 11.992 1.243 ( 2.118 6.092 4.187) 7.690 1.429 ( 1.146 -5.762 2.414) 6.352 1.564 ( 1.046 -3.621 0.861) 3.866 1.604 ( -1.440 -3.803 0.053) 4.067 1.760 ( 2.873 -0.639 -2.210) 3.680 1.940 ( 0.472 3.792 -2.567) 4.603 2.039 ( 3.912 -2.447 -1.702) 4.918 2.197 ( -1.642 5.117 -0.198) 5.378 2.349 ( -3.114 0.161 2.562) 4.035 2.487 ( -1.300 5.831 6.073) 8.519 2.870 ( -0.522 -4.269 -4.758) 6.414 3.158 ( -0.138 -0.172 -2.025) 2.037 3.303 ( -0.412 -6.748 -1.270) 6.879 3.385 ( 3.218 -3.152 1.593) 4.778 3.439 ( -2.018 -9.592 -1.619) 9.935 3.464 ( -2.108 -7.259 -0.499) 7.575 3.559 ( -0.616 -4.603 0.710) 4.698 3.727 ( 0.170 -1.139 0.688) 1.341 3.826 ( -0.984 3.328 -1.435) 3.755 3.861 ( 2.632 -1.864 1.014) 3.381 3.953 ( 2.504 0.761 1.257) 2.904 4.048 ( -1.153 1.496 -3.437) 3.922 4.164 ( 2.053 5.436 4.737) 7.497 4.419 ( 0.340 -0.388 0.859) 1.002 4.486 ( -0.928 -3.338 0.335) 3.481 4.529 ( 0.231 -1.101 -0.320) 1.169 4.648 ( -3.984 -0.786 2.445) 4.740 4.836 ( -2.024 -2.817 -1.902) 3.956 5.326 ( 1.843 1.848 0.117) 2.613 5.483 ( 0.054 0.683 -3.080) 3.156 5.679 ( 5.447 2.766 1.752) 6.355 5.933 ( 1.312 -0.763 0.510) 1.601 6.418 ( 0.732 4.605 -3.569) 5.872 6.878 ( -3.142 2.624 -1.818) 4.479 7.485 ( -3.805 -4.754 3.711) 7.131 7.784 ( -1.514 -6.407 -1.531) 6.759 11.559 ( 0.175 8.792 -0.629) 8.816 11.617 ( 1.080 6.537 0.609) 6.654 13.210 ( -1.631 -15.697 0.817) 15.802 13.411 ( -1.445 -13.651 -0.465) 13.736 14.849 ( -0.316 18.377 1.789) 18.467 14.951 ( 1.358 17.994 -1.811) 18.136 16.866 ( -0.032 -7.361 0.121) 7.362 16.885 ( -0.120 -6.566 -0.034) 6.567 20.701 ( 0.160 -0.578 -0.702) 0.923 20.716 ( -0.676 -0.223 -0.422) 0.828 20.740 ( 0.693 0.465 0.268) 0.877 20.751 ( 0.308 0.568 0.347) 0.734 21.542 ( 0.176 -0.255 0.102) 0.326 21.592 ( -0.012 -0.469 -0.026) 0.470 21.620 ( 0.563 0.245 0.859) 1.056 21.687 ( 0.664 0.224 0.677) 0.974 23.260 ( -0.252 0.483 0.376) 0.662 23.284 ( -0.020 0.332 -0.258) 0.421 23.525 ( -0.192 -0.296 0.406) 0.538 23.555 ( 0.218 -0.579 -0.435) 0.756 28.152 ( 0.381 0.995 -1.091) 1.525 28.282 ( -2.256 -0.796 0.542) 2.453 28.351 ( -0.184 -1.620 2.794) 3.235 28.516 ( -1.017 -1.709 0.892) 2.180 31.776 ( -0.459 0.120 -1.039) 1.142 31.786 ( -0.296 -0.198 -0.299) 0.464 31.815 ( -0.610 0.024 -0.383) 0.721 31.839 ( -0.259 0.184 -0.093) 0.331 35.787 ( 3.665 2.399 3.349) 5.514 36.176 ( 2.329 0.230 -2.989) 3.796 36.295 ( 3.857 -0.059 2.368) 4.526 36.539 ( 1.731 -1.980 0.031) 2.630 39.193 ( 0.509 2.814 2.522) 3.813 39.283 ( -0.169 4.418 -1.205) 4.583 39.862 ( 5.049 -3.682 4.577) 7.745 40.145 ( 3.616 -2.724 1.904) 4.911 42.747 ( -0.210 1.048 2.529) 2.745 42.972 ( 2.789 -0.377 -4.454) 5.269 43.201 ( -0.973 1.833 -1.987) 2.873 43.857 ( 0.116 -7.331 -10.403) 12.727 84.988 ( 7.602 0.931 7.427) 10.669 85.242 ( 0.206 -1.534 1.790) 2.366 85.674 ( 5.656 -0.075 -6.436) 8.569 86.719 ( 8.374 -11.981 -14.144) 20.340 ======================= Grid point 131 (65/116) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -5.169 4.089 -3.122) 7.292 0.887 ( 1.291 15.994 -3.549) 16.434 0.981 ( -1.278 15.188 -5.479) 16.196 1.011 ( 2.712 7.326 -6.428) 10.116 1.335 ( 2.873 0.097 5.411) 6.128 1.487 ( 0.686 -2.988 5.197) 6.034 1.572 ( 0.244 -3.369 -0.836) 3.480 1.613 ( 1.879 -1.128 3.096) 3.793 1.764 ( -0.214 -0.121 -3.276) 3.285 1.935 ( -1.266 0.674 -4.217) 4.454 1.999 ( -3.481 1.156 -4.061) 5.473 2.114 ( -2.217 5.458 -4.858) 7.636 2.345 ( -2.145 -2.516 6.518) 7.309 2.540 ( 0.279 6.613 7.739) 10.183 2.793 ( -0.777 -4.452 -6.172) 7.650 3.070 ( -4.247 2.773 -7.512) 9.064 3.284 ( 0.494 -7.682 -1.536) 7.850 3.381 ( -0.951 -6.397 -1.485) 6.635 3.470 ( 4.570 -5.238 1.834) 7.189 3.495 ( 0.339 -5.304 2.134) 5.727 3.568 ( 1.340 -6.262 2.917) 7.037 3.711 ( -1.446 -1.510 -0.529) 2.156 3.799 ( -0.596 6.640 -0.287) 6.673 3.880 ( -2.145 -4.335 0.198) 4.841 4.012 ( 3.314 0.866 -0.267) 3.436 4.040 ( 1.898 1.624 -0.777) 2.616 4.320 ( 6.593 0.975 6.239) 9.129 4.417 ( -0.920 -1.460 1.087) 2.040 4.481 ( -0.094 -3.050 0.638) 3.118 4.554 ( 1.884 -1.450 -0.859) 2.528 4.616 ( -2.178 -1.514 2.868) 3.906 4.798 ( 0.599 -2.665 -2.176) 3.493 5.353 ( 0.531 3.905 0.665) 3.996 5.449 ( -0.958 2.201 -2.339) 3.352 5.799 ( 4.409 0.054 2.762) 5.203 5.904 ( -3.968 -0.771 -1.102) 4.189 6.461 ( 5.967 4.666 -0.485) 7.590 6.664 ( -11.773 3.506 -7.441) 14.362 7.553 ( 3.988 -5.128 5.461) 8.487 7.764 ( 0.831 -6.219 -1.610) 6.477 11.575 ( 1.543 8.607 0.334) 8.751 11.621 ( -0.832 5.936 -0.437) 6.010 13.211 ( 0.325 -15.135 2.011) 15.271 13.369 ( -1.609 -14.122 -1.891) 14.338 14.851 ( -1.063 18.513 1.557) 18.609 14.960 ( 1.314 18.156 -1.608) 18.274 16.869 ( 0.166 -6.952 0.212) 6.958 16.884 ( 0.109 -6.579 -0.149) 6.581 20.696 ( -0.027 -0.216 -0.723) 0.755 20.700 ( -0.304 -0.103 -0.539) 0.627 20.746 ( -0.281 0.502 0.424) 0.715 20.764 ( 0.568 0.158 0.045) 0.591 21.552 ( 0.507 0.060 0.423) 0.663 21.582 ( -0.470 0.392 -0.492) 0.785 21.651 ( 0.883 -0.391 1.737) 1.988 21.703 ( 0.270 -0.294 0.509) 0.646 23.259 ( -0.139 0.463 0.379) 0.614 23.282 ( 0.128 0.333 -0.276) 0.451 23.524 ( -0.226 -0.288 0.406) 0.547 23.555 ( 0.186 -0.565 -0.448) 0.745 28.178 ( 2.333 0.652 0.341) 2.446 28.223 ( -2.916 0.352 -0.846) 3.056 28.385 ( 0.427 -2.398 3.259) 4.069 28.504 ( -0.582 -1.670 0.070) 1.770 31.758 ( -1.122 -0.341 -0.864) 1.457 31.764 ( 0.057 -0.082 -0.997) 1.002 31.820 ( 0.607 0.187 0.025) 0.636 31.830 ( -0.447 0.272 -0.296) 0.601 35.868 ( 0.947 2.645 4.511) 5.314 36.132 ( -1.519 -0.131 -3.591) 3.901 36.422 ( 4.471 -1.434 3.201) 5.683 36.536 ( -1.592 -1.719 -0.944) 2.526 39.186 ( -3.933 4.262 2.443) 6.293 39.309 ( 4.141 2.406 -1.128) 4.921 39.984 ( 1.024 -2.629 6.998) 7.546 40.227 ( 3.704 -4.770 2.031) 6.372 42.757 ( -1.212 0.874 2.509) 2.920 42.992 ( 3.610 -0.117 -4.235) 5.566 43.210 ( 1.881 1.285 1.172) 2.562 43.734 ( -1.773 -6.846 -13.806) 15.512 85.199 ( 3.090 -0.588 8.633) 9.189 85.339 ( 5.575 -2.376 10.235) 11.895 85.659 ( -0.112 0.474 -7.170) 7.187 86.682 ( 3.684 -13.332 -19.664) 24.041 ======================= Grid point 132 (66/116) ======================= q-point: (-0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -7.678 1.539 -0.159) 7.832 0.793 ( -6.173 21.890 -2.874) 22.925 0.930 ( 1.580 0.656 -7.020) 7.225 1.027 ( 2.620 18.664 -4.209) 19.311 1.417 ( -0.037 -3.824 4.546) 5.941 1.495 ( -2.737 -4.538 -0.691) 5.344 1.575 ( -3.494 -0.788 -0.404) 3.605 1.670 ( -6.107 0.778 -3.166) 6.922 1.712 ( -5.934 -0.949 -3.658) 7.035 1.741 ( 4.929 -1.036 5.661) 7.577 1.999 ( 1.660 3.491 -2.222) 4.459 2.069 ( 2.278 6.564 -2.460) 7.370 2.382 ( -1.016 -4.474 8.522) 9.679 2.646 ( 2.695 6.402 9.392) 11.682 2.750 ( 1.350 -2.922 -6.052) 6.855 2.900 ( -4.588 3.496 -7.654) 9.584 3.292 ( 0.622 -5.227 0.045) 5.264 3.357 ( -0.679 -6.363 -1.123) 6.497 3.500 ( 0.191 -7.537 -0.118) 7.540 3.580 ( 2.170 -4.726 0.450) 5.220 3.625 ( 1.313 -3.366 2.332) 4.300 3.678 ( 0.553 -3.334 -0.468) 3.411 3.809 ( 1.035 3.346 0.418) 3.527 3.830 ( -2.160 -2.555 0.118) 3.347 4.038 ( 1.397 3.778 -2.455) 4.717 4.095 ( 3.602 -0.168 -1.011) 3.745 4.399 ( -0.819 -1.155 1.299) 1.922 4.426 ( -3.038 -0.484 -0.263) 3.088 4.504 ( 3.499 -2.260 0.778) 4.238 4.598 ( 4.547 -4.356 -1.516) 6.476 4.616 ( -0.563 -2.685 3.810) 4.695 4.825 ( 3.730 -1.714 -2.268) 4.690 5.345 ( -2.459 3.898 1.014) 4.719 5.401 ( -2.159 1.474 -2.050) 3.322 5.778 ( -6.847 -0.103 -1.692) 7.053 5.873 ( -0.219 -1.965 2.342) 3.065 6.378 ( -10.017 4.844 -5.339) 12.341 6.636 ( 10.153 5.071 2.978) 11.733 7.675 ( 4.171 -6.883 2.393) 8.396 7.779 ( 2.875 -5.595 -3.035) 6.984 11.581 ( -2.225 6.476 -1.295) 6.969 11.611 ( 1.438 7.927 0.602) 8.079 13.254 ( 1.289 -14.704 2.946) 15.052 13.330 ( -0.075 -14.832 -1.789) 14.940 14.840 ( -1.414 18.672 1.417) 18.779 14.971 ( 1.266 18.455 -1.501) 18.559 16.878 ( 0.556 -6.958 0.227) 6.984 16.889 ( 0.852 -5.019 -0.296) 5.100 20.690 ( 0.124 -0.054 -0.308) 0.336 20.697 ( 0.403 0.016 -0.399) 0.568 20.741 ( -0.585 0.361 0.376) 0.784 20.769 ( 0.102 0.008 -0.209) 0.232 21.557 ( -0.364 -0.005 -0.016) 0.365 21.580 ( 0.700 0.592 -0.008) 0.917 21.675 ( 0.099 -0.315 1.352) 1.391 21.702 ( -0.530 -0.589 -0.364) 0.872 23.261 ( -0.016 0.428 0.404) 0.588 23.284 ( 0.309 0.395 -0.292) 0.580 23.524 ( -0.239 -0.305 0.435) 0.583 23.554 ( 0.178 -0.564 -0.442) 0.738 28.149 ( -2.858 0.544 -0.813) 3.020 28.258 ( 4.218 0.641 0.859) 4.352 28.428 ( 0.943 -3.102 3.657) 4.887 28.497 ( 0.204 -1.685 -0.607) 1.802 31.737 ( -0.335 -0.401 -0.259) 0.584 31.766 ( 0.774 -0.066 -0.474) 0.911 31.819 ( -0.349 0.290 -0.317) 0.554 31.829 ( 0.307 0.146 -0.118) 0.360 35.899 ( -2.231 1.889 3.851) 4.835 36.089 ( 0.370 -0.606 -2.145) 2.260 36.445 ( -4.376 -2.037 -1.178) 4.968 36.515 ( 0.611 -0.967 1.047) 1.551 39.117 ( -4.767 3.379 1.698) 6.085 39.389 ( 4.624 3.357 -0.805) 5.770 40.010 ( -3.775 -4.498 4.771) 7.566 40.326 ( 4.424 -6.373 0.955) 7.817 42.746 ( -2.336 0.561 2.339) 3.354 43.022 ( 3.790 0.684 -5.280) 6.535 43.268 ( 0.259 -1.078 3.999) 4.150 43.525 ( -4.609 -4.195 -17.168) 18.264 85.275 ( -0.483 -0.243 5.156) 5.184 85.472 ( -2.550 -4.659 -1.450) 5.506 85.647 ( 1.707 0.154 10.914) 11.047 86.447 ( -5.668 -16.519 -31.445) 35.969 ======================= Grid point 133 (67/116) ======================= q-point: (-0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -8.131 3.425 3.120) 9.358 0.640 ( -7.941 18.769 -1.074) 20.408 0.894 ( -0.878 0.888 -3.272) 3.503 0.954 ( -6.960 19.545 -4.459) 21.221 1.314 ( -5.705 7.525 -0.735) 9.472 1.426 ( -2.967 -2.802 2.157) 4.616 1.499 ( -1.361 -6.723 -0.090) 6.860 1.608 ( -2.985 -3.719 -0.707) 4.821 1.696 ( 2.662 -1.836 2.046) 3.827 1.836 ( -0.334 -1.587 3.805) 4.136 2.000 ( 2.144 6.697 -3.928) 8.055 2.159 ( 6.397 6.036 0.800) 8.832 2.462 ( -0.090 -5.114 9.432) 10.730 2.676 ( -1.018 0.059 -6.619) 6.697 2.791 ( 2.550 3.749 -0.615) 4.575 2.871 ( 6.033 1.094 9.459) 11.272 3.297 ( -1.206 -1.726 0.434) 2.150 3.342 ( 1.068 -6.981 -0.109) 7.063 3.494 ( -0.541 -7.653 -2.407) 8.041 3.505 ( -5.645 -2.938 -1.979) 6.664 3.657 ( 0.004 -1.459 1.747) 2.276 3.713 ( -1.409 -5.502 -1.332) 5.834 3.765 ( -0.083 -6.375 -3.647) 7.345 3.880 ( 1.332 3.087 2.964) 4.482 4.019 ( -1.262 -0.506 -5.968) 6.120 4.108 ( 0.623 3.873 -3.024) 4.953 4.327 ( -3.264 1.561 -2.324) 4.300 4.421 ( 1.894 -1.855 0.290) 2.667 4.564 ( 1.275 -3.453 -3.042) 4.776 4.589 ( 0.610 -3.682 -1.389) 3.983 4.706 ( 2.700 -2.483 3.511) 5.077 4.869 ( 3.005 -1.423 -2.711) 4.290 5.270 ( -5.528 1.290 0.548) 5.703 5.349 ( -1.434 0.750 -0.401) 1.667 5.644 ( -5.329 1.454 -1.244) 5.662 5.827 ( -5.594 -3.200 2.431) 6.888 6.233 ( -2.935 6.824 0.581) 7.451 6.857 ( 8.392 4.524 3.260) 10.076 7.730 ( 0.810 -8.643 -0.899) 8.727 7.818 ( 4.554 -4.637 -3.565) 7.412 11.533 ( -1.293 8.010 -0.524) 8.131 11.632 ( 0.488 7.756 -0.058) 7.772 13.276 ( 0.222 -16.481 -0.144) 16.483 13.370 ( 3.054 -14.253 2.979) 14.878 14.825 ( -1.459 18.691 1.363) 18.797 14.976 ( 0.686 18.387 -1.880) 18.496 16.884 ( 0.146 -8.259 -0.131) 8.261 16.925 ( 3.587 -0.641 -1.174) 3.829 20.694 ( 0.322 -0.160 -0.265) 0.446 20.710 ( 1.012 0.301 0.308) 1.100 20.732 ( -0.648 0.187 0.166) 0.694 20.765 ( -0.249 0.097 -0.303) 0.404 21.551 ( 0.018 -0.141 -0.183) 0.231 21.593 ( 0.304 -0.112 0.083) 0.335 21.671 ( -1.638 -0.432 -1.592) 2.325 21.680 ( -0.627 0.022 0.509) 0.808 23.266 ( 0.045 0.322 0.413) 0.526 23.288 ( 0.491 0.539 -0.331) 0.801 23.523 ( -0.236 -0.341 0.469) 0.626 23.554 ( 0.178 -0.573 -0.429) 0.737 28.101 ( -1.578 1.062 -0.081) 1.904 28.348 ( 4.235 -0.221 0.606) 4.284 28.470 ( 0.043 -3.501 0.412) 3.525 28.515 ( 1.850 -3.079 2.262) 4.245 31.743 ( 0.886 -0.353 0.528) 1.090 31.782 ( 0.964 0.146 0.099) 0.980 31.812 ( -0.108 0.171 -0.140) 0.246 31.828 ( -0.275 0.147 0.018) 0.313 35.833 ( -6.994 -3.085 0.106) 7.645 36.104 ( 1.955 2.446 -1.679) 3.554 36.335 ( -4.494 -0.571 -2.287) 5.075 36.498 ( -2.982 -1.366 -0.209) 3.287 39.052 ( -3.533 2.784 1.929) 4.894 39.455 ( 3.353 4.663 -1.632) 5.971 39.934 ( -7.341 -9.785 0.357) 12.238 40.335 ( -3.168 -6.433 -8.007) 10.748 42.717 ( -2.733 0.273 2.332) 3.603 43.012 ( -0.611 -2.056 -9.867) 10.097 43.154 ( -5.772 1.488 -4.820) 7.665 43.423 ( 1.512 2.415 2.209) 3.605 85.273 ( -3.908 -1.414 1.538) 4.432 85.362 ( -3.482 -2.748 -3.767) 5.820 85.679 ( -17.770 -10.701 -11.591) 23.762 85.908 ( -10.989 -5.444 -14.558) 19.035 ======================= Grid point 134 (68/116) ======================= q-point: (-0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 2.954 11.459 10.232) 15.644 0.516 ( -5.805 9.546 6.874) 13.118 0.782 ( -4.073 18.772 4.084) 19.638 0.909 ( 0.730 5.866 1.573) 6.117 1.272 ( -1.240 11.176 -0.321) 11.249 1.376 ( -3.163 -2.990 0.464) 4.377 1.466 ( -1.384 -5.328 -0.527) 5.530 1.604 ( 1.020 -6.834 1.624) 7.098 1.749 ( 0.944 -3.407 1.182) 3.728 1.823 ( -2.769 -2.425 0.872) 3.783 2.014 ( 2.722 8.697 -2.743) 9.517 2.259 ( 3.534 6.831 -2.053) 7.960 2.491 ( -3.599 -3.337 4.086) 6.386 2.662 ( 2.038 -2.676 -2.238) 4.040 2.802 ( 2.557 2.209 -3.664) 4.984 3.056 ( -8.553 -0.584 -2.587) 8.954 3.238 ( -2.886 -2.307 1.372) 3.941 3.388 ( -1.002 -3.120 -1.383) 3.557 3.415 ( -3.319 -1.494 -0.967) 3.766 3.486 ( 12.569 -6.403 9.087) 16.780 3.605 ( -4.710 -5.886 -1.870) 7.767 3.668 ( -1.738 -6.132 0.540) 6.396 3.701 ( -1.127 -1.955 -0.930) 2.441 3.798 ( -2.543 4.505 -2.576) 5.779 4.023 ( 2.498 -2.368 1.304) 3.681 4.100 ( 0.944 2.163 -2.165) 3.203 4.292 ( 0.711 1.085 -0.899) 1.578 4.417 ( -1.878 -3.550 -2.505) 4.733 4.562 ( 3.966 -1.264 0.669) 4.216 4.644 ( 3.623 1.956 -0.393) 4.136 4.766 ( 0.494 -1.927 3.894) 4.373 4.887 ( 0.839 -0.998 -2.148) 2.513 5.203 ( -2.400 -1.068 2.474) 3.609 5.329 ( -0.814 0.244 -0.126) 0.859 5.570 ( -1.583 1.239 0.126) 2.014 5.755 ( -4.924 -3.657 3.042) 6.847 6.238 ( 0.536 7.761 3.992) 8.744 6.954 ( 0.419 4.798 -2.077) 5.246 7.730 ( 1.106 -8.484 1.837) 8.751 7.890 ( 5.484 -4.645 -2.060) 7.476 11.531 ( 0.311 8.483 0.778) 8.524 11.632 ( 0.114 8.411 -0.987) 8.469 13.290 ( 1.234 -17.140 0.447) 17.190 13.445 ( 1.064 -15.995 1.975) 16.152 14.811 ( -1.285 18.659 1.349) 18.751 14.958 ( -0.295 18.728 -2.436) 18.889 16.884 ( 0.030 -8.353 -0.239) 8.356 16.976 ( 3.573 1.741 -5.416) 6.718 20.694 ( 0.066 -0.035 -0.457) 0.463 20.720 ( -0.573 -0.177 -0.244) 0.647 20.732 ( 0.570 0.394 0.189) 0.718 20.758 ( -0.099 0.130 -0.252) 0.300 21.555 ( 0.418 -0.634 -0.115) 0.768 21.584 ( -0.896 -1.138 -0.569) 1.556 21.627 ( -0.854 0.883 -0.643) 1.387 21.668 ( -0.850 0.439 -0.046) 0.958 23.269 ( -0.105 0.217 0.361) 0.434 23.294 ( 0.454 0.655 -0.530) 0.958 23.523 ( -0.263 -0.367 0.449) 0.637 23.553 ( 0.179 -0.589 -0.428) 0.750 28.093 ( 0.205 1.092 1.369) 1.763 28.409 ( 1.208 -1.346 -1.506) 2.353 28.456 ( 0.266 -2.107 -0.609) 2.209 28.554 ( -1.438 -6.243 1.011) 6.486 31.777 ( 1.750 -0.173 1.070) 2.058 31.798 ( 0.574 0.424 0.044) 0.715 31.815 ( -0.071 -0.227 0.554) 0.603 31.820 ( -0.461 0.214 0.255) 0.568 35.643 ( -9.934 -1.787 -2.183) 10.327 36.041 ( -6.203 8.250 -7.921) 13.011 36.266 ( -0.324 0.494 -0.224) 0.632 36.423 ( -3.572 -2.479 -0.232) 4.354 39.028 ( -1.210 2.513 3.184) 4.233 39.475 ( 0.318 5.339 -3.490) 6.386 39.696 ( -13.063 -9.980 -3.707) 16.852 40.083 ( -9.167 2.446 -7.806) 12.286 42.698 ( -2.004 0.217 2.931) 3.557 42.911 ( 1.177 -4.222 -2.086) 4.854 43.236 ( 12.789 5.219 4.736) 14.603 43.485 ( 0.797 2.077 5.054) 5.522 84.900 ( -15.666 1.178 -9.456) 18.336 85.241 ( -6.097 1.432 -0.126) 6.264 85.326 ( 1.649 -2.452 -0.272) 2.967 85.827 ( -7.852 -2.292 6.886) 10.692 ======================= Grid point 135 (69/116) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -0.909 6.043 7.312) 9.530 0.817 ( 6.114 5.288 4.212) 9.115 0.984 ( 8.157 3.570 5.383) 10.404 1.132 ( -0.812 -6.638 2.259) 7.058 1.255 ( 0.411 -8.542 -1.282) 8.648 1.434 ( -3.360 16.587 -3.165) 17.217 1.488 ( 3.186 -8.076 3.771) 9.466 1.591 ( 1.419 11.967 0.218) 12.053 1.678 ( -2.305 -0.556 -0.814) 2.507 1.773 ( -1.587 10.591 0.995) 10.756 2.253 ( 1.486 10.979 -0.722) 11.103 2.368 ( -5.221 -1.821 3.946) 6.793 2.426 ( 0.687 6.674 -4.459) 8.056 2.570 ( -0.495 0.551 -3.046) 3.135 2.897 ( 2.981 1.612 -1.664) 3.776 2.941 ( -3.947 5.070 -1.414) 6.579 3.112 ( -0.993 -10.240 1.748) 10.435 3.208 ( -2.329 -16.360 -0.280) 16.527 3.334 ( 1.149 -5.359 2.357) 5.966 3.417 ( 1.743 -2.188 0.889) 2.935 3.442 ( -0.195 -6.461 0.724) 6.505 3.605 ( -1.671 -1.187 -1.752) 2.696 3.780 ( 2.276 -2.564 -0.754) 3.510 3.839 ( 7.169 -6.899 2.088) 10.166 4.038 ( 0.555 3.133 1.313) 3.442 4.121 ( -0.022 1.658 -1.311) 2.114 4.268 ( -0.278 -2.726 0.101) 2.742 4.324 ( -0.017 -2.281 -1.975) 3.017 4.667 ( 3.261 0.322 2.011) 3.845 4.740 ( -1.056 -1.419 2.100) 2.746 4.756 ( -1.434 3.078 -0.182) 3.400 4.862 ( 1.737 -0.499 -1.776) 2.533 5.171 ( 0.115 -2.147 2.069) 2.984 5.276 ( 0.074 -3.920 -0.756) 3.993 5.618 ( 2.122 1.506 2.478) 3.593 5.655 ( -2.786 -0.124 2.054) 3.464 6.547 ( 2.976 14.204 5.947) 15.684 7.002 ( -5.070 10.059 -6.692) 13.102 7.572 ( 2.705 -15.066 3.808) 15.774 7.780 ( 0.748 -11.180 -2.429) 11.465 11.777 ( -0.101 15.338 0.935) 15.366 11.860 ( -0.646 15.395 -1.353) 15.468 12.949 ( 1.383 -20.291 2.225) 20.460 13.051 ( -2.013 -20.611 0.013) 20.709 15.261 ( -0.617 25.486 1.431) 25.533 15.410 ( 0.562 26.511 -2.956) 26.681 16.641 ( -0.045 -15.855 0.577) 15.866 16.815 ( -1.168 -12.803 -7.090) 14.681 20.694 ( 0.231 0.164 -0.418) 0.505 20.700 ( -0.554 -0.115 -0.516) 0.765 20.739 ( -0.248 0.177 0.052) 0.309 20.751 ( -0.360 -0.033 -0.332) 0.491 21.536 ( -0.263 -0.859 -0.310) 0.950 21.552 ( 0.212 -1.211 -0.616) 1.375 21.652 ( 0.907 0.938 0.277) 1.333 21.665 ( -0.471 0.576 -0.108) 0.752 23.280 ( -0.209 0.786 0.359) 0.889 23.305 ( 0.069 0.355 -0.453) 0.580 23.514 ( -0.147 -0.368 0.304) 0.500 23.537 ( 0.160 -0.916 -0.330) 0.987 28.151 ( 0.881 1.374 2.219) 2.755 28.306 ( -2.410 -3.049 -1.553) 4.186 28.426 ( -1.607 -1.573 0.578) 2.322 28.456 ( 0.775 -1.886 -0.303) 2.061 31.799 ( -0.980 -0.094 0.671) 1.192 31.806 ( -0.337 -0.177 0.412) 0.561 31.819 ( 1.344 0.112 0.621) 1.484 31.828 ( 0.543 -0.017 0.464) 0.714 35.693 ( 3.178 6.962 2.588) 8.079 35.968 ( -4.375 4.278 -6.723) 9.090 36.284 ( -0.922 -2.519 0.060) 2.683 36.309 ( 1.166 -2.082 -0.877) 2.543 39.136 ( 0.729 4.822 4.622) 6.718 39.430 ( 0.014 -0.511 -1.342) 1.436 39.624 ( 1.299 0.917 0.296) 1.617 39.893 ( -3.774 -2.667 -6.475) 7.955 42.711 ( -0.555 1.502 2.976) 3.380 42.875 ( 3.289 -3.259 -0.686) 4.681 43.464 ( 1.217 0.099 2.791) 3.046 43.572 ( 6.903 -4.092 -0.555) 8.044 85.054 ( 11.856 1.558 2.060) 12.134 85.156 ( -5.328 2.718 -2.074) 6.330 85.416 ( 13.479 -6.095 5.409) 15.751 85.600 ( -5.861 -7.014 -0.697) 9.167 ======================= Grid point 136 (70/116) ======================= q-point: ( 0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 4.086 4.772 6.227) 8.846 0.939 ( 6.332 2.456 -1.278) 6.911 1.175 ( 2.551 -7.517 2.204) 8.238 1.206 ( 6.456 7.260 3.366) 10.282 1.290 ( 3.350 -1.362 -0.648) 3.674 1.312 ( -0.992 3.359 -5.311) 6.362 1.565 ( -2.385 -5.610 -1.433) 6.262 1.588 ( 2.673 -5.235 1.540) 6.076 1.714 ( -2.051 16.164 -0.634) 16.306 1.741 ( 4.518 12.973 3.960) 14.296 2.244 ( -3.149 5.973 1.732) 6.970 2.285 ( -3.524 8.531 -2.977) 9.698 2.407 ( -0.144 2.669 1.725) 3.181 2.572 ( 1.805 3.629 -0.391) 4.072 2.862 ( -1.011 2.544 -1.847) 3.302 2.981 ( 4.492 0.454 -0.272) 4.523 3.129 ( 0.484 -11.195 2.758) 11.540 3.141 ( -3.660 -17.783 -0.941) 18.180 3.368 ( -0.127 -3.746 1.619) 4.082 3.445 ( -0.133 -5.400 1.768) 5.683 3.499 ( 1.442 -4.675 -0.795) 4.956 3.553 ( 2.351 -1.158 -1.156) 2.865 3.801 ( -0.211 -1.077 -0.091) 1.101 3.878 ( -0.689 -7.064 -3.850) 8.074 4.062 ( 0.240 3.977 0.160) 3.987 4.117 ( 0.856 1.107 -1.853) 2.322 4.268 ( 0.377 -2.877 -0.535) 2.951 4.328 ( 1.405 -1.302 -0.540) 1.990 4.613 ( -9.125 1.046 0.438) 9.196 4.696 ( -3.630 1.478 0.457) 3.946 4.727 ( -1.867 -0.473 0.797) 2.084 4.879 ( 0.245 -1.889 -1.903) 2.693 5.197 ( 1.747 -1.671 0.987) 2.611 5.341 ( 6.054 -5.647 -0.150) 8.281 5.633 ( 0.394 3.403 0.957) 3.557 5.732 ( 5.523 0.200 2.419) 6.033 6.687 ( 4.256 11.123 7.493) 14.071 6.830 ( -4.978 11.634 -6.208) 14.095 7.595 ( -3.938 -13.682 1.246) 14.292 7.738 ( -2.038 -12.797 -2.775) 13.252 11.771 ( -1.049 15.205 0.730) 15.259 11.847 ( 0.380 15.553 -0.597) 15.569 12.950 ( -3.331 -20.240 0.737) 20.526 13.044 ( 1.445 -20.079 1.002) 20.156 15.268 ( -0.122 25.503 1.619) 25.554 15.395 ( 0.680 25.648 -2.726) 25.802 16.647 ( -0.127 -15.448 0.872) 15.473 16.731 ( -1.664 -12.796 -3.807) 13.454 20.689 ( 0.006 -0.157 -0.352) 0.386 20.700 ( 0.609 0.018 -0.146) 0.627 20.737 ( -0.142 0.087 0.187) 0.250 20.746 ( 0.168 0.162 -0.023) 0.234 21.529 ( -0.177 -0.864 -0.169) 0.898 21.553 ( 0.473 -1.352 -0.578) 1.545 21.652 ( -0.584 0.945 -0.243) 1.137 21.672 ( 0.728 0.631 0.004) 0.964 23.278 ( -0.324 0.808 0.358) 0.942 23.300 ( -0.117 0.387 -0.321) 0.516 23.515 ( -0.067 -0.357 0.307) 0.476 23.538 ( 0.233 -0.903 -0.332) 0.990 28.195 ( 1.110 -0.053 2.839) 3.049 28.246 ( -2.088 -1.202 -1.942) 3.095 28.390 ( -2.363 -0.514 0.629) 2.499 28.468 ( 0.435 -2.362 0.063) 2.402 31.785 ( -0.803 0.161 0.689) 1.070 31.808 ( -0.233 -0.424 0.595) 0.767 31.833 ( 0.193 0.249 -0.072) 0.323 31.843 ( 0.409 -0.099 0.123) 0.439 35.769 ( 0.912 6.335 -0.302) 6.407 35.919 ( 5.649 4.460 -1.675) 7.390 36.278 ( 0.773 -2.654 -0.321) 2.783 36.354 ( 3.458 -2.598 -0.469) 4.351 39.189 ( 0.141 4.991 4.189) 6.518 39.445 ( 3.277 5.037 -3.866) 7.146 39.629 ( -1.874 -5.410 0.786) 5.779 39.858 ( 5.175 -3.622 -2.698) 6.869 42.736 ( 0.235 2.403 2.494) 3.471 42.919 ( 3.134 -1.961 -2.966) 4.739 43.428 ( -4.544 1.197 -0.168) 4.702 43.695 ( 5.425 -9.696 -2.284) 11.343 85.009 ( -4.817 3.815 -3.756) 7.201 85.247 ( 2.368 -2.899 0.421) 3.767 85.463 ( 2.398 -1.185 -2.873) 3.926 85.910 ( 24.956 -15.832 0.083) 29.554 ======================= Grid point 137 (71/116) ======================= q-point: ( 0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 4.209 4.883 2.532) 6.926 1.028 ( 4.574 5.908 -4.425) 8.684 1.145 ( -0.634 4.208 -6.378) 7.667 1.246 ( 2.564 -6.301 1.316) 6.929 1.381 ( 4.236 -7.902 0.575) 8.984 1.432 ( 5.888 15.798 5.238) 17.654 1.499 ( -1.595 -7.298 -1.102) 7.551 1.599 ( -2.798 18.576 -3.435) 19.098 1.689 ( 3.325 1.762 0.037) 3.763 1.893 ( 5.980 2.751 1.635) 6.782 2.140 ( -5.231 7.597 -2.554) 9.571 2.255 ( -0.648 3.393 3.284) 4.767 2.440 ( 0.299 4.811 2.336) 5.356 2.592 ( 0.269 4.977 -0.600) 5.020 2.849 ( 0.441 1.000 -1.532) 1.881 3.042 ( 0.572 -9.964 0.046) 9.980 3.081 ( -0.877 -14.018 0.606) 14.059 3.168 ( 1.236 -10.662 2.042) 10.926 3.356 ( -1.679 -3.573 -1.189) 4.123 3.416 ( -1.402 -4.687 -2.215) 5.370 3.490 ( -1.897 -4.179 2.043) 5.023 3.644 ( 4.382 -3.409 -0.179) 5.555 3.786 ( -0.208 -0.450 0.860) 0.993 3.810 ( -1.186 -4.906 -4.597) 6.827 4.063 ( 0.161 6.842 -0.079) 6.844 4.108 ( 0.474 1.199 -3.065) 3.325 4.271 ( 0.167 1.303 -0.067) 1.316 4.350 ( 0.362 -1.476 1.231) 1.955 4.464 ( -5.458 -1.040 -0.184) 5.560 4.604 ( -4.489 2.094 -0.686) 5.001 4.677 ( -4.951 -2.507 2.543) 6.105 4.831 ( -2.940 -3.944 -1.920) 5.281 5.273 ( 5.249 0.514 0.227) 5.279 5.441 ( 4.604 -3.474 -1.259) 5.903 5.678 ( 3.189 4.957 0.546) 5.919 5.849 ( 4.427 -0.742 1.381) 4.696 6.650 ( -4.066 10.921 -4.802) 12.604 6.894 ( 5.375 8.174 6.545) 11.770 7.464 ( -8.363 -11.173 -1.021) 13.993 7.666 ( -3.035 -11.880 -1.892) 12.406 11.766 ( -0.032 13.286 0.427) 13.293 11.849 ( -0.012 16.473 -0.079) 16.473 12.884 ( -3.225 -20.217 0.004) 20.472 13.077 ( 0.464 -19.844 0.925) 19.871 15.283 ( 0.023 25.379 1.771) 25.440 15.387 ( 0.886 24.904 -2.122) 25.010 16.648 ( -0.437 -14.889 0.637) 14.909 16.690 ( -0.508 -13.630 -1.039) 13.678 20.691 ( 0.327 -0.266 -0.289) 0.511 20.711 ( 0.299 -0.480 0.083) 0.572 20.740 ( 0.358 0.551 0.168) 0.678 20.754 ( 0.358 0.328 0.297) 0.569 21.528 ( 0.232 -0.501 0.037) 0.553 21.560 ( 0.686 -1.206 -0.133) 1.394 21.639 ( -0.541 1.010 -0.144) 1.155 21.681 ( 0.294 0.261 0.068) 0.399 23.275 ( -0.334 0.779 0.337) 0.912 23.295 ( -0.159 0.352 -0.215) 0.442 23.517 ( -0.051 -0.327 0.290) 0.440 23.539 ( 0.245 -0.882 -0.340) 0.976 28.195 ( -1.156 0.519 -1.576) 2.022 28.240 ( 0.600 -1.337 2.913) 3.261 28.351 ( -2.357 -0.284 0.603) 2.450 28.473 ( -0.206 -2.885 0.330) 2.911 31.783 ( -0.212 0.153 0.532) 0.593 31.801 ( -0.713 0.090 -0.150) 0.734 31.831 ( -0.402 -0.208 -0.417) 0.616 31.843 ( -0.015 0.019 -0.186) 0.188 35.789 ( 3.147 6.392 -0.941) 7.187 36.058 ( 6.875 0.100 1.635) 7.068 36.290 ( 0.693 0.023 -0.974) 1.196 36.423 ( 3.772 -3.527 0.110) 5.165 39.223 ( 1.156 4.756 1.418) 5.095 39.449 ( -1.498 7.922 -0.507) 8.078 39.643 ( 4.856 -6.146 -0.670) 7.861 39.968 ( 5.224 -5.350 1.641) 7.655 42.761 ( 0.337 2.528 1.701) 3.066 42.942 ( 2.644 -1.632 -3.884) 4.974 43.327 ( -4.114 2.826 -2.265) 5.481 43.725 ( 1.382 -10.566 -4.631) 11.619 84.935 ( 0.627 4.153 -1.434) 4.438 85.207 ( -2.389 -3.771 -0.497) 4.492 85.588 ( 9.614 2.439 -3.202) 10.423 86.276 ( 15.904 -18.188 -6.118) 24.924 ======================= Grid point 138 (72/116) ======================= q-point: ( 0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -1.245 4.861 -2.489) 5.601 1.011 ( 2.054 5.034 -7.863) 9.559 1.158 ( 4.229 3.217 -2.457) 5.854 1.316 ( 2.668 -3.330 3.547) 5.549 1.432 ( 0.037 -4.865 -0.407) 4.882 1.489 ( 1.914 2.375 -0.582) 3.105 1.523 ( -0.549 12.649 1.430) 12.741 1.546 ( -0.468 21.037 1.003) 21.067 1.759 ( 4.777 1.837 -2.461) 5.679 1.974 ( 2.635 -3.613 -1.797) 4.819 2.057 ( -1.740 7.584 -0.710) 7.813 2.285 ( -0.853 1.429 5.046) 5.314 2.407 ( -4.449 6.650 -2.315) 8.329 2.592 ( 0.591 3.028 0.282) 3.098 2.815 ( -1.971 0.798 -2.895) 3.592 3.028 ( -0.688 -18.951 1.082) 18.994 3.106 ( 0.974 -8.864 1.066) 8.981 3.194 ( -0.834 -10.897 -0.969) 10.972 3.333 ( 1.660 -2.676 -0.089) 3.150 3.365 ( -0.880 -3.612 -0.935) 3.833 3.459 ( -2.036 -4.445 0.088) 4.890 3.699 ( 0.662 -1.804 0.319) 1.948 3.788 ( 3.200 -4.728 -2.035) 6.061 3.812 ( 0.068 -2.550 1.623) 3.024 4.048 ( -1.329 6.122 -1.149) 6.369 4.091 ( 0.626 3.541 -1.845) 4.042 4.290 ( 0.641 6.209 3.459) 7.136 4.368 ( 0.949 -6.062 0.699) 6.176 4.413 ( -0.666 -1.152 -0.325) 1.370 4.539 ( -1.615 0.982 -0.246) 1.906 4.608 ( -4.435 -3.099 2.552) 5.982 4.755 ( -2.733 -5.085 -1.782) 6.042 5.377 ( 4.974 3.077 0.175) 5.851 5.492 ( 2.252 -0.001 -1.461) 2.684 5.746 ( 3.127 3.666 0.661) 4.863 5.910 ( 1.056 -1.547 0.033) 1.873 6.570 ( -0.101 10.608 -2.851) 10.984 6.963 ( -3.387 5.974 -1.461) 7.021 7.347 ( -2.523 -8.978 3.580) 9.989 7.605 ( -1.513 -11.045 -1.327) 11.227 11.774 ( 0.505 12.454 0.381) 12.470 11.845 ( -0.310 16.221 -0.215) 16.225 12.843 ( -1.302 -20.002 0.826) 20.061 13.070 ( -1.275 -19.673 -0.708) 19.727 15.297 ( -0.353 25.207 1.763) 25.271 15.390 ( 1.169 24.569 -1.579) 24.647 16.647 ( -0.206 -14.670 0.582) 14.683 16.681 ( -0.063 -13.882 -0.104) 13.883 20.693 ( 0.212 -0.237 -0.405) 0.515 20.708 ( -0.430 -0.441 -0.165) 0.638 20.752 ( 0.598 0.632 0.195) 0.892 20.762 ( 0.167 0.442 0.307) 0.563 21.538 ( 0.611 -0.021 0.383) 0.721 21.577 ( 0.751 -0.967 0.454) 1.305 21.632 ( -0.117 0.873 0.341) 0.944 21.688 ( 0.220 -0.268 0.281) 0.446 23.272 ( -0.256 0.737 0.321) 0.844 23.291 ( -0.080 0.324 -0.182) 0.380 23.518 ( -0.096 -0.293 0.264) 0.406 23.540 ( 0.201 -0.858 -0.356) 0.951 28.177 ( 0.315 1.383 -0.518) 1.510 28.264 ( -0.889 -1.100 1.807) 2.295 28.319 ( -1.363 -1.003 1.074) 2.004 28.466 ( -0.599 -3.152 0.031) 3.208 31.775 ( -0.511 -0.155 -0.842) 0.997 31.783 ( -1.084 -0.157 -0.570) 1.235 31.819 ( -0.006 0.395 -0.175) 0.432 31.842 ( -0.110 0.031 -0.130) 0.173 35.863 ( 3.903 5.185 1.366) 6.632 36.166 ( 2.311 -1.763 -0.716) 2.994 36.301 ( 2.024 0.902 1.049) 2.451 36.482 ( 1.841 -3.597 0.097) 4.042 39.272 ( 3.090 4.909 0.589) 5.831 39.395 ( -3.524 5.997 0.288) 6.962 39.779 ( 7.081 -3.828 3.123) 8.634 40.057 ( 1.832 -6.178 2.611) 6.953 42.779 ( 0.053 2.241 1.500) 2.697 42.952 ( 2.572 -1.730 -4.001) 5.062 43.257 ( -0.860 3.727 -2.135) 4.380 43.676 ( -0.754 -9.954 -6.900) 12.135 85.019 ( 5.774 2.198 5.319) 8.152 85.199 ( 0.946 -2.694 1.947) 3.456 85.697 ( 5.280 3.010 -5.253) 8.033 86.411 ( 6.870 -17.553 -10.417) 21.537 ======================= Grid point 139 (73/116) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -6.160 4.142 -4.203) 8.531 0.974 ( 1.342 0.757 -8.732) 8.867 1.222 ( 2.317 2.138 1.679) 3.572 1.379 ( -0.400 1.789 0.190) 1.843 1.413 ( 0.785 8.556 -0.271) 8.596 1.486 ( -4.022 11.854 0.075) 12.518 1.547 ( 4.170 12.455 1.294) 13.198 1.583 ( 2.199 -0.697 4.082) 4.689 1.784 ( -0.743 3.375 -2.917) 4.523 1.924 ( -4.878 -1.586 -5.676) 7.650 2.065 ( 1.746 5.426 1.242) 5.833 2.272 ( -3.766 8.864 -5.122) 10.908 2.308 ( -1.859 -0.518 5.237) 5.581 2.611 ( 1.727 -2.493 -1.153) 3.245 2.768 ( -0.350 4.437 0.205) 4.455 3.029 ( -0.428 -15.827 -1.811) 15.936 3.110 ( -0.714 -2.407 -1.770) 3.072 3.158 ( -0.420 -13.689 1.329) 13.760 3.361 ( 2.337 -5.839 0.125) 6.291 3.364 ( -0.868 -7.966 -1.056) 8.082 3.498 ( 4.079 0.172 4.039) 5.743 3.666 ( -2.817 -1.901 -1.122) 3.579 3.789 ( -3.343 -3.948 0.683) 5.218 3.868 ( 4.951 -3.296 -1.188) 6.065 4.033 ( 0.942 4.671 -0.383) 4.780 4.096 ( 1.813 4.008 -1.756) 4.737 4.355 ( 2.083 -0.273 4.067) 4.578 4.394 ( -0.830 -1.699 0.738) 2.030 4.408 ( 1.843 -0.782 0.535) 2.072 4.524 ( -0.547 -1.686 -0.428) 1.824 4.564 ( -2.502 -3.267 2.124) 4.631 4.718 ( 1.080 -5.090 -1.592) 5.441 5.443 ( 0.874 4.446 0.707) 4.586 5.501 ( -0.135 2.620 -1.221) 2.893 5.802 ( 1.643 0.363 1.341) 2.151 5.882 ( -3.228 -1.444 -1.210) 3.738 6.608 ( 5.333 9.867 0.010) 11.216 6.773 ( -9.817 7.283 -5.849) 13.551 7.411 ( 2.826 -8.652 4.616) 10.205 7.589 ( 1.079 -11.003 -1.382) 11.142 11.790 ( 0.324 12.308 0.671) 12.331 11.833 ( -0.304 15.574 -0.642) 15.590 12.854 ( 0.878 -19.588 2.197) 19.731 13.023 ( -1.910 -19.601 -2.234) 19.820 15.301 ( -0.934 25.170 1.565) 25.236 15.402 ( 1.510 24.699 -1.303) 24.779 16.650 ( -0.265 -14.853 0.693) 14.871 16.688 ( 1.145 -13.333 -0.179) 13.383 20.692 ( 0.110 -0.115 -0.405) 0.435 20.698 ( -0.276 -0.138 -0.348) 0.465 20.758 ( -0.283 0.598 0.287) 0.722 20.768 ( 0.232 0.222 0.116) 0.341 21.556 ( 0.523 0.357 0.721) 0.959 21.587 ( 0.014 -0.034 0.024) 0.044 21.645 ( 0.708 0.010 1.159) 1.358 21.693 ( 0.011 -0.731 0.115) 0.740 23.272 ( -0.131 0.711 0.319) 0.791 23.289 ( 0.107 0.323 -0.185) 0.388 23.518 ( -0.159 -0.280 0.257) 0.412 23.540 ( 0.152 -0.845 -0.363) 0.932 28.191 ( 0.280 0.678 0.611) 0.955 28.243 ( -0.574 1.724 -0.275) 1.838 28.327 ( -0.023 -3.006 2.525) 3.926 28.454 ( -0.265 -3.188 -0.618) 3.258 31.751 ( -1.218 -0.267 -0.803) 1.483 31.760 ( -0.017 -0.326 -0.986) 1.039 31.825 ( 0.448 0.382 0.017) 0.589 31.836 ( -0.273 0.234 -0.312) 0.476 35.943 ( 1.946 4.624 2.986) 5.838 36.129 ( -2.672 -0.275 -2.665) 3.784 36.389 ( 3.474 -1.664 2.576) 4.634 36.485 ( -1.087 -3.330 -0.762) 3.585 39.299 ( -4.162 6.614 1.540) 7.965 39.374 ( 4.111 3.752 -0.629) 5.601 39.918 ( 1.721 -3.527 5.566) 6.811 40.098 ( 1.555 -7.748 1.748) 8.094 42.786 ( -1.017 2.064 1.611) 2.809 42.974 ( 3.347 -1.952 -3.557) 5.259 43.251 ( 1.159 2.828 -0.318) 3.073 43.572 ( -2.258 -8.414 -9.399) 12.815 85.190 ( 3.577 -0.139 7.457) 8.272 85.284 ( 3.829 -2.890 7.176) 8.632 85.687 ( -0.402 2.804 -5.738) 6.399 86.354 ( -0.612 -17.913 -15.393) 23.626 ======================= Grid point 140 (74/116) ======================= q-point: (-0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -6.824 4.590 -0.985) 8.283 0.915 ( 0.469 -0.542 -6.576) 6.615 1.229 ( -5.655 13.339 -1.166) 14.535 1.304 ( -4.889 -1.026 2.185) 5.453 1.380 ( -3.058 -4.021 -3.481) 6.135 1.488 ( 3.843 15.102 1.114) 15.623 1.580 ( -3.707 3.773 -0.001) 5.289 1.682 ( -4.732 3.001 -1.848) 5.900 1.710 ( 3.475 -0.982 4.212) 5.548 1.746 ( -5.279 7.037 -3.641) 9.521 2.109 ( 2.033 6.290 0.557) 6.634 2.230 ( 2.855 7.757 -1.263) 8.362 2.329 ( -0.652 0.685 4.848) 4.940 2.644 ( 3.614 -4.455 -3.202) 6.569 2.807 ( 1.831 5.536 4.177) 7.173 2.931 ( -4.217 -2.935 -6.013) 7.909 3.122 ( 1.268 -11.455 1.779) 11.661 3.178 ( 0.481 -11.036 1.286) 11.122 3.321 ( -0.954 -8.230 -1.182) 8.369 3.453 ( 4.223 -7.328 -0.262) 8.462 3.558 ( -1.608 -2.393 0.386) 2.909 3.625 ( 0.695 -2.065 1.164) 2.470 3.717 ( -4.179 -3.832 -0.350) 5.681 3.926 ( 2.971 0.269 -1.863) 3.517 4.037 ( -0.644 0.351 -1.715) 1.865 4.152 ( 5.329 5.327 -1.387) 7.662 4.363 ( -1.104 -2.563 0.885) 2.927 4.411 ( -1.541 -1.293 0.467) 2.065 4.469 ( 2.010 -2.648 -1.050) 3.487 4.513 ( 1.285 -0.819 2.785) 3.174 4.560 ( 1.292 -3.532 1.384) 4.008 4.758 ( 3.967 -4.550 -1.726) 6.278 5.419 ( -3.628 2.862 1.115) 4.754 5.443 ( -4.996 2.512 -2.049) 5.955 5.776 ( -4.864 -0.014 -0.680) 4.911 5.833 ( -1.751 -1.710 1.502) 2.872 6.539 ( -7.271 11.192 -3.521) 13.803 6.781 ( 9.562 9.067 2.181) 13.357 7.488 ( 1.675 -11.202 1.768) 11.463 7.619 ( 3.682 -10.186 -2.084) 11.030 11.782 ( -1.274 13.598 0.177) 13.659 11.838 ( 1.042 14.514 -0.183) 14.552 12.903 ( 1.060 -19.480 2.487) 19.666 12.975 ( -0.193 -19.706 -1.805) 19.789 15.292 ( -1.274 25.221 1.348) 25.289 15.421 ( 1.632 25.221 -1.418) 25.314 16.648 ( -0.411 -15.343 0.399) 15.354 16.728 ( 3.396 -12.273 -0.388) 12.740 20.690 ( 0.098 0.045 -0.185) 0.214 20.697 ( 0.429 -0.080 -0.207) 0.483 20.751 ( -0.623 0.591 0.300) 0.910 20.770 ( -0.080 0.035 0.056) 0.103 21.561 ( -0.528 0.441 0.288) 0.746 21.588 ( 0.269 0.169 -0.028) 0.319 21.668 ( 0.402 -0.328 1.057) 1.177 21.687 ( -0.432 -0.822 -0.538) 1.073 23.273 ( -0.016 0.702 0.325) 0.773 23.292 ( 0.336 0.344 -0.199) 0.520 23.517 ( -0.198 -0.298 0.279) 0.454 23.539 ( 0.120 -0.855 -0.352) 0.933 28.168 ( -2.150 1.415 0.072) 2.574 28.278 ( 3.237 1.357 0.303) 3.523 28.354 ( 0.200 -3.939 2.929) 4.913 28.448 ( 0.471 -3.091 -1.031) 3.292 31.731 ( -0.281 -0.085 -0.202) 0.356 31.760 ( 0.675 -0.564 -0.366) 0.953 31.826 ( -0.236 0.384 -0.312) 0.548 31.833 ( 0.159 0.211 -0.127) 0.293 35.951 ( -4.463 3.222 1.028) 5.600 36.085 ( 0.949 0.127 -0.050) 0.959 36.398 ( -3.647 -2.238 -0.574) 4.317 36.477 ( 0.673 -2.696 0.493) 2.823 39.213 ( -5.262 6.057 0.999) 8.086 39.465 ( 5.065 3.307 -0.407) 6.063 39.905 ( -6.540 -4.870 3.049) 8.705 40.171 ( 3.211 -8.629 1.510) 9.330 42.767 ( -2.458 1.691 1.505) 3.342 42.997 ( 2.020 -3.584 -4.587) 6.161 43.267 ( -0.895 1.484 0.216) 1.747 43.443 ( -0.631 -3.705 -8.482) 9.278 85.275 ( -0.095 0.300 4.809) 4.819 85.380 ( -1.908 -4.046 2.251) 5.007 85.641 ( -1.350 -0.313 3.552) 3.812 86.087 ( -10.136 -17.428 -20.877) 29.023 ======================= Grid point 141 (75/116) ======================= q-point: (-0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -4.115 6.942 4.542) 9.260 0.868 ( -2.067 2.273 -3.815) 4.899 0.978 ( -12.801 8.590 -2.306) 15.587 1.254 ( -4.849 -2.893 2.419) 6.143 1.332 ( -1.083 -4.551 -0.017) 4.679 1.433 ( -5.901 1.968 -2.722) 6.790 1.553 ( -2.327 4.454 -0.425) 5.043 1.597 ( 2.191 17.676 0.940) 17.836 1.684 ( -1.209 7.141 -0.717) 7.278 1.792 ( -0.503 -2.538 3.833) 4.624 2.173 ( 4.562 9.732 -2.266) 10.985 2.314 ( 4.934 7.139 1.924) 8.889 2.376 ( -0.434 -1.991 7.014) 7.304 2.656 ( 1.291 -2.118 -5.715) 6.230 2.836 ( -0.094 -0.073 -3.277) 3.279 2.912 ( 4.233 1.336 6.779) 8.103 3.163 ( 1.059 -11.924 0.384) 11.977 3.192 ( 0.345 -9.880 1.499) 9.999 3.308 ( 0.248 -7.595 -0.277) 7.604 3.408 ( -4.421 -5.088 -2.845) 7.316 3.585 ( -2.666 -5.078 0.180) 5.738 3.618 ( 1.688 -6.185 -0.894) 6.473 3.664 ( -0.716 -0.124 -0.209) 0.756 3.930 ( -3.345 -7.042 -4.791) 9.150 3.989 ( 0.478 6.277 -0.583) 6.322 4.205 ( 0.428 4.873 -1.908) 5.250 4.336 ( -3.301 -1.688 -0.614) 3.758 4.393 ( -0.001 -1.328 -0.508) 1.422 4.450 ( 2.132 -2.668 -0.281) 3.426 4.598 ( 4.491 1.195 -0.738) 4.706 4.645 ( 3.614 -3.343 3.711) 6.165 4.816 ( 3.663 -3.644 -1.766) 5.460 5.294 ( -7.569 1.147 -0.905) 7.709 5.358 ( -3.421 -0.100 0.865) 3.530 5.681 ( -4.682 2.065 -0.217) 5.121 5.777 ( -5.411 -1.708 2.647) 6.261 6.445 ( -1.389 14.053 0.356) 14.126 6.984 ( 8.348 7.782 2.271) 11.636 7.503 ( -0.405 -13.365 -0.468) 13.380 7.681 ( 4.820 -8.933 -2.476) 10.449 11.765 ( -0.513 14.789 0.258) 14.800 11.857 ( 1.033 14.584 -0.057) 14.621 12.904 ( -0.456 -20.069 -0.612) 20.084 13.015 ( 2.411 -19.971 2.488) 20.270 15.279 ( -1.357 25.285 1.231) 25.351 15.432 ( 1.143 25.962 -2.033) 26.066 16.643 ( -0.362 -15.766 0.230) 15.772 16.805 ( 5.582 -12.007 -2.305) 13.440 20.693 ( 0.295 0.082 -0.230) 0.383 20.709 ( 0.757 -0.272 0.202) 0.829 20.742 ( -0.522 0.704 0.223) 0.904 20.767 ( -0.291 0.027 0.013) 0.292 21.550 ( -0.449 0.140 -0.233) 0.525 21.586 ( -0.634 -0.589 -0.255) 0.902 21.665 ( -0.881 -0.131 -1.039) 1.368 21.679 ( -0.199 -0.169 0.491) 0.556 23.276 ( 0.023 0.703 0.330) 0.777 23.298 ( 0.509 0.343 -0.255) 0.665 23.516 ( -0.204 -0.338 0.308) 0.501 23.538 ( 0.106 -0.885 -0.334) 0.952 28.134 ( -1.364 2.319 0.326) 2.710 28.344 ( 3.009 -0.391 0.135) 3.037 28.380 ( -0.083 -4.516 2.076) 4.972 28.454 ( 0.845 -3.002 -0.400) 3.144 31.740 ( 0.951 0.062 0.653) 1.155 31.778 ( 1.107 -0.588 0.396) 1.314 31.819 ( -0.267 0.425 -0.309) 0.590 31.831 ( -0.299 0.081 0.042) 0.313 35.826 ( -7.460 2.484 -1.094) 7.939 36.124 ( 1.315 -1.242 0.653) 1.923 36.316 ( -3.104 -0.403 -1.179) 3.345 36.459 ( -2.833 -2.507 -0.663) 3.841 39.134 ( -3.852 5.410 1.393) 6.786 39.542 ( 3.369 0.829 -1.013) 3.615 39.755 ( -9.990 -4.166 -0.591) 10.840 40.189 ( -1.993 -8.085 -2.200) 8.613 42.729 ( -2.812 1.039 1.819) 3.506 42.920 ( -4.434 -5.335 -5.832) 9.063 43.241 ( 2.058 5.313 -1.926) 6.014 43.443 ( 2.997 -0.486 -0.109) 3.038 85.229 ( -7.615 -2.252 -3.724) 8.771 85.313 ( -3.055 -2.060 -0.257) 3.694 85.517 ( -16.222 -4.487 -10.249) 19.706 85.770 ( -4.300 -7.951 2.220) 9.308 ======================= Grid point 142 (76/116) ======================= q-point: (-0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 1.465 7.304 10.355) 12.756 0.711 ( -6.441 10.993 2.616) 13.006 0.886 ( 0.257 1.510 0.408) 1.585 1.172 ( -5.247 -3.081 2.447) 6.558 1.289 ( -2.370 -8.862 -0.986) 9.226 1.400 ( 1.527 2.128 2.648) 3.725 1.490 ( -2.525 11.666 0.427) 11.943 1.628 ( -1.728 12.012 -3.380) 12.598 1.683 ( 2.318 2.105 1.013) 3.291 1.789 ( -2.028 2.243 2.060) 3.659 2.219 ( 3.145 10.519 -2.374) 11.232 2.392 ( -0.332 3.690 2.785) 4.635 2.427 ( 0.890 -0.704 2.088) 2.376 2.616 ( 0.515 -1.507 -5.543) 5.767 2.849 ( 3.093 1.719 -1.911) 4.022 3.042 ( -0.604 -1.665 3.564) 3.980 3.126 ( -2.422 -10.491 -1.385) 10.855 3.231 ( 0.159 -14.881 0.485) 14.890 3.315 ( -0.814 -4.368 -1.582) 4.717 3.367 ( 4.583 -4.356 2.160) 6.681 3.487 ( -4.856 -3.920 0.683) 6.278 3.601 ( -2.113 -0.774 -0.755) 2.373 3.680 ( 2.347 -0.732 2.406) 3.440 3.804 ( -2.064 -4.721 -3.087) 6.006 4.019 ( 1.066 3.311 0.742) 3.556 4.156 ( -2.258 3.453 -1.743) 4.479 4.283 ( -1.325 -2.139 -0.408) 2.549 4.357 ( -1.348 -2.537 -1.701) 3.338 4.560 ( 6.092 1.092 1.263) 6.317 4.681 ( 4.678 1.201 -0.282) 4.838 4.724 ( 1.671 -1.611 3.217) 3.967 4.860 ( 1.913 -1.674 -1.382) 2.893 5.184 ( -3.612 -0.475 0.963) 3.768 5.310 ( -2.319 -2.302 0.104) 3.270 5.607 ( -2.810 2.367 1.071) 3.827 5.706 ( -4.808 -1.342 3.291) 5.979 6.466 ( 1.337 14.658 3.123) 15.047 7.089 ( 1.525 8.580 -2.213) 8.991 7.498 ( 0.843 -14.365 1.468) 14.465 7.749 ( 4.237 -9.235 -2.051) 10.365 11.767 ( 0.198 14.782 0.504) 14.792 11.872 ( 0.566 15.371 -0.563) 15.391 12.908 ( 1.020 -20.355 0.655) 20.391 13.065 ( 0.180 -20.744 1.825) 20.824 15.266 ( -1.179 25.386 1.254) 25.445 15.426 ( 0.581 26.663 -2.694) 26.805 16.639 ( -0.229 -15.968 0.291) 15.972 16.862 ( 3.659 -13.064 -6.473) 15.032 20.695 ( 0.197 0.134 -0.414) 0.478 20.714 ( -0.379 -0.362 -0.198) 0.560 20.741 ( 0.126 0.470 0.113) 0.499 20.760 ( -0.324 -0.012 -0.161) 0.362 21.543 ( -0.081 -0.465 -0.417) 0.630 21.563 ( -0.922 -0.971 -0.644) 1.486 21.644 ( -0.332 0.844 -0.276) 0.947 21.674 ( -0.469 0.145 0.112) 0.503 23.279 ( -0.055 0.732 0.340) 0.809 23.304 ( 0.412 0.302 -0.408) 0.654 23.515 ( -0.201 -0.370 0.305) 0.519 23.537 ( 0.110 -0.913 -0.329) 0.976 28.127 ( -0.119 2.311 1.214) 2.613 28.356 ( -1.377 -4.187 -0.723) 4.467 28.411 ( 1.851 -1.500 0.644) 2.468 28.462 ( -0.342 -3.102 0.124) 3.123 31.775 ( 1.700 0.057 1.221) 2.094 31.804 ( 0.912 -0.261 0.667) 1.160 31.810 ( -0.477 0.134 0.045) 0.497 31.823 ( -0.600 0.007 0.116) 0.611 35.692 ( -4.639 5.651 -0.057) 7.311 36.102 ( -2.827 -1.807 -3.704) 4.998 36.281 ( -0.018 0.984 -0.369) 1.051 36.369 ( -4.638 -2.478 -1.608) 5.499 39.103 ( -1.243 4.897 2.730) 5.742 39.514 ( -7.648 -8.009 -0.055) 11.074 39.610 ( 0.632 7.448 -2.932) 8.030 40.059 ( -6.550 -4.268 -5.705) 9.678 42.707 ( -1.714 0.734 2.740) 3.314 42.833 ( -0.150 -3.538 -0.210) 3.547 43.329 ( 7.351 4.241 0.647) 8.511 43.503 ( 2.153 -0.539 1.433) 2.642 84.955 ( -7.015 4.149 -4.334) 9.231 85.250 ( -0.790 -3.571 -1.410) 3.920 85.293 ( -4.736 2.588 1.316) 5.555 85.723 ( -6.744 -7.723 4.583) 11.231 ======================= Grid point 143 (77/116) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -0.113 8.661 3.932) 9.512 0.889 ( 0.756 2.622 1.080) 2.934 0.978 ( 3.088 -6.296 1.626) 7.198 1.015 ( 0.971 -6.358 0.602) 6.460 1.160 ( 5.014 4.647 6.487) 9.424 1.310 ( 4.686 -8.623 5.439) 11.220 1.557 ( -4.816 0.725 -5.389) 7.264 1.579 ( -3.614 -2.171 -3.563) 5.520 2.024 ( 2.235 19.528 2.100) 19.767 2.135 ( -0.475 16.861 -0.989) 16.896 2.332 ( -0.166 0.138 2.954) 2.962 2.434 ( 0.900 2.404 -2.331) 3.468 2.501 ( -3.080 5.445 0.089) 6.256 2.599 ( 2.596 1.903 -4.366) 5.424 2.761 ( 1.431 -15.550 0.660) 15.630 2.797 ( -4.214 -18.639 1.391) 19.160 2.992 ( 1.192 2.946 1.121) 3.370 3.052 ( -0.599 -0.883 0.467) 1.164 3.281 ( 0.006 1.585 0.661) 1.717 3.347 ( 1.415 -3.280 -0.049) 3.573 3.420 ( -0.994 2.209 0.310) 2.442 3.527 ( -2.163 -6.743 -2.231) 7.424 3.729 ( 2.611 -0.705 2.066) 3.404 3.749 ( 3.192 -2.367 2.534) 4.713 4.122 ( 1.383 4.174 -0.554) 4.431 4.169 ( -0.862 2.234 -1.500) 2.826 4.210 ( -0.117 -1.906 -0.246) 1.925 4.263 ( -0.037 -3.788 -1.990) 4.279 4.681 ( 1.603 1.065 2.535) 3.183 4.708 ( -0.427 -1.537 2.799) 3.222 4.817 ( 0.227 2.590 -0.499) 2.647 4.852 ( 0.921 -0.879 -1.079) 1.669 5.150 ( -0.288 0.488 0.317) 0.649 5.195 ( -0.783 -3.682 -0.822) 3.853 5.645 ( 0.816 1.005 2.608) 2.911 5.656 ( -1.027 -0.093 2.449) 2.657 6.872 ( 2.223 17.718 4.678) 18.459 7.200 ( -2.505 -3.932 -0.787) 4.728 7.279 ( 1.596 -0.459 -0.531) 1.744 7.526 ( -0.897 -13.853 -3.830) 14.400 12.126 ( 0.742 19.242 1.289) 19.299 12.213 ( -1.135 19.370 -1.061) 19.432 12.536 ( 1.365 -20.550 1.973) 20.689 12.630 ( -1.527 -21.171 -0.382) 21.229 15.779 ( -0.453 25.703 1.391) 25.744 15.952 ( 0.087 27.033 -3.985) 27.325 16.260 ( -0.206 -22.048 1.167) 22.080 16.454 ( -0.576 -22.509 -5.589) 23.200 20.697 ( -0.041 0.124 -0.353) 0.376 20.699 ( -0.275 -0.042 -0.395) 0.483 20.743 ( -0.323 0.218 -0.077) 0.398 20.748 ( -0.298 -0.215 -0.223) 0.430 21.526 ( -0.226 -0.076 -0.583) 0.630 21.532 ( -0.034 -0.683 -0.697) 0.977 21.666 ( 0.504 0.502 0.249) 0.754 21.671 ( -0.047 0.022 0.100) 0.113 23.296 ( -0.111 0.732 0.180) 0.762 23.306 ( -0.005 -0.225 -0.132) 0.261 23.511 ( -0.028 0.116 0.074) 0.140 23.520 ( 0.088 -0.718 -0.164) 0.742 28.188 ( -0.178 2.340 1.257) 2.662 28.243 ( -1.346 -3.096 0.065) 3.376 28.410 ( -0.270 -0.048 -0.181) 0.329 28.423 ( 0.469 -1.258 -0.384) 1.396 31.799 ( -0.847 0.076 0.735) 1.124 31.802 ( -0.632 -0.229 0.670) 0.949 31.823 ( 1.162 0.218 0.439) 1.261 31.827 ( 0.847 -0.146 0.405) 0.950 35.842 ( 1.455 7.554 1.978) 7.943 35.968 ( -0.848 -4.143 -1.113) 4.373 36.251 ( -1.617 0.204 -2.088) 2.649 36.276 ( 0.391 -1.686 -1.983) 2.632 39.247 ( 1.194 6.050 4.145) 7.430 39.365 ( 1.473 -5.262 2.912) 6.192 39.696 ( -1.910 5.462 -4.299) 7.208 39.809 ( -3.130 -5.375 -5.988) 8.634 42.751 ( 0.787 2.475 2.828) 3.840 42.809 ( 2.353 -3.229 1.807) 4.385 43.476 ( 1.875 1.116 0.206) 2.191 43.510 ( 2.227 -2.315 -0.913) 3.340 85.121 ( 7.324 4.624 2.085) 8.909 85.199 ( -0.317 -0.904 0.144) 0.969 85.336 ( 4.691 0.714 2.158) 5.213 85.445 ( -4.348 -7.810 -0.487) 8.952 ======================= Grid point 144 (78/116) ======================= q-point: ( 0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 4.242 7.528 4.385) 9.690 0.960 ( 5.357 0.081 1.579) 5.585 1.054 ( 4.588 -3.999 0.553) 6.111 1.086 ( 5.633 -8.499 -0.907) 10.236 1.378 ( 9.223 5.046 6.352) 12.283 1.390 ( -4.500 2.766 -6.265) 8.194 1.464 ( -3.868 -4.030 -4.438) 7.134 1.482 ( 6.665 -4.831 3.776) 9.056 2.075 ( 0.720 16.243 2.174) 16.404 2.108 ( -1.063 17.579 -1.722) 17.695 2.322 ( -3.759 3.955 2.510) 6.006 2.415 ( -4.656 2.852 -1.514) 5.666 2.450 ( 2.922 2.069 -1.160) 3.763 2.622 ( 2.443 -3.253 -4.019) 5.718 2.719 ( -3.701 -13.727 1.733) 14.322 2.797 ( 0.895 -13.568 2.182) 13.772 3.006 ( -2.953 3.872 -1.162) 5.006 3.035 ( 0.907 0.261 1.556) 1.820 3.300 ( 0.211 -1.526 2.151) 2.646 3.348 ( -0.671 -4.192 -1.331) 4.449 3.441 ( 1.283 -0.107 0.478) 1.373 3.501 ( 1.813 -4.284 -0.846) 4.728 3.769 ( -0.302 -0.745 0.519) 0.957 3.787 ( 0.334 -2.316 -0.973) 2.534 4.144 ( 1.179 2.509 -1.386) 3.100 4.164 ( 1.503 3.493 -1.029) 3.940 4.213 ( 0.854 -1.397 -0.490) 1.709 4.275 ( 2.392 -3.919 -0.933) 4.685 4.646 ( -7.618 1.959 1.677) 8.042 4.683 ( -4.320 -1.676 2.410) 5.223 4.765 ( -3.788 3.119 -0.912) 4.991 4.829 ( -2.438 -3.060 -1.538) 4.204 5.188 ( 4.239 1.048 0.186) 4.371 5.241 ( 5.690 -4.064 0.074) 6.993 5.692 ( 2.674 2.347 1.669) 3.930 5.724 ( 4.367 -0.966 2.162) 4.968 6.955 ( 0.701 14.954 5.126) 15.824 7.093 ( -3.844 12.485 -3.628) 13.558 7.307 ( -1.689 -12.936 1.731) 13.160 7.448 ( -2.443 -15.564 -3.802) 16.207 12.121 ( -2.270 19.335 0.331) 19.471 12.203 ( 1.037 19.463 0.055) 19.491 12.537 ( -3.014 -20.595 0.433) 20.819 12.627 ( 1.504 -21.199 0.787) 21.267 15.788 ( -0.144 25.826 1.691) 25.882 15.916 ( -0.149 25.702 -3.342) 25.919 16.270 ( -0.103 -21.994 1.548) 22.049 16.389 ( -1.141 -21.071 -4.031) 21.483 20.691 ( -0.076 0.270 -0.211) 0.351 20.697 ( 0.179 -0.313 -0.159) 0.394 20.741 ( 0.137 0.307 0.137) 0.363 20.746 ( 0.261 -0.164 0.045) 0.311 21.521 ( 0.143 0.054 -0.370) 0.400 21.530 ( 0.397 -0.869 -0.527) 1.091 21.668 ( -0.270 0.673 -0.109) 0.733 21.677 ( 0.278 -0.156 0.012) 0.319 23.294 ( -0.277 0.694 0.190) 0.770 23.303 ( -0.203 -0.159 -0.085) 0.272 23.512 ( 0.061 0.121 0.074) 0.155 23.521 ( 0.173 -0.708 -0.168) 0.748 28.200 ( 0.038 0.638 1.570) 1.695 28.220 ( -1.018 -1.265 -0.032) 1.624 28.393 ( -1.244 0.852 -0.141) 1.514 28.423 ( -0.187 -2.038 -0.274) 2.065 31.790 ( -0.607 0.352 0.793) 1.059 31.799 ( -0.338 -0.482 0.763) 0.964 31.838 ( 0.177 0.214 -0.100) 0.295 31.841 ( 0.388 -0.130 -0.007) 0.410 35.892 ( 1.473 5.536 0.662) 5.766 35.963 ( 2.105 -0.797 -0.633) 2.338 36.249 ( 2.526 0.447 -0.654) 2.647 36.293 ( 2.915 -3.221 -1.331) 4.543 39.308 ( 0.876 6.704 3.183) 7.473 39.442 ( 3.479 -5.857 1.437) 6.962 39.630 ( -1.043 5.784 -2.795) 6.508 39.758 ( 2.845 -6.172 -3.140) 7.487 42.795 ( 1.287 3.424 1.568) 3.980 42.865 ( 2.508 -3.354 -0.440) 4.211 43.463 ( -1.977 2.554 -1.113) 3.416 43.542 ( 1.407 -5.631 -1.153) 5.917 85.099 ( -4.537 4.926 -2.611) 7.188 85.189 ( -3.021 -3.679 -0.863) 4.838 85.479 ( 10.771 3.999 -0.157) 11.491 85.635 ( 17.411 -11.275 1.766) 20.818 ======================= Grid point 145 (79/116) ======================= q-point: ( 0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 4.827 7.573 1.593) 9.121 1.097 ( 7.045 1.554 0.031) 7.214 1.150 ( 4.666 -3.153 0.276) 5.638 1.166 ( 2.447 -6.222 -3.513) 7.552 1.261 ( -0.917 2.067 -3.146) 3.875 1.362 ( -1.833 -6.314 -2.689) 7.104 1.619 ( 9.769 3.093 3.322) 10.772 1.657 ( 8.093 -0.933 2.870) 8.637 2.051 ( -1.927 18.220 -2.427) 18.481 2.100 ( -0.556 15.286 1.249) 15.347 2.268 ( -3.953 1.116 3.014) 5.095 2.314 ( -4.039 9.714 -1.197) 10.589 2.495 ( 2.511 -3.525 -2.484) 4.990 2.595 ( -1.414 -18.563 -0.082) 18.617 2.712 ( 0.088 1.344 -1.235) 1.827 2.830 ( 0.064 -12.016 3.133) 12.418 2.944 ( -2.432 4.931 -0.599) 5.530 3.038 ( -1.132 -4.526 0.183) 4.669 3.298 ( -1.869 -2.666 0.113) 3.258 3.310 ( -1.465 -3.872 -1.811) 4.518 3.459 ( 0.598 1.972 0.452) 2.110 3.551 ( 3.526 -5.831 -1.221) 6.923 3.753 ( -0.517 0.221 -0.193) 0.595 3.776 ( -0.600 -1.431 0.061) 1.553 4.142 ( 0.668 2.639 -2.631) 3.786 4.184 ( 1.293 2.079 -1.032) 2.657 4.241 ( 2.153 0.265 -0.138) 2.174 4.315 ( 1.890 -3.398 -0.071) 3.889 4.505 ( -7.381 4.341 1.489) 8.691 4.595 ( -5.953 -3.982 1.914) 7.413 4.670 ( -5.180 2.924 -0.331) 5.958 4.745 ( -4.457 -4.314 -1.472) 6.375 5.304 ( 7.176 2.520 0.015) 7.605 5.367 ( 6.868 -3.664 -0.256) 7.789 5.766 ( 3.359 3.646 0.770) 5.016 5.822 ( 3.791 -2.016 0.963) 4.400 6.908 ( -4.493 14.278 -2.666) 15.204 7.099 ( 1.920 9.852 4.796) 11.125 7.217 ( -6.133 -11.040 -2.618) 12.897 7.398 ( -1.506 -14.334 -0.235) 14.415 12.081 ( -1.632 17.995 0.167) 18.070 12.223 ( 0.463 20.088 0.252) 20.095 12.477 ( -2.853 -19.829 -0.033) 20.033 12.658 ( 0.553 -21.658 0.607) 21.674 15.801 ( -0.182 25.737 1.785) 25.800 15.891 ( 0.277 24.776 -2.154) 24.871 16.280 ( -0.362 -21.716 1.499) 21.771 16.347 ( -0.322 -20.462 -1.919) 20.554 20.691 ( 0.169 0.289 -0.080) 0.344 20.700 ( 0.109 -0.560 0.017) 0.571 20.750 ( 0.564 0.469 0.272) 0.782 20.756 ( 0.520 -0.089 0.280) 0.597 21.526 ( 0.584 0.269 0.025) 0.644 21.538 ( 0.739 -0.925 -0.050) 1.185 21.660 ( -0.415 1.056 -0.121) 1.141 21.677 ( -0.099 -0.622 -0.058) 0.632 23.290 ( -0.317 0.640 0.193) 0.740 23.298 ( -0.254 -0.121 -0.030) 0.283 23.514 ( 0.086 0.127 0.058) 0.164 23.523 ( 0.193 -0.690 -0.182) 0.739 28.204 ( -0.561 0.430 0.280) 0.760 28.217 ( -0.043 -0.916 1.815) 2.033 28.364 ( -1.570 1.667 -0.167) 2.296 28.412 ( -0.604 -2.943 -0.269) 3.016 31.788 ( -0.460 0.385 0.441) 0.744 31.797 ( -0.598 -0.440 0.291) 0.797 31.833 ( -0.197 0.358 -0.494) 0.641 31.841 ( -0.029 -0.292 -0.359) 0.464 35.924 ( 2.711 6.536 -0.730) 7.113 36.027 ( 3.803 -3.432 0.659) 5.165 36.303 ( 2.584 1.408 -0.073) 2.944 36.351 ( 3.491 -3.334 -0.030) 4.828 39.339 ( 1.384 6.688 0.153) 6.831 39.477 ( -0.061 -6.482 -0.732) 6.523 39.654 ( 4.431 8.568 1.032) 9.701 39.830 ( 4.133 -8.274 1.634) 9.392 42.822 ( 0.924 3.518 -0.006) 3.638 42.892 ( 1.832 -3.237 -2.235) 4.340 43.404 ( -2.242 5.054 -2.166) 5.938 43.534 ( -0.351 -8.144 -2.408) 8.499 85.028 ( -0.371 4.918 -1.084) 5.049 85.124 ( -1.435 -4.566 -0.736) 4.842 85.693 ( 10.931 8.568 -2.121) 14.050 85.934 ( 13.291 -15.251 -2.680) 20.407 ======================= Grid point 146 (80/116) ======================= q-point: ( 0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -1.490 6.022 -4.496) 7.662 1.083 ( -0.959 1.435 -8.681) 8.851 1.179 ( 2.010 0.377 -0.873) 2.223 1.248 ( 2.612 -5.754 0.988) 6.396 1.317 ( 5.143 0.011 2.225) 5.604 1.386 ( 4.531 -5.416 2.510) 7.495 1.766 ( 4.861 4.264 -1.799) 6.712 1.842 ( 7.817 -1.630 0.783) 8.024 2.017 ( 0.729 18.682 -1.158) 18.732 2.060 ( -4.895 20.927 0.852) 21.509 2.225 ( -3.509 -1.454 2.333) 4.458 2.262 ( -1.849 8.752 1.992) 9.164 2.498 ( 1.177 -7.385 -3.235) 8.148 2.574 ( -1.917 -23.509 0.598) 23.595 2.640 ( -3.876 7.996 -4.431) 9.929 2.859 ( 0.403 -12.713 0.125) 12.720 2.902 ( -1.632 5.920 1.459) 6.312 3.027 ( -0.081 -7.284 0.657) 7.314 3.260 ( -1.384 -3.451 -0.383) 3.738 3.268 ( -0.935 -3.592 -1.343) 3.947 3.486 ( 2.371 5.461 0.535) 5.978 3.616 ( 4.114 -6.547 -0.106) 7.732 3.738 ( -1.043 0.280 -0.570) 1.221 3.766 ( -1.374 -2.018 0.630) 2.521 4.131 ( 0.866 3.979 -1.749) 4.432 4.199 ( 1.333 2.352 -0.764) 2.809 4.261 ( -0.572 -1.351 -0.021) 1.467 4.336 ( 0.385 -3.085 0.020) 3.109 4.436 ( -1.040 4.395 1.556) 4.777 4.525 ( -2.804 -4.051 1.781) 5.239 4.578 ( -4.286 2.325 0.276) 4.884 4.652 ( -3.677 -4.790 -1.077) 6.135 5.437 ( 6.242 2.704 0.180) 6.805 5.479 ( 4.886 -1.384 -0.311) 5.088 5.815 ( 1.343 3.171 -0.077) 3.445 5.871 ( 0.834 -2.368 -0.241) 2.522 6.824 ( -1.482 14.042 -1.830) 14.238 7.065 ( -6.427 -3.998 -3.658) 8.406 7.182 ( 1.941 0.858 4.488) 4.964 7.368 ( -1.416 -11.967 -0.127) 12.052 12.069 ( -0.231 16.972 0.868) 16.995 12.221 ( -0.523 20.573 -0.649) 20.590 12.442 ( -0.994 -19.578 0.878) 19.623 12.652 ( -0.993 -21.717 -0.838) 21.756 15.811 ( -0.492 25.497 1.686) 25.558 15.886 ( 0.884 24.415 -1.278) 24.464 16.285 ( -0.479 -21.388 1.317) 21.434 16.338 ( 0.443 -20.315 -0.728) 20.333 20.693 ( 0.081 0.203 -0.156) 0.268 20.699 ( -0.153 -0.433 -0.086) 0.467 20.763 ( 0.433 0.402 0.213) 0.628 20.767 ( 0.263 0.040 0.248) 0.364 21.543 ( 0.895 0.487 0.558) 1.161 21.557 ( 0.955 -0.912 0.588) 1.446 21.653 ( -0.236 1.181 0.124) 1.211 21.675 ( -0.103 -0.949 0.083) 0.958 23.286 ( -0.232 0.594 0.191) 0.665 23.294 ( -0.165 -0.101 -0.008) 0.193 23.516 ( 0.035 0.134 0.034) 0.143 23.524 ( 0.144 -0.672 -0.200) 0.716 28.203 ( -0.120 1.282 0.865) 1.551 28.233 ( -0.167 -1.737 2.092) 2.724 28.333 ( -1.267 2.361 -0.506) 2.727 28.397 ( -0.600 -3.618 -0.574) 3.712 31.774 ( -0.834 0.080 -0.722) 1.106 31.778 ( -1.139 -0.297 -0.694) 1.366 31.830 ( 0.165 0.587 -0.120) 0.621 31.839 ( 0.056 -0.336 -0.142) 0.369 35.982 ( 3.345 6.339 0.274) 7.172 36.098 ( 2.697 -4.887 0.144) 5.584 36.337 ( 1.282 2.732 0.440) 3.050 36.405 ( 1.636 -3.869 0.348) 4.216 39.379 ( 2.956 5.461 -0.308) 6.217 39.459 ( -1.182 -1.106 -0.223) 1.634 39.769 ( 4.873 4.181 3.131) 7.143 39.908 ( 1.469 -8.177 3.008) 8.836 42.835 ( 0.745 3.275 -0.362) 3.378 42.902 ( 1.788 -3.179 -2.547) 4.449 43.350 ( -0.949 5.755 -2.591) 6.382 43.490 ( -1.131 -8.290 -3.951) 9.253 85.074 ( 3.709 3.117 3.439) 5.941 85.138 ( 2.059 -3.263 2.374) 4.530 85.817 ( 5.187 9.342 -5.149) 11.861 86.070 ( 5.658 -15.643 -6.966) 18.034 ======================= Grid point 147 (81/116) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -5.375 5.725 -5.241) 9.441 0.981 ( -2.324 -1.570 -7.429) 7.941 1.192 ( -0.023 -0.204 0.444) 0.489 1.267 ( 0.597 -6.547 -1.287) 6.699 1.468 ( 6.158 2.368 4.750) 8.130 1.523 ( 5.483 -2.909 4.337) 7.572 1.747 ( -5.181 5.695 -4.444) 8.890 1.816 ( -9.125 -0.651 -4.455) 10.175 2.019 ( 2.493 17.023 1.050) 17.236 2.063 ( 1.636 20.668 -0.361) 20.736 2.183 ( -2.554 5.651 2.561) 6.709 2.262 ( -0.435 0.228 2.893) 2.935 2.483 ( 1.142 -9.703 -3.680) 10.440 2.512 ( -1.407 10.199 -4.550) 11.256 2.602 ( 1.926 -20.329 1.265) 20.459 2.822 ( -1.093 -13.134 -4.248) 13.847 2.931 ( 0.338 2.406 4.268) 4.911 3.033 ( -0.332 -5.313 1.145) 5.446 3.243 ( 0.066 -2.234 -0.427) 2.276 3.266 ( 1.735 -3.762 -0.660) 4.195 3.560 ( 3.125 5.466 2.052) 6.622 3.647 ( -2.594 -0.985 -0.601) 2.839 3.722 ( -2.388 -2.536 -0.374) 3.503 3.746 ( 3.201 -6.019 -0.411) 6.829 4.154 ( 1.921 6.078 -0.338) 6.383 4.204 ( 0.867 6.518 -1.671) 6.784 4.273 ( 2.006 -5.543 1.421) 6.064 4.328 ( -0.399 -4.848 -0.732) 4.919 4.457 ( 0.172 2.072 1.162) 2.382 4.497 ( -3.184 -2.205 2.367) 4.539 4.526 ( -0.383 2.210 -0.330) 2.267 4.612 ( 1.027 -5.232 -0.734) 5.382 5.514 ( 0.450 2.466 0.611) 2.580 5.535 ( 0.693 0.421 0.046) 0.812 5.818 ( -0.672 1.247 -0.172) 1.427 5.849 ( -2.092 -1.747 -1.022) 2.911 6.827 ( 2.344 10.745 -0.151) 10.999 6.918 ( -4.731 4.453 -3.591) 7.424 7.252 ( 1.641 -4.413 2.927) 5.544 7.353 ( 0.595 -11.433 -0.654) 11.467 12.085 ( 0.574 17.129 1.599) 17.213 12.195 ( -0.888 20.067 -1.518) 20.144 12.457 ( 0.963 -19.732 2.117) 19.869 12.612 ( -1.598 -21.230 -2.114) 21.395 15.812 ( -0.940 25.360 1.459) 25.420 15.901 ( 1.746 24.483 -0.952) 24.563 16.285 ( -0.794 -21.398 1.198) 21.446 16.352 ( 1.817 -20.112 -0.511) 20.201 20.692 ( 0.039 0.101 -0.186) 0.215 20.695 ( -0.121 -0.171 -0.191) 0.283 20.767 ( -0.186 0.345 0.187) 0.434 20.771 ( -0.023 0.022 0.140) 0.143 21.566 ( 0.607 0.623 0.897) 1.250 21.579 ( 0.482 -0.630 0.721) 1.072 21.655 ( 0.221 0.837 0.311) 0.920 21.674 ( -0.049 -1.042 -0.029) 1.044 23.285 ( -0.076 0.574 0.188) 0.609 23.292 ( 0.023 -0.094 -0.008) 0.098 23.516 ( -0.045 0.141 0.025) 0.150 23.524 ( 0.073 -0.667 -0.205) 0.702 28.211 ( -0.418 1.485 1.494) 2.148 28.250 ( -0.126 -2.058 2.265) 3.063 28.313 ( 0.054 2.687 -0.887) 2.830 28.383 ( 0.039 -3.791 -1.047) 3.933 31.749 ( -0.898 0.044 -0.829) 1.223 31.753 ( -0.443 -0.329 -0.911) 1.065 31.833 ( 0.216 0.360 -0.094) 0.431 31.838 ( -0.031 -0.074 -0.235) 0.248 36.039 ( 1.428 4.592 1.255) 4.970 36.109 ( -1.339 -2.133 -0.758) 2.630 36.373 ( 1.553 0.568 1.146) 2.013 36.415 ( -0.469 -3.268 -0.163) 3.306 39.418 ( -2.634 4.287 0.367) 5.045 39.439 ( 2.430 2.000 -0.198) 3.153 39.873 ( 1.574 0.004 4.010) 4.308 39.944 ( 0.656 -6.696 2.402) 7.144 42.841 ( -0.179 3.414 -0.069) 3.419 42.915 ( 1.577 -3.707 -2.096) 4.541 43.322 ( 0.304 4.230 -2.313) 4.830 43.424 ( -1.143 -6.209 -5.124) 8.132 85.198 ( 3.520 1.074 6.226) 7.232 85.232 ( 3.274 -2.228 5.902) 7.107 85.792 ( -1.593 8.172 -6.934) 10.835 86.021 ( -2.277 -14.601 -10.549) 18.156 ======================= Grid point 148 (82/116) ======================= q-point: (-0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -4.786 7.135 -1.430) 8.709 0.882 ( -1.889 -3.874 -3.720) 5.694 1.186 ( -1.274 -0.952 0.398) 1.640 1.251 ( -1.351 -6.211 -1.794) 6.605 1.480 ( -13.710 5.684 -4.459) 15.498 1.557 ( -9.489 -2.115 -2.563) 10.054 1.607 ( -0.062 1.904 2.209) 2.917 1.664 ( 2.399 -2.951 4.354) 5.781 2.039 ( -1.496 16.916 -1.256) 17.028 2.084 ( 2.492 24.482 -0.575) 24.615 2.191 ( 0.566 0.691 3.920) 4.020 2.312 ( 2.673 5.993 2.690) 7.092 2.452 ( 0.521 0.439 -2.304) 2.402 2.530 ( 4.494 -2.019 -3.386) 5.978 2.666 ( 2.528 -19.205 0.965) 19.394 2.760 ( -0.422 -13.706 -4.226) 14.349 2.974 ( 0.426 1.917 3.454) 3.973 3.039 ( -0.481 -3.699 1.572) 4.047 3.250 ( 1.118 0.536 -0.921) 1.544 3.314 ( 3.363 -5.690 -0.772) 6.655 3.549 ( -4.731 1.410 -0.836) 5.007 3.589 ( -3.251 -1.980 0.545) 3.845 3.691 ( 0.405 2.018 -0.073) 2.060 3.801 ( 1.957 -8.042 -0.973) 8.334 4.145 ( -0.769 7.011 -2.020) 7.337 4.260 ( 2.432 1.786 -1.698) 3.462 4.289 ( 2.364 -1.645 -0.454) 2.916 4.368 ( 2.330 -3.182 0.468) 3.972 4.432 ( -2.444 -0.002 1.578) 2.909 4.470 ( -0.582 -3.825 2.666) 4.699 4.569 ( 4.116 3.918 -0.102) 5.684 4.660 ( 4.091 -4.985 -0.978) 6.523 5.462 ( -5.669 1.542 0.409) 5.889 5.475 ( -6.581 0.409 -0.672) 6.628 5.783 ( -2.937 0.807 0.082) 3.047 5.805 ( -2.300 -1.241 0.508) 2.663 6.795 ( -2.645 13.173 -1.659) 13.538 6.941 ( 6.256 3.046 0.381) 6.969 7.288 ( 0.531 -4.987 0.913) 5.097 7.395 ( 4.195 -11.243 -0.520) 12.011 12.108 ( -0.046 18.561 1.287) 18.606 12.174 ( 0.466 18.802 -1.027) 18.836 12.501 ( 0.748 -20.391 1.986) 20.501 12.570 ( -0.035 -20.502 -1.623) 20.567 15.804 ( -1.189 25.282 1.161) 25.336 15.933 ( 2.463 25.192 -1.154) 25.338 16.277 ( -0.941 -21.458 0.827) 21.494 16.398 ( 3.479 -20.470 -0.756) 20.777 20.692 ( 0.153 0.122 -0.068) 0.208 20.695 ( 0.282 -0.117 -0.081) 0.316 20.762 ( -0.484 0.481 0.227) 0.719 20.769 ( -0.274 -0.174 0.169) 0.366 21.573 ( -0.576 0.682 0.384) 0.972 21.585 ( -0.292 -0.459 0.253) 0.600 21.665 ( 0.431 0.088 0.358) 0.568 21.672 ( 0.007 -0.592 -0.312) 0.670 23.287 ( 0.076 0.597 0.186) 0.630 23.294 ( 0.228 -0.118 -0.016) 0.257 23.515 ( -0.105 0.141 0.043) 0.181 23.523 ( 0.017 -0.681 -0.191) 0.708 28.207 ( -1.251 2.577 1.239) 3.121 28.268 ( -0.285 -3.317 2.265) 4.026 28.325 ( 1.881 2.188 -0.636) 2.954 28.383 ( 1.049 -3.282 -1.137) 3.628 31.734 ( -0.005 0.413 -0.207) 0.462 31.746 ( 0.375 -0.714 -0.273) 0.852 31.833 ( -0.110 0.246 -0.240) 0.361 31.835 ( -0.001 0.024 -0.212) 0.213 36.021 ( -4.439 3.526 -0.181) 5.672 36.076 ( -1.111 -1.568 0.491) 1.983 36.377 ( -1.669 0.515 -0.129) 1.751 36.417 ( 0.392 -3.025 0.374) 3.073 39.348 ( -4.562 7.101 0.222) 8.444 39.468 ( 0.034 -3.744 -0.259) 3.753 39.878 ( -2.819 3.096 2.246) 4.752 40.000 ( 1.837 -8.032 1.970) 8.472 42.817 ( -2.304 3.433 -0.140) 4.137 42.903 ( -1.249 -4.985 -2.483) 5.707 43.317 ( 1.052 2.994 -1.936) 3.718 43.377 ( 1.481 -3.050 -3.859) 5.137 85.289 ( 0.121 1.103 4.622) 4.754 85.319 ( -0.839 -2.093 3.885) 4.492 85.663 ( -5.403 3.398 -3.537) 7.297 85.801 ( -9.165 -10.719 -11.436) 18.156 ======================= Grid point 149 (83/116) ======================= q-point: (-0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -1.640 8.735 3.229) 9.456 0.851 ( 0.074 -4.395 0.017) 4.396 1.109 ( -9.925 3.333 -2.913) 10.867 1.147 ( -4.800 -2.440 0.622) 5.421 1.248 ( -7.186 -1.462 -0.261) 7.337 1.329 ( -8.668 -7.038 -2.086) 11.359 1.632 ( 0.057 3.482 1.411) 3.757 1.712 ( -0.978 -4.169 2.126) 4.781 1.992 ( -1.776 19.838 -1.153) 19.951 2.124 ( 1.863 23.700 0.268) 23.775 2.268 ( 2.331 -5.058 3.589) 6.626 2.370 ( 2.012 9.097 -0.599) 9.336 2.488 ( 2.521 4.105 2.757) 5.550 2.578 ( 3.631 -7.197 -2.899) 8.567 2.690 ( 1.613 -11.950 -2.182) 12.254 2.769 ( 2.578 -15.518 0.241) 15.733 3.009 ( 0.531 -0.210 2.104) 2.180 3.033 ( -1.401 -3.107 0.534) 3.450 3.263 ( 1.208 1.666 -0.559) 2.132 3.325 ( -1.637 -3.748 -1.962) 4.536 3.502 ( 0.746 -2.354 -0.169) 2.475 3.517 ( -2.757 -3.250 0.132) 4.264 3.694 ( -0.964 2.907 0.324) 3.080 3.787 ( -2.388 -6.372 -1.418) 6.951 4.116 ( 0.070 6.345 -2.034) 6.663 4.234 ( -0.856 -4.667 -1.934) 5.124 4.310 ( -2.449 2.466 -1.158) 3.664 4.357 ( -2.094 -1.852 -0.540) 2.847 4.473 ( 5.407 3.266 2.229) 6.698 4.553 ( 4.879 -4.343 2.011) 6.834 4.656 ( 4.895 3.255 -0.055) 5.878 4.734 ( 4.610 -4.289 -0.963) 6.370 5.319 ( -7.926 1.355 -0.523) 8.058 5.344 ( -6.304 -1.102 0.458) 6.416 5.720 ( -4.205 1.755 0.977) 4.660 5.750 ( -4.506 -1.273 1.957) 5.075 6.767 ( 0.233 17.298 0.235) 17.302 7.065 ( 5.351 -7.421 1.061) 9.210 7.305 ( 1.138 1.246 -0.572) 1.782 7.477 ( 4.761 -10.930 -1.243) 11.987 12.103 ( -0.461 18.714 -0.128) 18.720 12.199 ( 1.703 19.221 0.636) 19.307 12.497 ( -0.573 -20.388 -0.607) 20.405 12.604 ( 2.120 -20.895 1.644) 21.066 15.791 ( -1.171 25.300 1.020) 25.347 15.965 ( 2.345 26.465 -2.103) 26.652 16.267 ( -0.851 -21.560 0.634) 21.586 16.460 ( 4.105 -21.832 -2.293) 22.333 20.696 ( 0.317 0.261 -0.097) 0.422 20.703 ( 0.454 -0.339 0.061) 0.570 20.755 ( -0.425 0.602 0.209) 0.766 20.764 ( -0.368 -0.279 0.147) 0.484 21.557 ( -0.881 0.555 -0.354) 1.100 21.571 ( -1.041 -0.786 -0.405) 1.365 21.667 ( -0.219 0.260 -0.369) 0.501 21.673 ( -0.003 -0.349 0.187) 0.396 23.291 ( 0.145 0.660 0.180) 0.699 23.300 ( 0.339 -0.185 -0.046) 0.389 23.513 ( -0.122 0.128 0.067) 0.190 23.522 ( -0.005 -0.703 -0.170) 0.723 28.193 ( -1.099 3.615 0.901) 3.885 28.276 ( -0.795 -4.558 1.502) 4.865 28.363 ( 2.294 1.137 -0.283) 2.576 28.399 ( 1.403 -2.393 -0.668) 2.854 31.746 ( 1.025 0.612 0.653) 1.361 31.762 ( 1.082 -0.874 0.563) 1.501 31.827 ( -0.326 0.321 -0.241) 0.517 31.831 ( -0.340 -0.098 -0.087) 0.364 35.918 ( -5.312 6.106 -0.517) 8.110 36.045 ( -2.482 -5.990 0.274) 6.489 36.341 ( -1.628 2.575 -0.483) 3.084 36.401 ( -2.091 -3.155 -0.594) 3.831 39.264 ( -4.251 7.520 0.698) 8.666 39.428 ( -3.715 -8.578 -0.110) 9.349 39.835 ( -2.479 8.359 -0.462) 8.730 40.015 ( -1.360 -9.170 -0.606) 9.290 42.762 ( -3.152 2.355 0.513) 3.967 42.825 ( -3.825 -4.025 -1.873) 5.861 43.339 ( 3.385 4.308 -1.648) 5.721 43.409 ( 3.538 -2.722 -1.012) 4.577 85.216 ( -7.529 1.133 -4.224) 8.707 85.262 ( -5.455 -2.959 -2.949) 6.871 85.506 ( -8.525 3.019 -1.182) 9.120 85.613 ( -4.600 -7.167 3.091) 9.060 ======================= Grid point 150 (84/116) ======================= q-point: (-0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.791 8.305 5.548) 10.019 0.878 ( 1.662 -0.629 2.556) 3.113 0.934 ( -5.027 6.435 0.020) 8.165 1.057 ( -5.303 -4.383 1.322) 7.006 1.132 ( -4.639 -3.817 1.446) 6.179 1.234 ( -1.694 -9.541 2.911) 10.118 1.634 ( -0.525 0.915 -1.145) 1.557 1.675 ( -3.193 -2.505 -1.674) 4.390 1.976 ( 0.966 21.103 0.280) 21.127 2.145 ( 0.207 18.398 -0.320) 18.402 2.306 ( 0.184 -1.698 1.944) 2.587 2.416 ( 3.027 3.596 -1.350) 4.891 2.528 ( -0.504 6.694 1.102) 6.803 2.606 ( 1.491 0.774 -3.121) 3.545 2.721 ( 2.727 -16.950 -0.334) 17.171 2.818 ( 0.659 -16.544 1.667) 16.641 2.997 ( -1.830 -0.754 -0.331) 2.007 3.035 ( 0.449 -2.882 1.652) 3.352 3.279 ( -0.121 0.436 -1.144) 1.230 3.306 ( 2.583 -1.972 0.575) 3.300 3.467 ( -2.099 1.876 -0.196) 2.822 3.552 ( 2.003 -5.118 -1.063) 5.598 3.676 ( -0.279 0.919 2.255) 2.451 3.713 ( -3.394 -2.892 0.879) 4.545 4.111 ( 0.797 5.107 -1.228) 5.312 4.205 ( -0.718 -3.107 -1.441) 3.499 4.239 ( -2.899 2.423 -0.980) 3.903 4.304 ( -2.176 -2.983 -1.386) 3.944 4.598 ( 4.828 2.455 1.824) 5.715 4.651 ( 3.286 -2.776 2.100) 4.787 4.751 ( 5.109 3.074 0.079) 5.963 4.815 ( 4.094 -2.931 -0.486) 5.059 5.196 ( -4.605 1.759 0.048) 4.930 5.249 ( -3.958 -3.315 -0.018) 5.163 5.654 ( -3.640 2.090 1.980) 4.641 5.685 ( -4.189 -1.129 2.665) 5.092 6.800 ( 1.773 18.149 2.411) 18.394 7.159 ( 3.177 -16.308 2.398) 16.787 7.305 ( 0.141 9.894 -3.021) 10.346 7.536 ( 2.774 -11.737 -2.372) 12.291 12.103 ( 0.509 18.586 0.331) 18.596 12.227 ( 0.488 19.614 0.051) 19.620 12.498 ( 0.915 -20.293 0.574) 20.321 12.643 ( 0.309 -21.275 1.008) 21.301 15.780 ( -0.911 25.481 1.107) 25.521 15.975 ( 1.260 27.491 -3.410) 27.730 16.259 ( -0.608 -21.855 0.763) 21.877 16.491 ( 2.188 -23.167 -4.773) 23.754 20.699 ( 0.143 0.317 -0.296) 0.456 20.707 ( -0.058 -0.392 -0.199) 0.444 20.750 ( -0.290 0.418 0.007) 0.509 20.757 ( -0.428 -0.262 -0.082) 0.508 21.539 ( -0.516 0.092 -0.627) 0.817 21.546 ( -0.808 -0.630 -0.698) 1.239 21.660 ( -0.088 0.748 -0.019) 0.753 21.672 ( -0.171 -0.393 0.122) 0.446 23.295 ( 0.073 0.722 0.175) 0.746 23.305 ( 0.246 -0.249 -0.106) 0.366 23.512 ( -0.100 0.115 0.074) 0.169 23.520 ( 0.016 -0.717 -0.162) 0.735 28.185 ( -0.641 3.536 0.966) 3.721 28.266 ( -1.265 -4.451 0.582) 4.664 28.399 ( 1.533 0.136 -0.177) 1.549 28.416 ( 0.780 -1.579 -0.417) 1.810 31.781 ( 1.445 0.455 1.206) 1.936 31.792 ( 1.059 -0.669 1.085) 1.657 31.816 ( -0.496 0.306 -0.146) 0.601 31.821 ( -0.589 -0.162 -0.032) 0.612 35.837 ( -2.547 8.315 0.552) 8.713 36.000 ( -1.965 -7.429 -0.238) 7.688 36.304 ( -1.467 1.253 -1.261) 2.305 36.331 ( -3.654 -1.505 -2.135) 4.492 39.218 ( -1.627 6.539 2.271) 7.111 39.359 ( -3.138 -7.467 1.587) 8.253 39.773 ( -2.227 8.482 -3.382) 9.399 39.936 ( -4.276 -7.552 -4.078) 9.589 42.730 ( -1.299 1.584 2.249) 3.042 42.771 ( -0.813 -2.610 1.270) 3.014 43.407 ( 4.511 3.581 -0.608) 5.791 43.469 ( 2.984 -2.563 -0.280) 3.943 85.052 ( -2.667 5.284 -2.219) 6.321 85.157 ( -0.673 -5.138 -1.314) 5.346 85.388 ( -6.061 6.628 1.785) 9.157 85.549 ( -6.204 -9.029 3.066) 11.375 ======================= Grid point 175 (85/116) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 1.529 0.000 7.692) 7.843 0.618 ( 3.382 0.000 0.843) 3.486 0.918 ( -3.701 0.000 0.749) 3.776 0.936 ( 4.292 0.000 -1.136) 4.440 1.270 ( 7.785 0.000 9.859) 12.562 1.382 ( -0.943 0.000 -1.587) 1.846 1.524 ( 4.835 0.000 1.902) 5.196 1.620 ( -9.909 0.000 -6.813) 12.025 1.762 ( 0.401 0.000 2.212) 2.248 1.801 ( -0.946 0.000 -1.629) 1.884 1.980 ( 5.078 0.000 1.964) 5.445 2.033 ( -4.804 0.000 -3.206) 5.775 2.481 ( -3.577 0.000 0.887) 3.686 2.504 ( -2.782 0.000 -1.544) 3.182 2.815 ( -1.441 0.000 0.040) 1.441 2.820 ( 4.331 0.000 -0.268) 4.339 3.367 ( 2.971 0.000 6.367) 7.026 3.443 ( 0.326 0.000 2.004) 2.030 3.473 ( 3.542 0.000 -2.737) 4.476 3.501 ( -5.411 0.000 -5.021) 7.382 3.588 ( -1.840 0.000 0.694) 1.967 3.614 ( 0.311 0.000 -1.781) 1.808 3.895 ( -0.010 0.000 6.237) 6.237 4.024 ( 3.439 0.000 -5.828) 6.767 4.060 ( 3.810 0.000 0.697) 3.873 4.079 ( -2.697 0.000 -0.703) 2.787 4.321 ( 2.589 0.000 0.997) 2.775 4.348 ( -2.674 0.000 -1.653) 3.144 4.671 ( -0.721 0.000 0.740) 1.033 4.685 ( 4.248 0.000 -0.385) 4.266 4.789 ( -5.957 0.000 1.319) 6.102 4.834 ( 3.017 0.000 -2.707) 4.053 5.301 ( -2.087 0.000 3.269) 3.878 5.351 ( 4.354 0.000 -1.688) 4.669 5.619 ( 5.235 0.000 1.726) 5.512 5.654 ( -6.953 0.000 -1.784) 7.178 6.445 ( 6.883 0.000 9.431) 11.675 6.629 ( -7.348 0.000 -8.921) 11.558 7.966 ( 0.540 0.000 1.580) 1.670 7.995 ( 2.001 0.000 -1.284) 2.377 11.467 ( -0.888 0.000 1.350) 1.616 11.498 ( 0.371 0.000 -1.655) 1.696 13.549 ( 2.304 0.000 0.869) 2.462 13.568 ( -3.048 0.000 -1.113) 3.245 14.632 ( -1.014 0.000 2.075) 2.310 14.676 ( 0.922 0.000 -2.339) 2.514 16.931 ( 0.160 0.000 1.027) 1.039 16.950 ( -0.129 0.000 -0.872) 0.881 20.686 ( 0.214 0.000 0.106) 0.239 20.694 ( -0.333 0.000 -0.634) 0.716 20.734 ( 0.277 0.000 0.213) 0.350 20.740 ( -0.379 0.000 -0.380) 0.536 21.589 ( 1.124 0.000 0.373) 1.184 21.594 ( -0.921 0.000 -0.207) 0.944 21.609 ( 1.291 0.000 0.420) 1.358 21.622 ( -1.286 0.000 -0.809) 1.519 23.271 ( -0.356 0.000 0.355) 0.503 23.279 ( 0.257 0.000 -0.366) 0.448 23.537 ( -0.294 0.000 0.589) 0.658 23.549 ( 0.292 0.000 -0.578) 0.648 28.199 ( 2.594 0.000 4.191) 4.929 28.287 ( -2.934 0.000 -4.539) 5.404 28.504 ( 2.397 0.000 0.198) 2.406 28.508 ( -4.230 0.000 -0.268) 4.238 31.808 ( -1.115 0.000 0.513) 1.227 31.816 ( 1.079 0.000 -0.233) 1.103 31.829 ( 1.267 0.000 0.346) 1.313 31.831 ( -0.818 0.000 0.168) 0.835 35.580 ( 5.792 0.000 2.632) 6.362 35.637 ( -6.179 0.000 -3.099) 6.912 36.342 ( 3.535 0.000 1.849) 3.989 36.375 ( -3.055 0.000 -1.470) 3.390 39.152 ( 0.466 0.000 6.123) 6.140 39.274 ( -0.729 0.000 -5.963) 6.008 39.745 ( 5.872 0.000 4.285) 7.269 39.828 ( -5.172 0.000 -3.906) 6.481 42.751 ( -2.186 0.000 4.025) 4.580 42.842 ( 2.366 0.000 -5.153) 5.670 43.586 ( -8.082 0.000 5.368) 9.702 43.680 ( 14.676 0.000 -4.125) 15.245 85.063 ( -11.046 0.000 -0.670) 11.067 85.074 ( 16.432 0.000 -1.823) 16.533 85.707 ( 25.297 0.000 2.371) 25.408 85.723 ( -18.767 0.000 0.717) 18.781 ======================= Grid point 176 (86/116) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 0.392 0.000 -1.384) 1.439 0.638 ( 2.132 0.000 -8.080) 8.357 0.855 ( -2.396 0.000 2.020) 3.134 1.021 ( 5.055 0.000 -0.892) 5.133 1.258 ( -6.430 0.000 -11.662) 13.317 1.434 ( 5.832 0.000 0.341) 5.842 1.469 ( -1.131 0.000 1.470) 1.855 1.739 ( 8.718 0.000 5.261) 10.182 1.754 ( -2.571 0.000 -1.379) 2.918 1.780 ( 0.610 0.000 3.098) 3.158 1.922 ( -3.266 0.000 -3.260) 4.614 2.095 ( 4.409 0.000 2.602) 5.120 2.477 ( -0.426 0.000 7.271) 7.283 2.487 ( -1.920 0.000 1.517) 2.447 2.821 ( 2.709 0.000 -2.041) 3.392 2.941 ( 9.792 0.000 -0.906) 9.834 3.370 ( -2.589 0.000 -3.916) 4.694 3.397 ( -2.407 0.000 0.689) 2.504 3.500 ( 2.582 0.000 -3.597) 4.427 3.547 ( 5.237 0.000 5.736) 7.767 3.600 ( 1.008 0.000 2.303) 2.514 3.647 ( 4.152 0.000 0.129) 4.154 3.876 ( -7.670 0.000 0.012) 7.670 3.952 ( -2.192 0.000 -7.910) 8.208 3.973 ( -5.644 0.000 -0.273) 5.651 4.090 ( -0.868 0.000 -0.311) 0.922 4.264 ( -4.876 0.000 -1.301) 5.047 4.372 ( 1.853 0.000 1.477) 2.370 4.614 ( -3.293 0.000 -0.852) 3.402 4.627 ( -5.828 0.000 -1.097) 5.930 4.779 ( -0.206 0.000 3.025) 3.032 4.881 ( 2.096 0.000 -1.575) 2.622 5.294 ( -0.296 0.000 1.394) 1.425 5.403 ( 3.863 0.000 -5.018) 6.332 5.549 ( -2.746 0.000 0.345) 2.767 5.761 ( 6.808 0.000 2.560) 7.273 6.434 ( -4.441 0.000 -8.071) 9.213 6.687 ( 8.548 0.000 8.674) 12.178 7.892 ( -8.381 0.000 -0.492) 8.395 7.952 ( -3.228 0.000 -3.166) 4.521 11.481 ( 0.962 0.000 1.839) 2.075 11.490 ( -0.186 0.000 -1.282) 1.295 13.499 ( -3.360 0.000 -0.153) 3.363 13.590 ( 0.703 0.000 1.189) 1.381 14.643 ( 0.095 0.000 2.437) 2.439 14.682 ( 1.773 0.000 -2.275) 2.884 16.940 ( 0.017 0.000 -0.941) 0.941 16.943 ( 0.187 0.000 0.888) 0.907 20.692 ( 0.595 0.000 -0.418) 0.727 20.700 ( 0.792 0.000 0.489) 0.931 20.732 ( -0.196 0.000 -0.223) 0.297 20.742 ( 0.137 0.000 0.365) 0.390 21.570 ( -1.158 0.000 -0.324) 1.202 21.597 ( -0.442 0.000 -0.492) 0.661 21.606 ( 0.355 0.000 0.038) 0.357 21.640 ( 1.385 0.000 0.658) 1.534 23.268 ( -0.386 0.000 0.444) 0.589 23.279 ( 0.109 0.000 -0.298) 0.317 23.537 ( -0.244 0.000 0.576) 0.626 23.549 ( 0.344 0.000 -0.571) 0.666 28.191 ( -2.682 0.000 -3.834) 4.679 28.287 ( 2.144 0.000 4.436) 4.927 28.444 ( -3.178 0.000 1.007) 3.334 28.552 ( 1.458 0.000 1.760) 2.285 31.793 ( -0.811 0.000 0.381) 0.896 31.807 ( -1.266 0.000 -0.486) 1.356 31.832 ( 0.690 0.000 -0.282) 0.746 31.844 ( 0.147 0.000 -0.350) 0.379 35.583 ( 3.011 0.000 -0.403) 3.038 35.788 ( 12.087 0.000 1.825) 12.224 36.308 ( -2.239 0.000 -2.015) 3.012 36.430 ( 4.129 0.000 1.181) 4.295 39.200 ( -0.926 0.000 -5.690) 5.765 39.211 ( -0.309 0.000 6.177) 6.185 39.747 ( 1.171 0.000 -2.610) 2.861 39.924 ( 8.083 0.000 2.513) 8.464 42.758 ( -1.118 0.000 4.251) 4.395 42.850 ( 3.209 0.000 -4.711) 5.700 43.417 ( -11.146 0.000 -1.140) 11.204 43.811 ( 6.626 0.000 -9.712) 11.757 84.853 ( -6.659 0.000 -3.145) 7.364 85.309 ( 12.020 0.000 -4.015) 12.673 85.420 ( -10.531 0.000 -2.383) 10.798 86.194 ( 24.970 0.000 -8.319) 26.319 ======================= Grid point 177 (87/116) ======================= q-point: ( 0.25 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 2.354 0.000 -7.473) 7.835 0.583 ( 1.652 0.000 -9.018) 9.168 0.856 ( -0.260 0.000 1.026) 1.058 1.010 ( -1.846 0.000 -11.268) 11.418 1.162 ( 2.884 0.000 2.718) 3.963 1.495 ( 1.301 0.000 2.191) 2.549 1.536 ( 5.307 0.000 -1.699) 5.573 1.682 ( -3.147 0.000 -1.242) 3.383 1.757 ( -1.477 0.000 1.033) 1.802 1.870 ( 0.069 0.000 -1.784) 1.785 1.947 ( 6.541 0.000 0.481) 6.559 2.155 ( -0.651 0.000 -0.647) 0.918 2.431 ( -3.437 0.000 2.016) 3.985 2.548 ( -1.214 0.000 9.114) 9.194 2.849 ( 2.291 0.000 -4.728) 5.254 3.123 ( 4.455 0.000 -0.016) 4.455 3.335 ( 0.603 0.000 -1.104) 1.258 3.390 ( 2.881 0.000 2.539) 3.840 3.535 ( 3.729 0.000 -1.683) 4.091 3.559 ( -8.689 0.000 -5.421) 10.242 3.677 ( 0.457 0.000 1.494) 1.562 3.734 ( 3.884 0.000 3.533) 5.250 3.756 ( 3.045 0.000 0.640) 3.111 3.853 ( 1.372 0.000 -3.848) 4.085 3.895 ( -3.677 0.000 1.963) 4.169 4.034 ( -3.140 0.000 -2.373) 3.936 4.171 ( -3.475 0.000 1.653) 3.848 4.416 ( 1.099 0.000 1.464) 1.831 4.541 ( -3.037 0.000 0.549) 3.086 4.566 ( -0.835 0.000 -0.522) 0.984 4.762 ( -4.041 0.000 2.912) 4.981 4.870 ( -0.969 0.000 -2.313) 2.507 5.307 ( 0.243 0.000 0.491) 0.548 5.412 ( 2.263 0.000 -5.540) 5.984 5.566 ( 3.595 0.000 1.940) 4.085 5.892 ( 4.584 0.000 1.125) 4.720 6.321 ( -0.698 0.000 -5.808) 5.850 6.862 ( 2.336 0.000 2.577) 3.478 7.703 ( -9.721 0.000 1.914) 9.907 7.866 ( -2.294 0.000 -2.528) 3.414 11.465 ( -0.801 0.000 -1.202) 1.444 11.527 ( 1.881 0.000 1.302) 2.288 13.444 ( -2.649 0.000 0.662) 2.730 13.587 ( -1.574 0.000 -0.000) 1.574 14.672 ( 0.093 0.000 2.705) 2.706 14.697 ( 1.860 0.000 -2.274) 2.938 16.934 ( 0.271 0.000 -0.830) 0.873 16.951 ( -0.134 0.000 0.603) 0.618 20.700 ( 0.401 0.000 -0.628) 0.745 20.715 ( 0.093 0.000 0.151) 0.178 20.732 ( 0.401 0.000 0.121) 0.419 20.744 ( -0.162 0.000 0.376) 0.409 21.551 ( -0.619 0.000 -0.106) 0.628 21.603 ( -0.431 0.000 -0.247) 0.497 21.606 ( 1.327 0.000 0.904) 1.606 21.672 ( 1.263 0.000 0.749) 1.468 23.265 ( -0.359 0.000 0.458) 0.582 23.277 ( -0.027 0.000 -0.301) 0.303 23.538 ( -0.254 0.000 0.564) 0.619 23.551 ( 0.318 0.000 -0.575) 0.658 28.128 ( -0.798 0.000 -2.165) 2.308 28.340 ( -1.061 0.000 2.128) 2.378 28.408 ( -1.256 0.000 2.266) 2.591 28.575 ( -1.075 0.000 1.886) 2.171 31.777 ( -1.060 0.000 -0.882) 1.379 31.787 ( -0.151 0.000 0.052) 0.160 31.828 ( -0.982 0.000 -0.807) 1.271 31.837 ( 0.141 0.000 -0.324) 0.354 35.722 ( 7.131 0.000 5.629) 9.085 36.015 ( 9.778 0.000 -1.005) 9.830 36.268 ( 0.250 0.000 -0.209) 0.326 36.511 ( 3.437 0.000 0.338) 3.454 39.157 ( 1.654 0.000 -4.269) 4.579 39.248 ( -1.529 0.000 5.313) 5.529 39.853 ( 7.979 0.000 5.598) 9.747 40.076 ( 6.285 0.000 0.992) 6.363 42.782 ( -0.665 0.000 4.382) 4.432 42.869 ( 3.111 0.000 -4.668) 5.610 43.205 ( -6.022 0.000 -5.055) 7.863 43.787 ( 1.863 0.000 -11.675) 11.823 84.880 ( 9.677 0.000 6.149) 11.466 85.293 ( -2.503 0.000 0.458) 2.544 85.464 ( 8.853 0.000 -5.673) 10.515 86.455 ( 14.303 0.000 -14.988) 20.717 ======================= Grid point 178 (88/116) ======================= q-point: ( 0.38 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 3.163 0.000 -5.035) 5.946 0.599 ( 5.088 0.000 -2.174) 5.534 0.834 ( -2.097 0.000 -1.246) 2.440 0.872 ( -1.310 0.000 -10.069) 10.154 1.288 ( 6.002 0.000 5.788) 8.338 1.555 ( 2.354 0.000 3.270) 4.029 1.588 ( 1.778 0.000 -1.688) 2.451 1.638 ( -0.903 0.000 0.777) 1.191 1.736 ( -0.611 0.000 -1.866) 1.963 1.877 ( 1.653 0.000 -0.409) 1.703 1.997 ( -0.224 0.000 -4.771) 4.777 2.052 ( -4.488 0.000 -5.279) 6.929 2.456 ( 0.889 0.000 7.422) 7.475 2.587 ( -2.576 0.000 7.431) 7.865 2.804 ( -0.635 0.000 -7.215) 7.243 3.042 ( -6.232 0.000 -8.541) 10.573 3.350 ( 1.615 0.000 -1.097) 1.952 3.364 ( -3.188 0.000 -3.645) 4.842 3.507 ( 3.095 0.000 3.370) 4.576 3.598 ( 3.017 0.000 0.255) 3.028 3.683 ( -0.927 0.000 2.221) 2.407 3.700 ( -3.339 0.000 -0.211) 3.346 3.803 ( -2.215 0.000 2.779) 3.554 3.935 ( 0.069 0.000 -2.557) 2.557 3.960 ( 1.527 0.000 -2.499) 2.929 3.961 ( 4.724 0.000 4.784) 6.723 4.241 ( 6.997 0.000 7.080) 9.954 4.434 ( 0.260 0.000 0.425) 0.498 4.506 ( -1.467 0.000 0.535) 1.561 4.576 ( 0.967 0.000 0.984) 1.380 4.710 ( -3.831 0.000 3.400) 5.122 4.815 ( -1.890 0.000 -3.202) 3.718 5.315 ( 0.349 0.000 0.827) 0.897 5.395 ( 0.752 0.000 -3.649) 3.726 5.699 ( 7.401 0.000 2.412) 7.785 5.944 ( 0.340 0.000 -0.344) 0.484 6.304 ( 3.627 0.000 -3.079) 4.758 6.770 ( -9.664 0.000 -5.340) 11.041 7.637 ( -1.306 0.000 6.021) 6.161 7.818 ( -1.186 0.000 -1.572) 1.969 11.461 ( 1.240 0.000 0.184) 1.254 11.558 ( 0.513 0.000 -0.140) 0.532 13.416 ( -1.262 0.000 1.684) 2.104 13.540 ( -2.202 0.000 -1.741) 2.808 14.687 ( -1.019 0.000 2.258) 2.477 14.709 ( 1.680 0.000 -2.222) 2.785 16.936 ( 0.573 0.000 -0.583) 0.817 16.949 ( -0.560 0.000 0.335) 0.653 20.695 ( -0.205 0.000 -0.584) 0.619 20.703 ( -0.673 0.000 -0.608) 0.907 20.746 ( 0.830 0.000 0.019) 0.830 20.748 ( 0.015 0.000 0.586) 0.586 21.546 ( 0.144 0.000 0.154) 0.211 21.587 ( -0.864 0.000 -0.422) 0.962 21.652 ( 1.638 0.000 1.955) 2.550 21.699 ( 0.902 0.000 0.456) 1.011 23.263 ( -0.284 0.000 0.449) 0.531 23.274 ( 0.001 0.000 -0.360) 0.360 23.538 ( -0.277 0.000 0.568) 0.632 23.551 ( 0.266 0.000 -0.602) 0.658 28.126 ( 1.730 0.000 -0.343) 1.763 28.286 ( -4.050 0.000 -0.517) 4.083 28.436 ( 0.400 0.000 3.225) 3.249 28.550 ( -2.080 0.000 0.128) 2.084 31.755 ( -0.397 0.000 -0.843) 0.932 31.775 ( -0.957 0.000 -0.844) 1.276 31.811 ( -0.009 0.000 -0.033) 0.034 31.832 ( -0.316 0.000 -0.338) 0.463 35.879 ( 2.526 0.000 6.723) 7.182 36.083 ( 1.507 0.000 -4.802) 5.033 36.359 ( 6.370 0.000 3.238) 7.146 36.556 ( 0.964 0.000 -0.305) 1.011 39.182 ( 4.121 0.000 -2.788) 4.975 39.246 ( -3.314 0.000 3.960) 5.164 40.070 ( 4.236 0.000 11.122) 11.901 40.188 ( 5.379 0.000 -0.139) 5.381 42.807 ( -1.087 0.000 4.266) 4.403 42.883 ( 3.103 0.000 -4.590) 5.541 43.154 ( 3.063 0.000 -0.038) 3.063 43.680 ( -1.124 0.000 -13.181) 13.228 85.230 ( 7.481 0.000 13.050) 15.042 85.351 ( 8.641 0.000 12.497) 15.194 85.528 ( 4.175 0.000 -7.595) 8.667 86.484 ( 6.426 0.000 -20.533) 21.515 ======================= Grid point 179 (89/116) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -4.567 0.000 -0.134) 4.569 0.611 ( 4.465 0.000 -0.309) 4.475 0.755 ( -4.736 0.000 -1.722) 5.039 0.821 ( 4.049 0.000 -7.506) 8.529 1.467 ( 4.812 0.000 6.871) 8.388 1.573 ( -1.670 0.000 -2.998) 3.432 1.612 ( -0.542 0.000 4.256) 4.290 1.694 ( -0.547 0.000 -3.992) 4.030 1.703 ( 6.449 0.000 4.447) 7.834 1.812 ( -9.727 0.000 -7.215) 12.111 1.920 ( 2.378 0.000 0.843) 2.523 1.974 ( -1.722 0.000 -4.324) 4.654 2.579 ( 2.972 0.000 10.731) 11.135 2.603 ( -2.264 0.000 7.150) 7.500 2.738 ( 1.140 0.000 -5.697) 5.810 2.820 ( -5.862 0.000 -11.791) 13.167 3.333 ( -0.132 0.000 0.121) 0.179 3.364 ( 1.511 0.000 -2.440) 2.870 3.581 ( 2.559 0.000 1.854) 3.160 3.610 ( -1.144 0.000 -1.197) 1.656 3.693 ( 0.660 0.000 1.874) 1.987 3.701 ( 0.821 0.000 1.843) 2.018 3.777 ( -2.674 0.000 3.135) 4.121 3.863 ( -0.154 0.000 -4.772) 4.775 4.010 ( -1.893 0.000 0.921) 2.105 4.020 ( 3.497 0.000 -0.040) 3.498 4.429 ( 2.174 0.000 3.392) 4.029 4.453 ( 1.067 0.000 0.240) 1.093 4.519 ( 5.064 0.000 1.537) 5.292 4.557 ( -3.813 0.000 -1.716) 4.181 4.694 ( -1.279 0.000 3.622) 3.841 4.765 ( 0.632 0.000 -3.429) 3.486 5.335 ( -0.019 0.000 1.785) 1.786 5.376 ( -0.069 0.000 -2.304) 2.305 5.854 ( 5.782 0.000 2.232) 6.198 5.889 ( -5.271 0.000 -1.392) 5.452 6.421 ( 9.524 0.000 1.598) 9.658 6.491 ( -12.252 0.000 -5.543) 13.448 7.708 ( 2.474 0.000 4.504) 5.139 7.782 ( -0.480 0.000 -2.991) 3.030 11.507 ( 2.183 0.000 1.390) 2.588 11.538 ( -1.685 0.000 -1.650) 2.359 13.430 ( 0.650 0.000 2.805) 2.879 13.485 ( -1.202 0.000 -2.538) 2.808 14.680 ( -1.571 0.000 1.963) 2.514 14.720 ( 1.562 0.000 -2.063) 2.588 16.938 ( -0.811 0.000 0.264) 0.853 16.944 ( 0.744 0.000 -0.363) 0.828 20.687 ( -0.065 0.000 -0.193) 0.203 20.690 ( -0.121 0.000 -0.431) 0.448 20.750 ( -0.343 0.000 0.471) 0.582 20.758 ( 0.521 0.000 -0.320) 0.612 21.558 ( 0.793 0.000 0.372) 0.876 21.566 ( -0.838 0.000 -0.454) 0.953 21.690 ( 0.530 0.000 1.489) 1.581 21.709 ( 0.046 0.000 -0.386) 0.388 23.263 ( -0.147 0.000 0.442) 0.466 23.271 ( 0.143 0.000 -0.399) 0.424 23.538 ( -0.284 0.000 0.594) 0.658 23.550 ( 0.259 0.000 -0.600) 0.654 28.182 ( 3.747 0.000 0.781) 3.827 28.200 ( -3.983 0.000 -0.993) 4.105 28.474 ( 0.910 0.000 2.799) 2.944 28.514 ( -1.027 0.000 -1.156) 1.546 31.749 ( 0.428 0.000 -0.366) 0.563 31.750 ( -0.816 0.000 -0.405) 0.911 31.818 ( 0.493 0.000 0.072) 0.499 31.821 ( -0.473 0.000 -0.273) 0.547 35.950 ( -0.317 0.000 5.524) 5.533 36.051 ( 0.365 0.000 -4.628) 4.643 36.493 ( 4.256 0.000 2.284) 4.830 36.530 ( -3.081 0.000 -1.457) 3.408 39.198 ( -4.797 0.000 2.830) 5.570 39.249 ( 4.942 0.000 -2.239) 5.426 40.171 ( -2.322 0.000 7.653) 7.998 40.279 ( 5.262 0.000 -2.625) 5.880 42.815 ( -2.050 0.000 3.924) 4.427 42.901 ( 2.914 0.000 -4.605) 5.449 43.279 ( 5.275 0.000 7.199) 8.925 43.496 ( -5.046 0.000 -14.443) 15.299 85.343 ( 0.687 0.000 6.496) 6.532 85.487 ( -0.521 0.000 -8.128) 8.145 85.762 ( 7.866 0.000 25.698) 26.875 86.315 ( -1.131 0.000 -28.651) 28.673 ======================= Grid point 180 (90/116) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -5.989 0.000 1.705) 6.227 0.615 ( -8.984 0.000 -0.961) 9.035 0.711 ( 4.040 0.000 2.991) 5.027 0.838 ( 2.277 0.000 -2.625) 3.475 1.416 ( -9.616 0.000 -7.152) 11.984 1.536 ( -2.030 0.000 3.526) 4.069 1.613 ( -3.964 0.000 -2.034) 4.455 1.662 ( -0.991 0.000 -1.778) 2.035 1.677 ( 3.054 0.000 4.307) 5.280 1.885 ( 3.884 0.000 6.303) 7.404 1.902 ( -1.589 0.000 -3.127) 3.507 1.982 ( 4.531 0.000 1.378) 4.736 2.627 ( -3.979 0.000 -7.051) 8.097 2.651 ( 0.070 0.000 5.725) 5.725 2.687 ( 1.982 0.000 -1.296) 2.368 2.826 ( 7.367 0.000 10.196) 12.579 3.329 ( -0.795 0.000 0.618) 1.007 3.364 ( 1.404 0.000 -2.769) 3.104 3.568 ( -1.389 0.000 -2.519) 2.876 3.605 ( -2.144 0.000 -0.291) 2.163 3.706 ( 0.437 0.000 -0.482) 0.650 3.709 ( 0.429 0.000 -0.270) 0.507 3.836 ( 3.955 0.000 6.129) 7.295 3.861 ( 2.914 0.000 -3.109) 4.261 3.950 ( -4.051 0.000 -0.342) 4.065 4.049 ( -0.423 0.000 -3.566) 3.591 4.369 ( -7.260 0.000 -5.431) 9.066 4.434 ( -0.305 0.000 0.514) 0.598 4.515 ( 1.790 0.000 -0.423) 1.840 4.618 ( 1.964 0.000 -2.994) 3.581 4.735 ( 1.867 0.000 4.840) 5.187 4.776 ( 3.400 0.000 -3.204) 4.672 5.335 ( -1.913 0.000 2.421) 3.086 5.344 ( -1.074 0.000 -2.028) 2.295 5.742 ( -7.726 0.000 -1.917) 7.960 5.929 ( 0.092 0.000 1.125) 1.128 6.271 ( -6.980 0.000 -0.244) 6.985 6.665 ( 11.554 0.000 4.890) 12.546 7.751 ( 1.507 0.000 -5.211) 5.424 7.786 ( 2.360 0.000 1.723) 2.922 11.479 ( -2.367 0.000 -1.600) 2.857 11.548 ( 0.802 0.000 0.801) 1.134 13.455 ( 0.395 0.000 -2.163) 2.199 13.490 ( 2.478 0.000 3.266) 4.099 14.667 ( -1.672 0.000 2.005) 2.611 14.730 ( 1.420 0.000 -2.075) 2.514 16.925 ( -0.772 0.000 0.421) 0.879 16.955 ( 0.643 0.000 -0.293) 0.706 20.690 ( 0.269 0.000 -0.096) 0.285 20.692 ( 0.569 0.000 0.390) 0.690 20.744 ( -0.634 0.000 0.238) 0.677 20.760 ( 0.055 0.000 -0.549) 0.551 21.551 ( -0.328 0.000 -0.313) 0.453 21.579 ( 0.967 0.000 0.394) 1.044 21.689 ( -1.274 0.000 -1.596) 2.042 21.699 ( -0.567 0.000 0.526) 0.773 23.266 ( 0.021 0.000 0.427) 0.427 23.272 ( 0.280 0.000 -0.417) 0.502 23.538 ( -0.276 0.000 0.625) 0.684 23.550 ( 0.263 0.000 -0.579) 0.636 28.128 ( -2.687 0.000 -0.473) 2.728 28.272 ( 4.586 0.000 0.905) 4.674 28.489 ( -0.262 0.000 -2.035) 2.052 28.529 ( 2.481 0.000 2.343) 3.412 31.743 ( 0.155 0.000 0.335) 0.369 31.763 ( 0.948 0.000 0.303) 0.995 31.812 ( -0.238 0.000 -0.143) 0.278 31.827 ( 0.283 0.000 0.156) 0.323 35.984 ( -1.317 0.000 5.212) 5.376 36.009 ( -0.378 0.000 -5.912) 5.924 36.419 ( -6.092 0.000 -2.781) 6.696 36.547 ( -0.120 0.000 0.728) 0.738 39.129 ( -4.748 0.000 2.593) 5.410 39.314 ( 4.059 0.000 -2.810) 4.937 40.153 ( -4.414 0.000 3.498) 5.632 40.299 ( 1.006 0.000 -10.073) 10.124 42.801 ( -2.989 0.000 3.582) 4.666 42.902 ( 1.992 0.000 -5.253) 5.618 43.238 ( -8.584 0.000 -10.265) 13.381 43.442 ( 2.827 0.000 10.315) 10.695 85.384 ( -2.416 0.000 -6.721) 7.142 85.390 ( -2.247 0.000 6.258) 6.649 85.877 ( -14.470 0.000 -35.843) 38.654 86.053 ( -0.634 0.000 22.314) 22.323 ======================= Grid point 181 (91/116) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( -5.086 0.000 6.677) 8.394 0.425 ( -8.846 0.000 3.597) 9.550 0.797 ( -0.929 0.000 9.072) 9.119 0.858 ( 1.161 0.000 0.011) 1.161 1.211 ( -5.931 0.000 -1.932) 6.237 1.499 ( -4.165 0.000 2.032) 4.634 1.545 ( -1.950 0.000 -2.391) 3.086 1.660 ( 1.683 0.000 0.824) 1.874 1.761 ( 2.720 0.000 1.118) 2.941 1.866 ( 0.002 0.000 -1.646) 1.646 1.920 ( -2.871 0.000 2.906) 4.085 2.119 ( 5.277 0.000 1.916) 5.614 2.515 ( -0.345 0.000 -5.804) 5.814 2.693 ( 1.914 0.000 -5.141) 5.485 2.725 ( -0.247 0.000 7.505) 7.510 3.085 ( 6.418 0.000 6.639) 9.234 3.315 ( -1.308 0.000 0.858) 1.565 3.424 ( 7.125 0.000 4.543) 8.451 3.474 ( -5.525 0.000 -5.686) 7.928 3.515 ( -5.781 0.000 0.224) 5.785 3.700 ( -0.954 0.000 -1.179) 1.516 3.735 ( 0.769 0.000 1.962) 2.107 3.837 ( -5.978 0.000 -5.742) 8.290 3.837 ( -6.946 0.000 -1.135) 7.038 3.958 ( 1.906 0.000 -4.439) 4.830 3.980 ( 5.689 0.000 3.077) 6.468 4.228 ( -0.949 0.000 -3.883) 3.997 4.444 ( 0.506 0.000 -0.972) 1.096 4.554 ( 2.756 0.000 -0.685) 2.840 4.576 ( -0.994 0.000 -2.394) 2.592 4.812 ( 1.393 0.000 3.695) 3.949 4.822 ( 3.855 0.000 -2.941) 4.849 5.315 ( -3.209 0.000 4.167) 5.260 5.317 ( -0.224 0.000 -0.701) 0.736 5.599 ( -4.691 0.000 -1.513) 4.929 5.895 ( -3.756 0.000 0.720) 3.825 6.219 ( -1.347 0.000 4.188) 4.399 6.867 ( 4.370 0.000 1.680) 4.682 7.771 ( 6.284 0.000 -4.517) 7.739 7.825 ( 0.828 0.000 1.335) 1.571 11.446 ( -0.145 0.000 0.510) 0.530 11.548 ( -0.784 0.000 -0.702) 1.052 13.461 ( 1.770 0.000 -1.120) 2.095 13.571 ( 3.091 0.000 1.851) 3.603 14.653 ( -1.741 0.000 2.028) 2.673 14.728 ( 0.444 0.000 -2.787) 2.822 16.918 ( -0.486 0.000 0.720) 0.868 16.961 ( 0.325 0.000 -0.409) 0.522 20.694 ( 0.023 0.000 0.011) 0.026 20.712 ( 0.768 0.000 0.419) 0.875 20.733 ( -0.489 0.000 0.004) 0.489 20.753 ( -0.105 0.000 -0.530) 0.541 21.550 ( 0.458 0.000 -0.052) 0.461 21.598 ( 0.631 0.000 0.258) 0.682 21.635 ( -2.303 0.000 -1.979) 3.037 21.682 ( -1.175 0.000 -0.229) 1.197 23.271 ( 0.102 0.000 0.340) 0.355 23.274 ( 0.348 0.000 -0.426) 0.550 23.539 ( -0.303 0.000 0.616) 0.686 23.549 ( 0.256 0.000 -0.567) 0.622 28.097 ( -0.599 0.000 0.962) 1.133 28.359 ( 3.744 0.000 -0.088) 3.745 28.461 ( -0.342 0.000 -2.706) 2.728 28.598 ( 2.814 0.000 -0.008) 2.814 31.760 ( 1.109 0.000 0.773) 1.352 31.783 ( 0.627 0.000 0.382) 0.734 31.815 ( 0.549 0.000 0.434) 0.700 31.830 ( -0.240 0.000 0.349) 0.424 35.878 ( -7.321 0.000 -9.714) 12.163 35.971 ( -5.432 0.000 3.275) 6.343 36.288 ( -3.694 0.000 -1.989) 4.195 36.513 ( -3.161 0.000 0.029) 3.161 39.080 ( -2.965 0.000 3.446) 4.546 39.343 ( 2.332 0.000 -4.111) 4.726 40.059 ( -12.911 0.000 -15.872) 20.460 40.081 ( -5.166 0.000 0.700) 5.213 42.780 ( -2.696 0.000 4.194) 4.985 42.882 ( 1.345 0.000 -5.657) 5.814 43.100 ( 0.497 0.000 4.020) 4.051 43.565 ( -0.091 0.000 10.509) 10.509 85.153 ( -22.147 0.000 -23.320) 32.161 85.330 ( -2.257 0.000 -4.261) 4.822 85.362 ( -6.015 0.000 4.506) 7.516 86.146 ( -8.490 0.000 16.325) 18.401 ======================= Grid point 182 (92/116) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -1.333 0.000 10.776) 10.858 0.483 ( 5.319 0.000 9.514) 10.900 0.876 ( -0.845 0.000 14.022) 14.048 0.885 ( 2.092 0.000 -0.523) 2.156 1.140 ( -0.927 0.000 0.106) 0.933 1.430 ( -3.813 0.000 0.515) 3.848 1.501 ( -0.453 0.000 -1.583) 1.646 1.720 ( 2.214 0.000 1.916) 2.929 1.792 ( -0.660 0.000 -1.032) 1.225 1.844 ( -4.698 0.000 -1.977) 5.097 1.883 ( 3.159 0.000 0.200) 3.165 2.141 ( -2.822 0.000 -2.056) 3.491 2.515 ( 1.728 0.000 -1.431) 2.243 2.641 ( -2.297 0.000 -8.763) 9.059 2.767 ( -0.082 0.000 3.571) 3.572 2.942 ( -14.131 0.000 -1.930) 14.262 3.301 ( -1.267 0.000 2.998) 3.255 3.411 ( 3.293 0.000 -0.810) 3.391 3.439 ( -2.585 0.000 2.331) 3.481 3.634 ( -1.125 0.000 -2.224) 2.492 3.660 ( -3.801 0.000 -3.990) 5.511 3.662 ( -5.555 0.000 -1.330) 5.712 3.797 ( 14.631 0.000 7.427) 16.408 3.820 ( 1.341 0.000 5.146) 5.318 4.011 ( 4.733 0.000 -3.119) 5.668 4.079 ( 2.333 0.000 0.991) 2.535 4.252 ( 3.831 0.000 -0.171) 3.835 4.409 ( -1.919 0.000 -2.289) 2.987 4.595 ( 3.274 0.000 0.988) 3.420 4.615 ( 4.051 0.000 0.130) 4.053 4.842 ( 0.922 0.000 -3.129) 3.262 4.846 ( -1.049 0.000 2.126) 2.371 5.301 ( -2.447 0.000 4.993) 5.561 5.313 ( 0.509 0.000 -0.561) 0.757 5.554 ( 0.692 0.000 -0.178) 0.714 5.802 ( -6.061 0.000 -1.430) 6.228 6.280 ( 2.340 0.000 7.184) 7.556 6.831 ( -5.248 0.000 -5.663) 7.721 7.884 ( 3.371 0.000 3.656) 4.973 7.898 ( 8.247 0.000 -1.114) 8.321 11.466 ( 0.368 0.000 1.194) 1.249 11.518 ( -0.779 0.000 -1.756) 1.921 13.497 ( 2.489 0.000 -0.028) 2.489 13.612 ( 0.193 0.000 -0.947) 0.967 14.639 ( -1.647 0.000 2.002) 2.592 14.697 ( -0.465 0.000 -2.931) 2.968 16.921 ( -0.120 0.000 0.970) 0.977 16.959 ( -0.036 0.000 -0.671) 0.672 20.689 ( -0.351 0.000 -0.085) 0.361 20.712 ( -0.605 0.000 -0.630) 0.874 20.730 ( 0.065 0.000 0.039) 0.076 20.750 ( -0.057 0.000 -0.394) 0.399 21.565 ( 0.937 0.000 0.191) 0.956 21.594 ( -0.364 0.000 -0.234) 0.433 21.605 ( -0.118 0.000 0.036) 0.123 21.654 ( -1.340 0.000 -0.631) 1.481 23.274 ( -0.125 0.000 0.247) 0.277 23.277 ( 0.336 0.000 -0.417) 0.535 23.538 ( -0.356 0.000 0.586) 0.686 23.549 ( 0.255 0.000 -0.571) 0.625 28.125 ( 1.549 0.000 2.840) 3.235 28.370 ( -1.195 0.000 -3.753) 3.938 28.459 ( 2.306 0.000 -0.650) 2.395 28.595 ( -2.226 0.000 -2.555) 3.389 31.794 ( 1.587 0.000 0.740) 1.751 31.797 ( 0.887 0.000 -0.003) 0.887 31.824 ( -0.833 0.000 0.522) 0.982 31.832 ( 0.265 0.000 0.733) 0.780 35.610 ( -9.396 0.000 -3.651) 10.080 35.823 ( -9.793 0.000 -1.402) 9.893 36.273 ( 1.660 0.000 1.312) 2.116 36.447 ( -3.495 0.000 -0.481) 3.528 39.091 ( -0.067 0.000 5.164) 5.164 39.327 ( 0.667 0.000 -5.364) 5.405 39.726 ( -8.195 0.000 -1.329) 8.302 39.968 ( -6.148 0.000 -1.777) 6.400 42.765 ( -2.939 0.000 3.938) 4.914 42.856 ( 1.482 0.000 -5.583) 5.777 43.348 ( 16.798 0.000 6.270) 17.930 43.625 ( -3.430 0.000 9.114) 9.738 84.810 ( 2.918 0.000 0.878) 3.047 85.248 ( -9.054 0.000 2.066) 9.287 85.372 ( 7.334 0.000 2.146) 7.642 86.027 ( -16.285 0.000 8.996) 18.605 ======================= Grid point 183 (93/116) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.934 4.914 4.892) 6.996 0.720 ( 1.549 10.863 2.117) 11.175 0.980 ( 4.801 5.630 2.185) 7.715 1.038 ( -2.346 12.190 -2.351) 12.634 1.285 ( 3.334 0.016 4.974) 5.988 1.336 ( -0.468 -4.172 -0.570) 4.237 1.500 ( 6.388 -0.075 4.629) 7.889 1.627 ( -7.893 1.015 -6.280) 10.138 1.702 ( 0.896 -5.114 2.257) 5.662 1.744 ( -1.964 -5.211 -1.847) 5.868 2.065 ( 3.891 8.084 2.206) 9.239 2.130 ( -3.607 8.839 -4.214) 10.436 2.480 ( -4.398 -0.536 2.156) 4.928 2.517 ( -0.226 0.800 -1.734) 1.923 2.824 ( 1.564 1.636 -0.127) 2.267 2.838 ( 0.088 1.796 -1.205) 2.165 3.321 ( 1.137 -4.868 4.952) 7.037 3.402 ( 0.733 -4.858 -2.333) 5.439 3.479 ( 2.351 -0.034 1.755) 2.934 3.501 ( -2.562 -4.486 1.312) 5.331 3.525 ( -1.444 -2.156 -1.769) 3.140 3.579 ( -0.593 -3.100 -4.010) 5.104 3.847 ( -0.134 -3.565 5.332) 6.415 3.956 ( 4.051 -5.892 -4.589) 8.496 4.058 ( 1.266 -0.175 1.042) 1.649 4.078 ( -0.720 0.177 -0.836) 1.118 4.312 ( 1.477 -1.091 0.642) 1.945 4.332 ( -1.584 -1.512 -1.301) 2.547 4.691 ( 3.153 1.030 0.424) 3.343 4.693 ( -0.125 1.582 0.228) 1.604 4.785 ( -5.654 -0.320 1.319) 5.814 4.827 ( 3.185 -0.552 -2.562) 4.125 5.278 ( -1.240 -2.297 2.987) 3.967 5.325 ( 2.845 -2.614 -1.571) 4.171 5.631 ( 4.121 1.200 1.791) 4.651 5.661 ( -5.271 0.659 -1.107) 5.427 6.501 ( 6.093 5.918 9.259) 12.565 6.684 ( -6.800 5.548 -8.984) 12.559 7.879 ( 0.968 -8.403 2.459) 8.808 7.923 ( 1.201 -7.084 -1.938) 7.442 11.555 ( -0.585 8.631 1.348) 8.755 11.585 ( 0.119 8.611 -1.648) 8.768 13.364 ( 2.032 -15.762 1.982) 16.016 13.402 ( -2.632 -15.150 -1.721) 15.473 14.841 ( -0.862 18.786 2.165) 18.930 14.888 ( 0.870 19.007 -2.532) 19.195 16.880 ( 0.065 -7.116 0.041) 7.117 16.889 ( -0.279 -4.848 -1.160) 4.992 20.687 ( 0.311 0.043 0.020) 0.315 20.692 ( -0.449 -0.127 -0.509) 0.691 20.737 ( 0.205 0.227 0.166) 0.348 20.742 ( -0.362 0.156 -0.323) 0.510 21.562 ( -0.026 -1.652 0.295) 1.678 21.570 ( 0.224 -1.596 -0.432) 1.668 21.634 ( 0.800 1.404 0.315) 1.646 21.641 ( -0.807 1.230 -0.434) 1.534 23.276 ( -0.284 0.441 0.419) 0.671 23.285 ( 0.203 0.514 -0.452) 0.714 23.532 ( -0.267 -0.448 0.545) 0.754 23.543 ( 0.266 -0.534 -0.538) 0.803 28.199 ( 2.269 0.004 3.849) 4.468 28.279 ( -2.650 -0.747 -4.126) 4.960 28.484 ( -1.502 -1.967 0.347) 2.499 28.488 ( 0.188 -1.682 -0.169) 1.701 31.809 ( -1.133 0.015 0.387) 1.198 31.813 ( 0.991 -0.183 -0.058) 1.010 31.829 ( 0.238 0.067 0.428) 0.494 31.833 ( 0.242 0.150 0.078) 0.296 35.632 ( 5.439 4.947 3.284) 8.052 35.709 ( -5.989 6.389 -4.602) 9.893 36.330 ( 2.994 -1.242 1.268) 3.480 36.352 ( -2.587 -2.193 -1.017) 3.540 39.175 ( 0.727 2.312 6.164) 6.623 39.298 ( -1.048 2.323 -6.001) 6.520 39.725 ( 5.098 -1.996 4.509) 7.093 39.817 ( -4.755 -1.251 -4.685) 6.791 42.757 ( -1.919 0.638 3.911) 4.403 42.842 ( 2.304 -0.039 -4.543) 5.094 43.564 ( -5.986 -2.068 4.369) 7.694 43.637 ( 11.435 -3.878 -2.917) 12.422 85.063 ( 5.342 0.153 0.043) 5.345 85.079 ( -1.091 0.921 -1.579) 2.129 85.643 ( 15.758 -5.364 3.818) 17.078 85.690 ( -10.539 -3.891 -1.071) 11.285 ======================= Grid point 184 (94/116) ======================= q-point: ( 0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 1.156 9.487 -3.504) 10.179 0.752 ( 2.684 6.366 -1.069) 6.991 0.945 ( -2.176 9.355 -4.055) 10.426 1.094 ( 4.551 9.245 1.197) 10.374 1.301 ( -2.330 3.072 -7.049) 8.035 1.382 ( 3.789 -4.818 0.048) 6.129 1.436 ( -2.027 -1.077 -0.443) 2.337 1.673 ( -1.993 -6.510 -1.147) 6.904 1.718 ( 2.991 -2.217 3.087) 4.836 1.766 ( 5.989 -1.375 4.306) 7.503 2.014 ( -4.188 8.456 -3.718) 10.142 2.158 ( 3.124 6.094 3.035) 7.491 2.452 ( -1.909 -0.280 3.910) 4.360 2.545 ( 0.747 2.516 3.201) 4.140 2.802 ( 1.154 -0.764 -2.363) 2.739 2.951 ( 8.624 1.115 0.005) 8.696 3.337 ( -1.511 -3.601 -1.547) 4.200 3.372 ( -1.230 -5.737 -0.430) 5.883 3.464 ( -0.688 -1.657 -1.408) 2.281 3.506 ( 0.691 -6.191 2.517) 6.718 3.577 ( 2.704 -0.250 3.950) 4.793 3.608 ( 5.467 -4.020 -1.928) 7.055 3.821 ( -6.267 -3.176 -0.264) 7.031 3.905 ( -1.632 -4.745 -6.830) 8.475 4.001 ( -3.753 2.504 0.201) 4.516 4.085 ( -0.603 -0.328 -0.587) 0.903 4.279 ( -2.946 0.642 -0.774) 3.113 4.356 ( 1.946 -1.365 0.938) 2.556 4.601 ( -5.672 -0.680 -0.802) 5.769 4.648 ( -5.399 1.758 -0.915) 5.751 4.776 ( -0.060 -0.266 2.877) 2.890 4.871 ( 1.600 -1.094 -1.751) 2.612 5.264 ( -0.256 -2.615 0.642) 2.705 5.392 ( 4.608 -1.681 -3.287) 5.905 5.574 ( -1.799 2.624 0.231) 3.190 5.764 ( 6.389 0.181 1.820) 6.646 6.492 ( -4.561 5.994 -7.788) 10.834 6.726 ( 7.639 4.275 8.745) 12.373 7.811 ( -7.634 -7.813 -0.760) 10.950 7.888 ( -2.866 -6.531 -2.438) 7.538 11.556 ( -0.029 7.733 0.669) 7.761 11.586 ( 0.436 9.163 -0.112) 9.174 13.318 ( -3.597 -15.742 -0.663) 16.161 13.427 ( 1.371 -14.698 1.550) 14.843 14.852 ( -0.139 18.748 2.239) 18.882 14.890 ( 1.524 18.635 -2.236) 18.831 16.874 ( -0.383 -6.668 0.029) 6.679 16.888 ( 0.168 -6.065 0.204) 6.071 20.688 ( 0.296 -0.297 -0.261) 0.494 20.701 ( 0.948 0.058 0.392) 1.028 20.734 ( -0.236 0.227 -0.121) 0.349 20.745 ( 0.251 0.248 0.338) 0.489 21.553 ( -0.693 -1.324 -0.030) 1.495 21.574 ( 0.348 -1.405 -0.203) 1.461 21.626 ( -0.390 1.103 -0.244) 1.196 21.655 ( 0.997 1.121 0.358) 1.542 23.273 ( -0.386 0.495 0.437) 0.765 23.284 ( 0.083 0.432 -0.314) 0.540 23.533 ( -0.213 -0.435 0.536) 0.722 23.544 ( 0.323 -0.540 -0.534) 0.825 28.194 ( -2.350 0.220 -3.456) 4.185 28.278 ( 1.870 -0.861 4.121) 4.607 28.431 ( -2.953 -1.189 0.961) 3.325 28.526 ( 1.328 -2.322 1.106) 2.895 31.793 ( -0.738 0.063 0.366) 0.826 31.811 ( -1.248 0.301 -0.430) 1.354 31.831 ( 0.774 -0.115 -0.122) 0.792 31.842 ( 0.024 -0.123 -0.438) 0.455 35.621 ( 1.582 4.010 -1.423) 4.539 35.846 ( 11.139 4.793 2.784) 12.442 36.299 ( -1.668 -0.878 -1.458) 2.383 36.409 ( 4.022 -2.145 0.748) 4.619 39.185 ( -1.838 0.787 -0.983) 2.228 39.289 ( 1.898 5.464 1.699) 6.029 39.704 ( -0.254 -3.887 -2.583) 4.674 39.916 ( 8.267 -1.148 2.712) 8.776 42.765 ( -1.028 0.668 3.713) 3.910 42.852 ( 3.057 0.100 -4.479) 5.423 43.411 ( -9.888 -0.464 -1.514) 10.014 43.756 ( 5.755 -5.137 -7.602) 10.830 84.877 ( -6.049 2.439 -2.897) 7.136 85.288 ( 8.640 -1.690 -2.080) 9.046 85.410 ( -6.628 -1.006 -3.493) 7.559 86.104 ( 23.132 -8.537 -6.068) 25.393 ======================= Grid point 185 (95/116) ======================= q-point: ( 0.25 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 2.410 11.179 -7.870) 13.883 0.774 ( 2.373 9.707 -4.558) 10.983 0.912 ( 0.919 6.937 -1.996) 7.277 1.093 ( -0.940 11.065 -8.482) 13.974 1.250 ( 1.374 9.446 2.953) 9.992 1.427 ( 1.282 -5.581 1.953) 6.050 1.502 ( 4.963 -3.652 -0.885) 6.225 1.627 ( -1.293 -5.628 -0.804) 5.830 1.726 ( -0.823 -2.891 0.285) 3.019 1.928 ( -0.991 5.903 -0.979) 6.065 1.932 ( 5.216 -1.229 -0.552) 5.387 2.216 ( -0.116 5.794 0.409) 5.810 2.431 ( -2.900 0.410 2.697) 3.981 2.585 ( -1.114 2.384 6.812) 7.302 2.805 ( 1.536 -3.127 -5.174) 6.238 3.115 ( 4.783 -0.913 0.891) 4.951 3.304 ( -0.864 -3.561 -1.686) 4.033 3.359 ( 1.095 -3.632 1.634) 4.131 3.449 ( 0.264 -7.929 -0.316) 7.940 3.515 ( -5.854 -7.370 -4.000) 10.227 3.588 ( -0.653 -3.382 2.768) 4.419 3.702 ( 3.883 -3.066 -0.154) 4.950 3.766 ( 4.416 -0.924 -0.933) 4.607 3.821 ( 0.248 -0.625 -1.774) 1.897 3.973 ( -1.192 4.817 2.745) 5.671 4.039 ( -2.411 0.563 -2.431) 3.470 4.215 ( -2.683 3.952 1.678) 5.063 4.403 ( 1.902 -1.229 0.902) 2.437 4.516 ( -2.460 -3.715 -0.060) 4.456 4.560 ( -3.375 1.194 -0.122) 3.582 4.759 ( -4.029 -0.581 2.819) 4.952 4.848 ( -1.398 -2.231 -2.544) 3.661 5.289 ( 2.039 -1.237 0.164) 2.390 5.423 ( 2.360 0.358 -3.924) 4.593 5.601 ( 3.668 3.405 1.265) 5.163 5.882 ( 4.465 -0.944 0.440) 4.585 6.375 ( -1.201 5.694 -5.501) 8.007 6.891 ( 2.012 3.102 2.934) 4.720 7.642 ( -8.568 -6.107 1.756) 10.668 7.803 ( -2.690 -6.073 -2.288) 7.025 11.552 ( -0.295 8.280 -0.935) 8.337 11.605 ( 0.971 7.975 1.147) 8.116 13.257 ( -2.497 -16.069 0.200) 16.263 13.437 ( -1.261 -14.000 0.160) 14.058 14.874 ( 0.129 18.382 2.122) 18.504 14.901 ( 1.521 18.334 -1.758) 18.481 16.870 ( -0.186 -7.028 0.304) 7.037 16.890 ( -0.254 -5.970 0.295) 5.983 20.692 ( 0.242 -0.459 -0.332) 0.615 20.724 ( 0.356 -0.512 0.213) 0.659 20.727 ( 0.044 0.801 -0.033) 0.803 20.752 ( 0.140 0.518 0.337) 0.634 21.544 ( -0.251 -0.600 0.103) 0.659 21.586 ( 0.816 -1.046 0.363) 1.375 21.621 ( 0.059 0.801 0.291) 0.854 21.678 ( 0.951 0.466 0.497) 1.170 23.270 ( -0.359 0.469 0.420) 0.725 23.281 ( -0.055 0.393 -0.275) 0.482 23.533 ( -0.220 -0.411 0.521) 0.699 23.545 ( 0.308 -0.536 -0.541) 0.822 28.138 ( -0.629 0.973 -1.975) 2.290 28.328 ( -0.769 -1.136 2.348) 2.720 28.393 ( -1.613 -1.335 1.867) 2.805 28.545 ( -0.685 -2.773 1.132) 3.072 31.780 ( -1.113 0.134 -0.945) 1.466 31.789 ( -0.233 0.288 0.106) 0.386 31.826 ( -0.923 -0.257 -0.762) 1.224 31.839 ( 0.191 0.093 -0.273) 0.346 35.722 ( 6.798 0.910 3.038) 7.501 36.059 ( 7.944 3.122 0.871) 8.580 36.271 ( 0.341 0.269 -0.135) 0.455 36.488 ( 3.622 -2.222 0.284) 4.259 39.161 ( 1.549 1.188 -2.537) 3.201 39.325 ( -1.441 6.556 3.744) 7.686 39.780 ( 7.702 -6.169 3.292) 10.403 40.079 ( 6.020 -0.622 2.717) 6.634 42.785 ( -0.440 0.315 3.673) 3.713 42.868 ( 2.931 -0.172 -4.649) 5.498 43.221 ( -5.425 1.673 -4.322) 7.135 43.736 ( 1.261 -4.783 -9.870) 11.040 84.897 ( 8.391 1.811 5.217) 10.045 85.269 ( -1.816 -2.232 0.623) 2.944 85.472 ( 8.502 0.890 -5.132) 9.971 86.362 ( 13.492 -8.932 -12.981) 20.744 ======================= Grid point 186 (96/116) ======================= q-point: ( 0.38 0.14 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 4.157 10.396 -4.696) 12.141 0.776 ( 2.360 5.599 -3.450) 6.987 0.910 ( 1.464 10.955 -3.574) 11.616 0.988 ( -3.359 16.811 -5.134) 17.896 1.330 ( 3.435 4.404 4.457) 7.146 1.492 ( 3.361 -4.403 3.604) 6.609 1.552 ( 1.242 -4.614 -1.727) 5.081 1.620 ( 0.637 -2.202 1.257) 2.614 1.718 ( 0.570 -1.481 -2.007) 2.559 1.908 ( 0.005 4.230 -0.640) 4.279 1.981 ( 1.112 -1.749 -3.907) 4.423 2.132 ( -5.027 7.308 -4.694) 10.036 2.447 ( -0.776 -0.715 7.079) 7.158 2.628 ( -0.815 2.835 6.904) 7.508 2.742 ( -1.233 -4.280 -7.768) 8.955 3.066 ( -4.451 1.344 -8.066) 9.310 3.277 ( -0.575 -5.367 0.129) 5.399 3.370 ( -1.411 -2.981 -3.420) 4.751 3.439 ( 2.038 -6.333 2.853) 7.238 3.498 ( 2.323 -7.013 2.786) 7.896 3.591 ( -1.348 -6.917 2.252) 7.398 3.716 ( -0.345 -0.643 -1.385) 1.565 3.810 ( 1.442 -0.676 0.194) 1.604 3.912 ( 0.749 -1.572 2.191) 2.799 3.961 ( -0.280 1.082 -2.055) 2.340 4.003 ( 1.474 2.737 1.247) 3.349 4.275 ( 4.813 3.423 5.911) 8.356 4.430 ( 0.591 -0.578 0.064) 0.829 4.502 ( -1.358 -2.730 1.405) 3.357 4.521 ( 0.507 -2.208 -0.329) 2.289 4.706 ( -3.852 -0.991 3.204) 5.107 4.787 ( -1.902 -2.785 -3.130) 4.602 5.333 ( 2.156 1.862 0.759) 2.948 5.422 ( 1.010 2.228 -2.829) 3.740 5.716 ( 6.283 1.602 1.803) 6.730 5.931 ( 0.559 -1.256 -0.666) 1.527 6.353 ( 3.343 5.179 -2.761) 6.754 6.804 ( -9.365 3.421 -4.824) 11.076 7.586 ( -1.213 -5.083 5.771) 7.786 7.752 ( -1.157 -6.399 -1.588) 6.694 11.550 ( 1.060 8.653 -0.108) 8.718 11.625 ( 0.136 6.783 0.132) 6.786 13.234 ( -0.657 -15.750 1.584) 15.843 13.389 ( -2.579 -13.903 -1.860) 14.262 14.889 ( -0.662 18.345 2.031) 18.469 14.913 ( 1.447 18.277 -1.800) 18.422 16.871 ( -0.085 -6.978 0.336) 6.986 16.885 ( -0.328 -6.260 -0.033) 6.269 20.690 ( -0.036 -0.280 -0.389) 0.481 20.706 ( -0.843 0.042 -0.560) 1.013 20.747 ( 0.796 0.274 0.228) 0.872 20.757 ( 0.071 0.539 0.271) 0.608 21.546 ( 0.365 0.027 0.305) 0.477 21.589 ( -0.556 0.077 -0.257) 0.617 21.648 ( 1.385 -0.343 1.756) 2.263 21.698 ( 0.671 -0.137 0.288) 0.743 23.268 ( -0.278 0.445 0.419) 0.672 23.278 ( -0.021 0.374 -0.330) 0.499 23.534 ( -0.248 -0.393 0.518) 0.696 23.545 ( 0.261 -0.515 -0.561) 0.805 28.138 ( 1.661 1.152 -0.341) 2.050 28.283 ( -3.736 -0.242 -0.296) 3.755 28.413 ( 0.217 -2.185 3.107) 3.804 28.524 ( -1.637 -2.511 -0.304) 3.013 31.755 ( -0.432 -0.011 -1.005) 1.094 31.774 ( -1.183 -0.145 -0.724) 1.395 31.812 ( 0.137 0.162 0.013) 0.213 31.835 ( -0.290 0.185 -0.334) 0.479 35.871 ( 4.255 -0.022 4.788) 6.406 36.109 ( -0.130 2.011 -3.499) 4.037 36.353 ( 5.711 -0.666 3.028) 6.498 36.537 ( 1.038 -1.902 -0.221) 2.178 39.198 ( 4.153 1.950 -1.727) 4.902 39.304 ( -3.768 5.087 2.785) 6.916 39.990 ( 7.176 -6.429 7.507) 12.214 40.185 ( 2.519 -1.478 2.203) 3.658 42.811 ( -0.821 0.351 4.008) 4.107 42.881 ( 3.178 -0.197 -4.491) 5.505 43.171 ( 2.382 1.769 -0.256) 2.978 43.634 ( -1.632 -4.288 -11.497) 12.378 85.206 ( 8.135 -1.995 11.900) 14.552 85.326 ( 6.512 -2.236 9.164) 11.462 85.545 ( 4.711 1.493 -5.402) 7.321 86.392 ( 5.384 -8.784 -18.656) 21.312 ======================= Grid point 187 (97/116) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -3.930 2.470 2.118) 5.102 0.802 ( 3.947 0.702 -6.592) 7.715 0.877 ( -4.543 21.490 -0.432) 21.969 0.922 ( 3.306 19.759 -3.923) 20.414 1.444 ( 2.613 -2.667 5.299) 6.482 1.525 ( -1.565 -4.527 -2.439) 5.375 1.610 ( 1.576 -0.671 4.762) 5.061 1.684 ( 5.246 -0.753 3.583) 6.398 1.695 ( -0.120 -0.081 -2.681) 2.685 1.806 ( -8.199 -0.538 -7.285) 10.981 1.972 ( 1.289 4.864 0.860) 5.105 2.022 ( -1.585 5.259 -3.929) 6.753 2.497 ( -1.494 -4.086 8.367) 9.430 2.655 ( 0.694 -5.580 -6.808) 8.830 2.708 ( 1.591 6.239 8.125) 10.367 2.891 ( -4.166 4.183 -9.758) 11.405 3.288 ( 0.382 -4.501 1.756) 4.846 3.338 ( 0.151 -4.062 -2.783) 4.926 3.504 ( 2.536 -6.890 1.436) 7.481 3.519 ( -0.695 -7.124 0.166) 7.159 3.636 ( 2.048 -4.281 3.331) 5.798 3.687 ( -1.528 -2.616 -1.804) 3.526 3.818 ( -0.272 3.240 1.916) 3.774 3.861 ( -1.927 -0.783 -1.959) 2.857 4.009 ( 2.314 0.130 0.299) 2.337 4.023 ( 0.469 0.100 -0.889) 1.010 4.421 ( 3.277 -0.428 3.283) 4.658 4.440 ( -0.417 -0.971 0.838) 1.349 4.492 ( 0.268 -3.023 0.869) 3.157 4.525 ( 0.259 -2.128 -1.936) 2.889 4.680 ( -2.123 -1.737 3.438) 4.399 4.746 ( 1.319 -2.157 -3.097) 3.998 5.374 ( 0.608 3.654 1.436) 3.973 5.407 ( -0.521 2.927 -1.889) 3.522 5.846 ( 4.888 -0.738 1.986) 5.328 5.879 ( -4.807 -0.898 -1.443) 5.099 6.470 ( 9.307 5.004 1.666) 10.697 6.536 ( -11.773 4.604 -5.105) 13.633 7.650 ( 1.964 -5.672 4.275) 7.369 7.720 ( -0.115 -6.029 -2.865) 6.676 11.586 ( 1.927 7.874 0.841) 8.150 11.606 ( -1.638 6.835 -1.020) 7.102 13.262 ( 1.236 -14.901 3.010) 15.252 13.322 ( -1.805 -14.577 -2.846) 14.961 14.886 ( -1.468 18.508 1.933) 18.667 14.925 ( 1.582 18.400 -1.944) 18.570 16.874 ( 0.148 -6.682 0.292) 6.690 16.880 ( -0.017 -6.492 -0.271) 6.498 20.687 ( 0.074 -0.012 -0.118) 0.140 20.690 ( -0.224 0.021 -0.404) 0.462 20.755 ( -0.330 0.381 0.410) 0.649 20.761 ( 0.432 0.269 -0.255) 0.569 21.561 ( 0.605 0.322 0.523) 0.862 21.572 ( -0.581 0.478 -0.516) 0.913 21.684 ( 0.619 -0.582 1.453) 1.683 21.704 ( -0.094 -0.561 -0.476) 0.741 23.267 ( -0.157 0.425 0.424) 0.621 23.275 ( 0.154 0.381 -0.378) 0.559 23.534 ( -0.265 -0.394 0.539) 0.718 23.545 ( 0.246 -0.494 -0.556) 0.783 28.189 ( 2.856 0.665 0.750) 3.026 28.205 ( -3.049 0.638 -0.890) 3.240 28.447 ( 0.633 -2.530 2.873) 3.880 28.491 ( -0.767 -2.247 -1.438) 2.776 31.746 ( -0.841 -0.238 -0.257) 0.911 31.749 ( 0.414 -0.138 -0.499) 0.663 31.820 ( 0.467 0.218 0.092) 0.523 31.824 ( -0.446 0.241 -0.290) 0.584 35.964 ( 0.710 1.425 4.918) 5.170 36.055 ( -0.734 0.471 -4.250) 4.339 36.476 ( 3.667 -1.628 2.260) 4.605 36.513 ( -2.569 -1.681 -1.469) 3.404 39.235 ( -4.959 3.591 2.465) 6.600 39.279 ( 5.047 2.923 -1.913) 6.139 40.130 ( -1.312 -3.938 6.961) 8.104 40.228 ( 3.804 -4.856 -2.447) 6.636 42.820 ( -2.103 0.398 3.780) 4.343 42.903 ( 3.201 0.138 -4.567) 5.579 43.276 ( 4.537 -0.188 6.091) 7.598 43.462 ( -4.801 -3.083 -12.460) 13.705 85.332 ( 1.095 -0.898 6.283) 6.441 85.460 ( -0.367 -2.385 -5.677) 6.169 85.735 ( 7.216 -2.484 20.989) 22.334 86.220 ( -2.515 -8.844 -25.701) 27.296 ======================= Grid point 188 (98/116) ======================= q-point: (-0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -7.158 2.118 4.440) 8.686 0.749 ( -3.969 13.659 -1.367) 14.289 0.861 ( 1.208 7.552 0.528) 7.666 0.955 ( 2.103 21.387 -1.875) 21.572 1.421 ( -6.236 0.236 -4.714) 7.821 1.500 ( -1.033 -4.466 3.393) 5.703 1.555 ( -6.210 -3.290 -2.289) 7.391 1.653 ( -2.823 -1.343 -2.206) 3.826 1.675 ( 1.492 -0.809 2.253) 2.821 1.860 ( 4.322 -0.855 5.470) 7.024 1.949 ( -1.373 4.163 -1.906) 4.780 2.062 ( 5.163 7.353 1.814) 9.166 2.559 ( -0.312 -5.101 7.222) 8.847 2.611 ( 0.838 -2.726 -5.928) 6.579 2.753 ( -1.250 4.282 -5.142) 6.807 2.868 ( 5.065 3.288 10.191) 11.846 3.312 ( -0.166 -2.731 -0.186) 2.742 3.316 ( 0.819 -4.888 -0.478) 4.979 3.484 ( -0.876 -7.665 -1.533) 7.866 3.554 ( -0.807 -4.857 -2.485) 5.515 3.634 ( 0.755 -6.216 -1.667) 6.480 3.688 ( 0.445 -1.569 1.404) 2.152 3.813 ( -2.498 -4.045 0.042) 4.754 3.872 ( 2.552 2.807 3.619) 5.243 3.982 ( -0.623 2.175 -2.855) 3.643 4.056 ( 1.191 0.550 -2.894) 3.177 4.377 ( -5.117 0.991 -4.006) 6.574 4.423 ( -1.169 -1.140 0.643) 1.755 4.509 ( 2.193 -0.607 0.215) 2.286 4.550 ( 1.034 -5.209 -2.683) 5.950 4.708 ( 1.571 -2.673 4.475) 5.444 4.771 ( 3.618 -1.247 -2.992) 4.857 5.356 ( -3.123 1.972 -1.129) 3.862 5.379 ( -1.396 3.047 1.190) 3.557 5.748 ( -6.734 0.590 -1.464) 6.917 5.909 ( -0.518 -1.801 1.454) 2.372 6.324 ( -6.568 5.613 -0.236) 8.643 6.709 ( 11.271 4.386 4.428) 12.879 7.689 ( 1.105 -6.344 -3.634) 7.394 7.725 ( 2.474 -5.697 0.458) 6.228 11.558 ( -1.964 7.862 -0.864) 8.149 11.622 ( 0.869 7.303 0.427) 7.367 13.269 ( -0.564 -15.688 -1.699) 15.789 13.340 ( 3.109 -14.122 2.830) 14.735 14.873 ( -1.672 18.525 1.822) 18.690 14.935 ( 1.303 18.409 -2.098) 18.574 16.879 ( 0.206 -7.138 -0.377) 7.151 16.884 ( 0.768 -5.221 0.018) 5.277 20.687 ( 0.143 -0.107 -0.075) 0.194 20.696 ( 0.727 0.155 0.314) 0.807 20.747 ( -0.715 0.302 0.175) 0.796 20.763 ( 0.061 0.307 -0.360) 0.477 21.553 ( -0.517 0.210 -0.322) 0.644 21.583 ( 0.812 0.329 0.271) 0.918 21.682 ( -1.209 -0.648 -1.507) 2.037 21.695 ( -0.365 -0.315 0.555) 0.735 23.269 ( -0.023 0.371 0.373) 0.527 23.277 ( 0.340 0.448 -0.366) 0.671 23.534 ( -0.268 -0.417 0.569) 0.755 23.544 ( 0.241 -0.489 -0.535) 0.764 28.138 ( -2.544 1.021 -0.310) 2.758 28.273 ( 4.269 0.161 0.668) 4.324 28.464 ( -0.253 -2.445 -1.679) 2.977 28.499 ( 1.953 -2.803 2.020) 3.968 31.739 ( 0.113 -0.258 0.511) 0.584 31.764 ( 1.118 -0.027 0.220) 1.140 31.814 ( -0.296 0.228 -0.179) 0.414 31.829 ( 0.273 0.189 0.171) 0.373 35.943 ( -4.649 -1.600 -0.900) 4.998 36.058 ( 2.147 2.720 0.485) 3.500 36.407 ( -5.504 -1.197 -2.421) 6.131 36.530 ( -0.084 -1.623 0.495) 1.699 39.156 ( -4.989 2.766 2.182) 6.108 39.357 ( 4.671 4.016 -2.302) 6.577 40.073 ( -6.854 -6.903 0.522) 9.742 40.267 ( 1.868 -3.468 -5.833) 7.039 42.802 ( -3.042 0.133 3.423) 4.581 42.908 ( 1.963 0.198 -5.750) 6.079 43.229 ( -7.426 -0.430 -6.835) 10.102 43.433 ( 3.333 -1.029 7.882) 8.620 85.353 ( -3.516 -2.319 -3.818) 5.685 85.388 ( -1.750 -0.664 2.683) 3.271 85.792 ( -14.761 -6.963 -26.906) 31.469 86.010 ( 0.184 -4.617 17.350) 17.955 ======================= Grid point 189 (99/116) ======================= q-point: (-0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -5.465 9.221 7.129) 12.873 0.677 ( -4.722 13.953 4.358) 15.361 0.874 ( -0.965 2.352 1.247) 2.831 0.958 ( -1.779 17.681 4.147) 18.248 1.297 ( -2.698 9.107 -1.380) 9.598 1.453 ( -3.748 -4.313 0.028) 5.714 1.491 ( -2.229 -4.893 -0.211) 5.381 1.609 ( -0.394 -4.903 0.677) 4.965 1.725 ( 1.991 -3.433 0.696) 4.029 1.901 ( -3.121 -1.632 2.460) 4.296 1.937 ( 2.049 6.912 -1.921) 7.460 2.190 ( 4.495 6.740 2.115) 8.373 2.519 ( -0.316 0.354 -5.346) 5.367 2.661 ( -0.094 -5.839 5.693) 8.156 2.721 ( 1.795 2.721 -3.506) 4.787 3.080 ( 5.178 -0.579 6.965) 8.698 3.282 ( -1.362 -3.437 -0.789) 3.780 3.392 ( 5.861 -3.965 4.958) 8.640 3.422 ( -3.989 -4.573 -3.887) 7.206 3.468 ( -3.102 -5.796 -1.356) 6.713 3.657 ( 1.018 -4.908 -3.684) 6.221 3.696 ( -0.636 -1.513 1.682) 2.351 3.727 ( -5.563 -6.743 -0.012) 8.741 3.868 ( -7.071 1.612 -4.037) 8.301 3.977 ( 3.768 -0.294 2.164) 4.355 4.046 ( 1.847 5.484 -3.130) 6.579 4.266 ( -1.074 3.321 -3.313) 4.812 4.417 ( -0.626 -2.030 -0.568) 2.199 4.519 ( 0.746 -4.415 -0.766) 4.542 4.568 ( 3.361 0.833 -0.865) 3.569 4.786 ( 1.797 -2.525 3.728) 4.848 4.815 ( 3.634 -0.874 -2.730) 4.628 5.285 ( -3.402 -0.908 0.613) 3.574 5.362 ( -1.843 1.969 1.936) 3.320 5.623 ( -4.596 2.312 -1.004) 5.242 5.870 ( -4.262 -2.117 1.586) 5.016 6.281 ( -0.727 6.399 3.848) 7.502 6.904 ( 4.542 3.738 1.247) 6.013 7.698 ( 3.710 -7.395 -3.002) 8.801 7.774 ( 3.079 -4.863 0.096) 5.757 11.535 ( -0.142 8.629 0.606) 8.652 11.624 ( -0.284 7.685 -0.726) 7.724 13.265 ( 1.244 -16.440 -0.629) 16.499 13.423 ( 2.793 -14.281 1.760) 14.657 14.857 ( -1.691 18.492 1.831) 18.659 14.930 ( 0.376 18.326 -2.609) 18.515 16.879 ( 0.190 -7.471 -0.450) 7.487 16.901 ( 1.327 -3.656 -0.950) 4.003 20.689 ( 0.087 -0.228 -0.089) 0.259 20.719 ( 1.049 0.149 0.469) 1.159 20.732 ( -0.853 0.208 -0.176) 0.896 20.758 ( -0.174 0.404 -0.347) 0.560 21.547 ( 0.153 -0.290 -0.206) 0.387 21.592 ( -0.228 -0.596 -0.164) 0.659 21.638 ( -1.409 0.260 -1.454) 2.041 21.684 ( -0.915 0.145 -0.088) 0.930 23.273 ( 0.053 0.305 0.260) 0.404 23.281 ( 0.417 0.539 -0.346) 0.764 23.534 ( -0.294 -0.451 0.565) 0.781 23.544 ( 0.230 -0.499 -0.527) 0.761 28.109 ( -0.635 1.196 0.949) 1.654 28.352 ( 3.393 -0.643 -0.303) 3.466 28.439 ( -0.150 -2.077 -2.435) 3.204 28.553 ( 1.708 -4.012 0.673) 4.412 31.760 ( 1.200 -0.086 1.035) 1.587 31.787 ( 0.777 0.318 0.272) 0.882 31.814 ( 0.383 -0.094 0.330) 0.514 31.832 ( -0.221 0.167 0.321) 0.424 35.795 ( -8.538 -3.036 -3.678) 9.780 36.073 ( -2.274 5.078 -0.966) 5.647 36.290 ( -3.404 0.077 -1.934) 3.916 36.492 ( -3.483 -1.993 -0.213) 4.019 39.101 ( -2.996 2.227 2.972) 4.771 39.403 ( 2.801 5.461 -3.567) 7.099 39.881 ( -11.094 -10.269 -5.583) 16.115 40.159 ( -6.024 0.867 -6.452) 8.869 42.780 ( -2.674 -0.023 4.042) 4.847 42.869 ( 0.004 -1.265 -4.908) 5.068 43.141 ( 1.984 3.705 2.771) 5.034 43.550 ( 0.704 -1.605 8.632) 8.809 85.111 ( -18.137 -2.834 -16.572) 24.731 85.309 ( -2.307 -2.047 -4.011) 5.060 85.386 ( -7.129 1.952 2.466) 7.792 86.092 ( -7.642 -5.504 14.120) 16.973 ======================= Grid point 190 (100/116) ======================= q-point: (-0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 2.491 9.981 8.650) 13.440 0.662 ( -1.879 11.540 6.952) 13.602 0.887 ( 1.336 1.237 3.523) 3.966 0.999 ( 0.379 14.770 8.536) 17.063 1.248 ( -1.513 10.096 -1.610) 10.335 1.382 ( -3.753 -4.513 0.238) 5.875 1.450 ( -0.608 -4.132 -1.046) 4.305 1.640 ( 1.651 -7.014 1.912) 7.455 1.754 ( 0.342 -3.706 -0.754) 3.798 1.827 ( -5.441 -1.687 -1.122) 5.806 1.977 ( 3.828 8.684 -0.321) 9.496 2.215 ( -1.368 6.942 -2.549) 7.520 2.507 ( 1.131 -0.355 -1.627) 2.013 2.623 ( -4.463 -3.723 -3.535) 6.803 2.759 ( 2.592 1.690 0.795) 3.195 2.977 ( -11.093 2.558 -2.791) 11.722 3.285 ( -1.207 -2.470 2.682) 3.841 3.380 ( 2.496 -2.767 -0.251) 3.735 3.423 ( -0.705 -3.180 1.674) 3.663 3.562 ( -0.606 -9.151 -1.552) 9.302 3.586 ( -4.510 -4.289 -0.267) 6.229 3.649 ( 0.111 -2.142 -2.095) 2.998 3.766 ( 7.570 -1.239 4.294) 8.791 3.795 ( 2.110 -1.801 3.859) 4.753 4.027 ( 1.894 0.986 -1.552) 2.640 4.075 ( 1.762 0.114 0.166) 1.773 4.276 ( 2.261 1.333 -0.447) 2.662 4.378 ( -1.865 -2.418 -1.417) 3.366 4.582 ( 4.956 -0.785 1.099) 5.136 4.639 ( 4.483 1.903 0.004) 4.870 4.829 ( -0.339 -1.332 1.827) 2.286 4.837 ( 0.523 -0.801 -2.254) 2.449 5.253 ( -0.877 -2.830 1.926) 3.533 5.339 ( -2.257 0.445 1.522) 2.759 5.574 ( 0.081 2.017 0.206) 2.029 5.784 ( -5.816 -1.472 0.031) 5.999 6.346 ( 2.454 6.795 6.686) 9.844 6.875 ( -4.508 4.403 -5.963) 8.676 7.780 ( 4.881 -8.869 2.518) 10.432 7.863 ( 5.549 -4.791 -0.280) 7.337 11.548 ( 0.217 8.110 0.904) 8.164 11.606 ( -0.395 8.750 -1.494) 8.885 13.302 ( 2.494 -16.409 0.798) 16.616 13.453 ( -0.466 -14.986 -0.793) 15.014 14.844 ( -1.439 18.581 1.946) 18.738 14.905 ( -0.049 18.800 -2.704) 18.994 16.878 ( 0.168 -7.484 -0.342) 7.494 16.906 ( 0.417 -3.432 -1.903) 3.946 20.687 ( -0.128 -0.115 -0.184) 0.252 20.712 ( -0.885 -0.097 -0.555) 1.050 20.733 ( 0.244 0.356 0.008) 0.432 20.752 ( -0.220 0.200 -0.362) 0.469 21.553 ( 0.531 -0.983 -0.062) 1.119 21.575 ( -0.536 -1.220 -0.298) 1.366 21.622 ( 0.093 1.038 0.040) 1.043 21.663 ( -1.020 0.728 -0.368) 1.307 23.276 ( -0.035 0.324 0.278) 0.428 23.284 ( 0.288 0.574 -0.442) 0.779 23.533 ( -0.328 -0.458 0.543) 0.783 23.543 ( 0.224 -0.518 -0.534) 0.777 28.133 ( 1.310 0.821 2.616) 3.039 28.356 ( -1.184 -1.391 -3.577) 4.016 28.445 ( 2.304 -1.297 -0.552) 2.701 28.549 ( -2.011 -3.898 -1.032) 4.506 31.797 ( 1.252 0.003 0.393) 1.312 31.798 ( 1.019 0.343 0.415) 1.152 31.825 ( -0.834 0.109 0.412) 0.936 31.830 ( 0.350 -0.212 0.700) 0.811 35.612 ( -5.724 1.917 -0.644) 6.070 35.919 ( -9.526 6.709 -4.662) 12.550 36.274 ( 1.368 0.073 0.920) 1.650 36.419 ( -3.661 -2.674 -0.312) 4.544 39.108 ( 0.118 1.915 4.660) 5.040 39.382 ( -1.063 5.005 -5.470) 7.490 39.666 ( -4.545 -4.994 0.652) 6.784 39.981 ( -7.400 0.232 -3.765) 8.306 42.766 ( -2.672 0.146 3.851) 4.689 42.846 ( 1.481 -0.886 -3.996) 4.353 43.346 ( 13.621 0.128 4.994) 14.508 43.609 ( -2.383 -1.715 7.070) 7.655 84.839 ( 2.451 2.899 0.649) 3.851 85.253 ( -8.143 0.463 1.285) 8.257 85.350 ( 5.912 -1.996 2.406) 6.688 85.973 ( -15.082 -5.427 7.217) 17.578 ======================= Grid point 191 (101/116) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -0.982 3.685 5.221) 6.466 0.837 ( 2.332 2.782 -1.589) 3.963 1.115 ( 6.747 2.593 6.244) 9.552 1.169 ( -1.280 -6.631 0.822) 6.804 1.238 ( 1.903 -3.394 0.644) 3.944 1.327 ( -5.864 8.952 -6.569) 12.557 1.551 ( 3.044 -7.168 2.752) 8.260 1.594 ( -1.406 -2.552 -1.291) 3.187 1.703 ( 2.823 13.494 3.434) 14.208 1.766 ( -3.455 13.032 -2.046) 13.637 2.260 ( 2.250 10.066 1.823) 10.475 2.324 ( -2.276 8.808 -4.351) 10.084 2.457 ( -3.357 -1.250 3.599) 5.078 2.517 ( 2.179 -0.628 -2.615) 3.461 2.881 ( 2.066 3.371 0.302) 3.965 2.906 ( -2.274 4.819 -1.871) 5.647 3.147 ( 0.784 -12.908 1.905) 13.072 3.185 ( -2.154 -15.635 -1.782) 15.883 3.397 ( -0.105 -4.642 2.868) 5.457 3.427 ( 2.861 -5.099 -0.330) 5.856 3.472 ( 0.156 -2.206 2.933) 3.673 3.548 ( -2.746 -1.740 -3.945) 5.111 3.789 ( 1.392 -2.195 1.895) 3.217 3.836 ( 1.986 -5.033 -1.993) 5.766 4.069 ( 0.416 1.704 1.547) 2.339 4.095 ( 0.007 1.646 -1.218) 2.047 4.273 ( -0.054 -2.812 0.476) 2.852 4.290 ( 0.005 -2.643 -1.355) 2.970 4.709 ( 4.107 1.145 2.033) 4.724 4.742 ( -2.924 2.611 -1.186) 4.095 4.778 ( -3.076 -0.353 1.909) 3.637 4.820 ( 2.628 -0.040 -2.292) 3.487 5.215 ( 0.245 -3.584 2.247) 4.238 5.254 ( 0.037 -4.198 -1.549) 4.474 5.661 ( 2.793 1.586 1.648) 3.610 5.677 ( -3.109 0.902 0.126) 3.239 6.687 ( 4.641 12.579 8.024) 15.626 6.851 ( -5.461 11.131 -8.266) 14.901 7.649 ( 1.611 -14.160 3.914) 14.779 7.722 ( -0.207 -12.659 -3.393) 13.107 11.800 ( 0.165 15.545 1.402) 15.609 11.830 ( -0.493 15.571 -1.580) 15.658 12.995 ( 2.086 -20.343 2.331) 20.582 13.035 ( -2.331 -20.520 -1.587) 20.713 15.297 ( -0.747 25.531 2.296) 25.645 15.350 ( 0.719 25.850 -2.961) 26.029 16.661 ( 0.109 -14.853 1.567) 14.936 16.710 ( -0.500 -13.465 -3.671) 13.965 20.689 ( 0.359 0.156 -0.101) 0.404 20.691 ( -0.509 0.031 -0.323) 0.603 20.741 ( 0.005 0.121 0.123) 0.172 20.745 ( -0.241 0.057 -0.245) 0.348 21.533 ( -0.177 -1.159 0.115) 1.178 21.540 ( 0.151 -1.295 -0.517) 1.402 21.657 ( 0.781 0.935 0.266) 1.247 21.662 ( -0.622 0.797 -0.209) 1.033 23.288 ( -0.196 0.680 0.404) 0.815 23.296 ( 0.141 0.549 -0.428) 0.710 23.521 ( -0.189 -0.568 0.399) 0.719 23.529 ( 0.197 -0.762 -0.410) 0.887 28.201 ( 1.400 0.313 2.855) 3.195 28.259 ( -1.903 -1.178 -2.852) 3.625 28.439 ( -1.692 -2.106 0.612) 2.770 28.449 ( 1.238 -2.044 -0.399) 2.423 31.809 ( -0.920 -0.010 0.302) 0.969 31.811 ( 0.439 -0.052 0.070) 0.448 31.831 ( 0.487 0.036 0.460) 0.671 31.835 ( 0.250 -0.024 0.091) 0.267 35.757 ( 4.042 6.965 3.895) 8.945 35.848 ( -4.476 6.512 -5.356) 9.546 36.288 ( -1.120 -3.260 0.334) 3.463 36.296 ( 1.252 -2.862 -0.519) 3.166 39.243 ( 1.181 4.381 5.941) 7.476 39.359 ( -1.292 3.384 -5.324) 6.439 39.672 ( 3.473 -2.932 4.213) 6.198 39.773 ( -4.005 -3.209 -5.687) 7.661 42.776 ( -1.145 1.168 3.387) 3.762 42.838 ( 1.993 -0.370 -2.754) 3.419 43.516 ( -1.390 -2.392 2.310) 3.604 43.553 ( 4.651 -3.947 -1.418) 6.263 85.086 ( 9.246 2.506 1.452) 9.689 85.118 ( -7.087 3.036 -1.774) 7.912 85.513 ( 13.534 -7.225 4.104) 15.881 85.574 ( -10.313 -7.292 -2.090) 12.802 ======================= Grid point 192 (102/116) ======================= q-point: ( 0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 2.537 3.588 1.883) 4.781 0.883 ( 5.306 4.202 -4.148) 7.939 1.100 ( -3.830 4.426 -9.274) 10.966 1.221 ( 2.234 -6.538 2.166) 7.240 1.263 ( 5.493 -5.927 -1.510) 8.221 1.374 ( 6.307 10.978 6.382) 14.178 1.524 ( -2.657 -7.687 -2.247) 8.438 1.602 ( -0.569 6.430 -1.460) 6.618 1.683 ( -1.438 8.646 -0.515) 8.780 1.815 ( 4.457 8.909 2.329) 10.231 2.211 ( -5.258 9.754 -3.170) 11.525 2.300 ( -0.040 6.864 3.671) 7.784 2.459 ( -0.103 0.306 2.925) 2.942 2.558 ( 2.909 -0.100 -1.500) 3.274 2.836 ( -1.325 4.123 -0.941) 4.432 2.983 ( 4.995 0.984 0.953) 5.179 3.126 ( -2.538 -16.122 -0.351) 16.325 3.184 ( 0.497 -12.635 2.655) 12.921 3.383 ( -1.868 -4.328 -0.447) 4.735 3.417 ( -1.712 -4.865 -2.923) 5.928 3.531 ( 3.365 -2.822 -0.801) 4.464 3.545 ( 2.014 -2.977 3.505) 5.020 3.792 ( -1.694 -2.240 -2.349) 3.661 3.798 ( -1.227 -3.039 -2.628) 4.201 4.063 ( -0.649 3.297 -0.242) 3.369 4.091 ( -0.134 1.664 -0.348) 1.705 4.262 ( -0.052 -2.378 0.030) 2.379 4.324 ( 2.504 -2.120 0.038) 3.281 4.609 ( -8.139 1.723 -0.722) 8.351 4.689 ( -5.387 2.188 -0.749) 5.862 4.768 ( -0.996 -0.692 2.751) 3.006 4.839 ( -0.064 -2.021 -2.150) 2.951 5.210 ( 1.229 -2.273 0.161) 2.589 5.329 ( 5.468 -4.244 -0.820) 6.970 5.643 ( 0.527 3.754 -0.077) 3.791 5.764 ( 5.367 -0.260 0.744) 5.424 6.675 ( -4.789 12.208 -6.603) 14.682 6.868 ( 5.382 9.983 7.805) 13.768 7.597 ( -6.507 -13.268 -1.556) 14.860 7.697 ( -1.547 -12.261 -0.622) 12.374 11.782 ( -1.287 14.604 0.161) 14.662 11.843 ( 0.921 16.173 0.302) 16.202 12.948 ( -3.719 -20.384 -0.848) 20.738 13.068 ( 1.889 -20.312 1.260) 20.438 15.309 ( -0.372 25.630 2.332) 25.739 15.343 ( 1.141 25.361 -2.299) 25.491 16.666 ( -0.777 -14.290 -0.206) 14.313 16.688 ( 0.147 -14.109 0.695) 14.127 20.685 ( 0.030 0.033 -0.057) 0.072 20.701 ( 0.766 -0.099 0.227) 0.805 20.739 ( -0.069 0.253 0.102) 0.281 20.749 ( 0.419 0.135 0.272) 0.518 21.529 ( -0.188 -0.924 0.151) 0.955 21.546 ( 0.629 -1.276 -0.067) 1.424 21.647 ( -0.576 1.011 -0.250) 1.190 21.673 ( 0.614 0.555 0.083) 0.832 23.286 ( -0.361 0.697 0.371) 0.868 23.294 ( 0.003 0.514 -0.277) 0.584 23.522 ( -0.120 -0.557 0.391) 0.691 23.530 ( 0.267 -0.757 -0.413) 0.902 28.201 ( -1.505 0.536 -2.299) 2.800 28.256 ( 1.197 -1.196 3.196) 3.616 28.404 ( -2.359 -1.201 0.701) 2.738 28.470 ( 0.828 -3.009 0.069) 3.121 31.796 ( -0.634 0.255 0.412) 0.798 31.815 ( -0.756 0.006 -0.096) 0.762 31.829 ( 0.307 -0.050 -0.267) 0.410 31.839 ( 0.009 -0.178 -0.533) 0.562 35.738 ( -0.183 7.258 -2.156) 7.574 35.939 ( 8.003 3.743 2.969) 9.321 36.274 ( 0.061 -1.500 -0.098) 1.505 36.348 ( 3.803 -3.698 -0.139) 5.306 39.234 ( -2.043 3.904 -1.106) 4.542 39.412 ( 5.856 6.218 1.952) 8.762 39.612 ( -3.593 -4.560 -2.246) 6.225 39.864 ( 7.838 -4.154 2.966) 9.353 42.784 ( -0.680 1.249 2.223) 2.639 42.851 ( 2.437 -0.285 -3.695) 4.435 43.407 ( -6.832 0.365 -1.859) 7.090 43.632 ( 3.436 -6.638 -3.830) 8.399 84.949 ( -4.962 4.625 -2.307) 7.164 85.248 ( 0.653 -2.668 -0.245) 2.758 85.395 ( 2.848 0.394 -3.665) 4.658 85.886 ( 18.796 -12.394 -2.462) 22.648 ======================= Grid point 193 (103/116) ======================= q-point: ( 0.25 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 1.999 4.858 -4.410) 6.859 0.915 ( 0.440 7.318 -5.915) 9.420 1.015 ( 5.583 2.981 -5.005) 8.069 1.296 ( 3.070 -5.653 2.669) 6.965 1.365 ( 5.524 -6.862 -2.106) 9.057 1.462 ( -1.027 3.611 -2.644) 4.591 1.524 ( 1.827 11.330 1.468) 11.570 1.563 ( 1.294 15.408 2.207) 15.619 1.681 ( 0.285 1.603 -0.909) 1.865 1.895 ( 3.515 -0.155 -1.268) 3.740 2.102 ( -3.669 10.053 -0.388) 10.709 2.345 ( 0.214 5.052 4.409) 6.709 2.460 ( -2.502 2.325 0.272) 3.427 2.578 ( 1.037 -2.260 -1.098) 2.718 2.808 ( -0.774 4.127 -2.219) 4.749 3.063 ( 0.229 -12.680 2.314) 12.891 3.097 ( -0.121 -8.952 0.203) 8.955 3.213 ( -0.080 -13.225 1.868) 13.356 3.313 ( -1.181 -2.641 -1.823) 3.420 3.380 ( -2.037 -4.704 -2.028) 5.513 3.526 ( -3.590 -3.812 1.637) 5.486 3.628 ( 5.504 -4.507 -1.127) 7.203 3.735 ( -0.126 -1.329 -3.189) 3.457 3.805 ( 2.463 -0.972 1.354) 2.974 4.043 ( -0.697 2.093 -2.257) 3.156 4.096 ( -0.350 5.347 2.094) 5.754 4.280 ( 1.871 0.509 1.042) 2.202 4.370 ( 1.958 -1.943 0.728) 2.853 4.460 ( -6.247 -0.069 -0.164) 6.249 4.590 ( -4.065 1.683 -0.592) 4.439 4.729 ( -4.803 -2.570 2.409) 5.956 4.786 ( -2.671 -3.671 -2.481) 5.173 5.277 ( 5.136 0.386 0.223) 5.155 5.410 ( 4.261 -1.751 -1.737) 4.923 5.686 ( 3.440 4.550 0.116) 5.705 5.857 ( 4.047 -1.421 -0.541) 4.323 6.554 ( -2.229 12.179 -4.545) 13.190 6.994 ( 0.699 7.285 3.105) 7.949 7.461 ( -5.809 -11.993 0.829) 13.352 7.636 ( -3.239 -10.260 -0.934) 10.800 11.772 ( -0.022 13.556 0.127) 13.556 11.850 ( -0.270 16.252 0.168) 16.256 12.884 ( -2.339 -20.255 0.041) 20.390 13.085 ( -0.676 -20.213 -0.236) 20.226 15.324 ( -0.056 25.303 1.836) 25.369 15.349 ( 1.085 25.153 -1.257) 25.208 16.653 ( -0.127 -14.540 -0.219) 14.542 16.696 ( -0.830 -13.807 1.739) 13.941 20.687 ( 0.129 -0.014 -0.068) 0.146 20.713 ( 0.016 -0.577 0.099) 0.586 20.743 ( 0.420 0.742 0.137) 0.863 20.760 ( 0.363 0.293 0.303) 0.556 21.533 ( 0.352 -0.354 0.401) 0.640 21.564 ( 1.063 -1.116 0.488) 1.617 21.638 ( -0.215 0.957 0.152) 0.992 21.684 ( 0.434 0.010 0.135) 0.454 23.282 ( -0.351 0.670 0.322) 0.823 23.291 ( -0.125 0.470 -0.196) 0.524 23.523 ( -0.116 -0.530 0.371) 0.657 23.531 ( 0.270 -0.741 -0.423) 0.895 28.167 ( -0.231 1.847 -1.288) 2.264 28.297 ( -0.046 -1.849 2.687) 3.262 28.365 ( -2.290 -1.131 0.823) 2.683 28.476 ( -0.304 -3.829 -0.095) 3.842 31.781 ( -1.092 0.082 -0.826) 1.372 31.797 ( -0.732 0.300 -0.147) 0.804 31.820 ( -0.505 -0.134 -0.569) 0.773 31.839 ( 0.266 -0.087 -0.240) 0.369 35.783 ( 5.120 5.215 0.385) 7.318 36.094 ( 5.289 -0.245 1.804) 5.593 36.281 ( 0.811 0.893 0.069) 1.208 36.428 ( 4.015 -3.554 0.417) 5.378 39.215 ( 1.779 4.179 -1.846) 4.902 39.475 ( -2.889 7.075 2.387) 8.006 39.649 ( 8.659 -5.511 1.753) 10.412 40.026 ( 5.191 -4.859 3.860) 8.091 42.796 ( 0.072 0.757 1.842) 1.993 42.860 ( 2.406 -0.726 -4.257) 4.944 43.272 ( -4.072 3.405 -2.921) 6.059 43.614 ( -0.096 -6.983 -6.141) 9.299 84.952 ( 5.585 3.640 3.456) 7.509 85.210 ( -0.657 -3.625 0.927) 3.799 85.511 ( 8.347 3.530 -4.209) 9.992 86.126 ( 11.659 -13.823 -8.947) 20.176 ======================= Grid point 194 (104/116) ======================= q-point: ( 0.38 0.29 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 2.035 3.759 -9.036) 9.996 0.846 ( -2.493 3.506 -2.996) 5.242 1.143 ( 8.088 6.899 1.044) 10.682 1.352 ( 0.408 3.328 -0.920) 3.477 1.408 ( 1.124 -8.810 -2.087) 9.123 1.469 ( 4.910 8.959 1.678) 10.354 1.551 ( -2.555 14.601 -0.333) 14.826 1.582 ( 1.696 7.724 2.548) 8.308 1.721 ( 3.723 3.970 -1.191) 5.572 1.920 ( 0.251 -3.590 -3.767) 5.210 2.061 ( -0.911 9.773 1.173) 9.885 2.308 ( -5.024 9.657 -4.094) 11.630 2.424 ( -2.874 -2.359 6.093) 7.138 2.574 ( 0.028 -5.717 -3.595) 6.754 2.777 ( -0.113 5.440 0.345) 5.452 3.029 ( -2.469 -12.169 -3.552) 12.915 3.102 ( 0.336 -6.383 1.170) 6.498 3.187 ( -1.815 -13.449 0.133) 13.572 3.325 ( 0.102 -4.769 -0.909) 4.856 3.383 ( 2.344 -5.454 2.432) 6.415 3.477 ( -0.649 -2.954 2.039) 3.648 3.691 ( -0.556 -1.388 -1.082) 1.846 3.749 ( 5.494 -4.436 -1.645) 7.250 3.851 ( -0.973 -3.962 2.020) 4.552 4.019 ( 0.678 3.810 -1.453) 4.134 4.084 ( -2.153 5.756 1.026) 6.231 4.356 ( 3.512 2.200 2.574) 4.878 4.388 ( -1.246 -3.493 1.120) 3.874 4.411 ( 0.902 -2.388 0.763) 2.665 4.527 ( -1.882 0.845 -0.883) 2.244 4.660 ( -4.205 -3.480 2.343) 5.939 4.711 ( -2.376 -4.426 -2.426) 5.579 5.386 ( 5.223 3.134 0.735) 6.136 5.463 ( 2.829 1.516 -1.337) 3.477 5.757 ( 3.636 2.363 0.402) 4.356 5.898 ( 0.738 -1.938 -1.152) 2.373 6.521 ( 2.354 11.580 -1.926) 11.972 6.904 ( -8.782 6.340 -3.708) 11.449 7.437 ( -0.110 -9.625 4.769) 10.742 7.580 ( -1.645 -10.324 -1.123) 10.514 11.781 ( 0.820 13.669 0.232) 13.695 11.840 ( -0.743 15.061 -0.226) 15.081 12.868 ( -0.115 -19.903 1.661) 19.973 13.042 ( -2.411 -19.876 -2.119) 20.133 15.337 ( -0.551 25.125 1.905) 25.203 15.358 ( 1.195 24.956 -1.340) 25.021 16.656 ( 0.396 -14.374 0.208) 14.381 16.688 ( -1.180 -13.772 0.857) 13.849 20.687 ( 0.033 0.031 -0.146) 0.153 20.703 ( -0.647 -0.243 -0.321) 0.762 20.756 ( 0.649 0.570 0.119) 0.871 20.767 ( 0.054 0.388 0.177) 0.430 21.549 ( 0.803 0.259 0.605) 1.039 21.586 ( 0.403 -0.454 0.337) 0.694 21.645 ( 0.517 0.224 1.017) 1.163 21.691 ( 0.214 -0.552 0.011) 0.592 23.279 ( -0.262 0.631 0.329) 0.758 23.287 ( -0.074 0.457 -0.234) 0.519 23.524 ( -0.153 -0.501 0.359) 0.635 23.532 ( 0.229 -0.714 -0.432) 0.866 28.171 ( 1.387 2.185 -0.128) 2.591 28.282 ( -2.747 0.240 0.204) 2.765 28.357 ( -0.255 -3.064 2.513) 3.971 28.458 ( -0.963 -3.898 -1.023) 4.144 31.754 ( -0.576 -0.052 -1.125) 1.265 31.769 ( -1.451 -0.327 -0.713) 1.649 31.818 ( 0.302 0.451 0.071) 0.547 31.838 ( -0.168 0.068 -0.288) 0.340 35.902 ( 5.280 3.250 2.332) 6.624 36.138 ( -0.722 0.241 -1.830) 1.982 36.336 ( 4.078 -0.597 2.108) 4.630 36.484 ( 1.097 -3.287 0.077) 3.466 39.264 ( 4.530 4.528 -1.148) 6.507 39.418 ( -4.628 5.307 1.602) 7.222 39.863 ( 9.101 -5.181 4.773) 11.509 40.111 ( 0.322 -5.759 2.748) 6.389 42.820 ( -0.039 0.554 2.748) 2.804 42.873 ( 3.057 -0.709 -3.829) 4.951 43.223 ( 0.821 3.355 -0.782) 3.541 43.526 ( -2.350 -6.103 -7.690) 10.095 85.172 ( 7.689 -0.962 8.882) 11.787 85.273 ( 4.647 -2.913 6.257) 8.321 85.591 ( 4.558 3.521 -4.351) 7.218 86.163 ( 3.677 -13.239 -14.262) 19.804 ======================= Grid point 195 (105/116) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( -4.809 2.994 0.376) 5.678 0.817 ( 2.571 1.688 -6.383) 7.085 1.274 ( 1.412 5.456 3.418) 6.591 1.345 ( 0.797 5.194 -3.235) 6.171 1.413 ( 1.138 9.332 0.843) 9.439 1.448 ( -3.768 8.737 -2.505) 9.839 1.634 ( 3.115 5.895 5.201) 8.456 1.661 ( 4.541 -1.406 3.786) 6.077 1.729 ( -1.371 5.071 -2.324) 5.744 1.796 ( -6.375 0.311 -6.736) 9.279 2.105 ( 2.228 8.005 2.789) 8.765 2.175 ( -2.660 9.261 -4.340) 10.568 2.425 ( -2.763 -3.178 6.243) 7.530 2.541 ( 2.075 -5.717 -5.227) 8.019 2.825 ( 1.811 4.297 4.729) 6.642 2.934 ( -2.735 -2.367 -6.006) 7.011 3.130 ( 0.421 -10.423 2.329) 10.689 3.167 ( 0.084 -12.331 -0.918) 12.366 3.353 ( -2.068 -7.641 0.099) 7.916 3.360 ( 2.701 -7.261 -0.340) 7.755 3.578 ( 4.068 -0.974 3.640) 5.545 3.634 ( -3.304 -1.710 -2.129) 4.286 3.806 ( -4.337 -4.075 1.185) 6.068 3.837 ( 4.605 -3.346 -1.787) 5.966 4.036 ( 0.270 4.082 0.715) 4.153 4.060 ( 1.126 4.038 -1.686) 4.518 4.405 ( -1.504 -2.940 0.624) 3.361 4.409 ( 1.372 -4.414 0.414) 4.641 4.438 ( 2.166 1.489 3.050) 4.026 4.494 ( -0.547 -0.640 -2.344) 2.491 4.621 ( -2.817 -3.880 3.117) 5.719 4.678 ( 1.873 -4.380 -2.513) 5.386 5.459 ( 0.952 4.290 0.933) 4.493 5.479 ( -0.541 3.715 -1.038) 3.895 5.829 ( 2.732 -0.874 1.334) 3.163 5.856 ( -3.485 -1.376 -1.400) 4.000 6.621 ( 7.663 9.924 1.542) 12.632 6.674 ( -9.419 9.030 -3.904) 13.620 7.492 ( 0.914 -9.699 3.566) 10.374 7.551 ( 0.517 -10.509 -2.420) 10.797 11.804 ( 0.433 13.450 0.751) 13.478 11.819 ( -0.439 14.577 -0.787) 14.605 12.907 ( 1.707 -19.599 3.117) 19.919 12.970 ( -2.163 -19.667 -3.070) 20.022 15.335 ( -1.404 25.115 1.873) 25.224 15.372 ( 1.663 24.969 -1.754) 25.086 16.665 ( -0.655 -14.238 0.830) 14.277 16.680 ( 1.063 -13.680 -0.609) 13.734 20.688 ( 0.161 0.082 -0.001) 0.180 20.691 ( -0.248 0.040 -0.305) 0.395 20.763 ( -0.254 0.456 0.271) 0.588 20.768 ( 0.233 0.313 -0.125) 0.410 21.570 ( 0.531 0.564 0.716) 1.055 21.582 ( -0.331 0.499 -0.437) 0.741 21.670 ( 0.687 -0.678 1.204) 1.543 21.688 ( -0.318 -0.907 -0.576) 1.120 23.278 ( -0.148 0.603 0.345) 0.710 23.285 ( 0.138 0.467 -0.286) 0.565 23.524 ( -0.196 -0.493 0.374) 0.649 23.532 ( 0.193 -0.696 -0.421) 0.836 28.208 ( 0.443 1.330 1.059) 1.757 28.229 ( -0.551 1.824 -0.991) 2.148 28.382 ( 0.154 -3.716 2.821) 4.668 28.430 ( -0.308 -3.677 -1.871) 4.137 31.741 ( -0.901 -0.265 -0.202) 0.960 31.744 ( 0.396 -0.287 -0.533) 0.723 31.826 ( 0.346 0.328 0.089) 0.485 31.830 ( -0.316 0.277 -0.283) 0.506 36.007 ( 2.297 2.842 3.395) 4.988 36.072 ( -2.458 1.165 -3.097) 4.122 36.434 ( 2.842 -2.450 1.940) 4.224 36.465 ( -1.920 -2.946 -1.269) 3.738 39.330 ( -4.984 5.448 1.504) 7.535 39.356 ( 4.962 4.439 -1.133) 6.754 40.031 ( 0.469 -5.434 5.208) 7.542 40.102 ( 1.156 -7.178 -1.681) 7.462 42.830 ( -1.800 0.696 2.923) 3.503 42.899 ( 2.999 -0.717 -3.853) 4.935 43.277 ( 2.713 0.416 3.381) 4.355 43.392 ( -3.495 -3.510 -8.029) 9.434 85.316 ( 2.064 -0.524 5.899) 6.272 85.405 ( 0.365 -2.873 -0.522) 2.943 85.684 ( 4.597 -1.875 10.224) 11.365 86.006 ( -4.206 -11.508 -18.752) 22.400 ======================= Grid point 196 (106/116) ======================= q-point: (-0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -4.536 4.079 5.507) 8.218 0.828 ( 2.329 1.611 -1.702) 3.304 1.189 ( -10.718 12.345 -2.945) 16.612 1.328 ( 0.187 3.608 -0.120) 3.615 1.358 ( -2.224 -7.456 2.744) 8.250 1.510 ( 2.301 15.195 0.456) 15.375 1.546 ( -6.343 1.690 -2.294) 6.954 1.635 ( -4.132 4.984 -2.595) 6.975 1.706 ( -1.291 7.438 0.253) 7.554 1.827 ( 2.847 -2.646 5.535) 6.763 2.095 ( 0.573 9.817 -1.788) 9.995 2.237 ( 5.706 8.983 2.344) 10.897 2.456 ( -0.226 -4.733 7.010) 8.461 2.550 ( 3.175 -3.253 -5.839) 7.400 2.828 ( -2.620 1.616 -4.146) 5.163 2.917 ( 2.682 -0.007 6.282) 6.831 3.144 ( 0.297 -12.357 -0.869) 12.391 3.180 ( 1.536 -10.281 0.093) 10.396 3.312 ( -0.949 -7.180 0.279) 7.248 3.429 ( 1.952 -7.335 -1.989) 7.847 3.530 ( -2.261 -2.868 -2.621) 4.495 3.662 ( 1.257 -1.050 1.843) 2.466 3.722 ( -5.414 -4.422 0.952) 7.055 3.889 ( 2.498 -3.344 -1.845) 4.564 4.008 ( -2.044 3.089 -0.636) 3.758 4.117 ( 4.688 5.383 -1.962) 7.403 4.375 ( -1.542 -3.851 0.152) 4.151 4.408 ( -1.781 0.979 -0.831) 2.196 4.444 ( -1.179 -3.314 -1.569) 3.852 4.516 ( 3.317 0.609 -0.209) 3.379 4.635 ( 1.474 -4.367 4.001) 6.104 4.719 ( 4.034 -3.764 -2.204) 5.942 5.407 ( -5.390 2.893 -1.448) 6.286 5.440 ( -3.381 2.618 1.022) 4.397 5.764 ( -4.359 1.057 -0.402) 4.503 5.868 ( -1.104 -2.155 1.788) 3.010 6.502 ( -4.896 12.107 -0.283) 13.062 6.834 ( 10.325 7.703 3.190) 13.272 7.503 ( -0.561 -11.606 -1.011) 11.663 7.576 ( 3.451 -9.077 -1.419) 9.814 11.784 ( -1.259 14.409 -0.050) 14.464 11.837 ( 1.153 14.151 0.097) 14.198 12.906 ( -1.203 -19.833 -1.922) 19.962 12.990 ( 3.009 -19.794 2.835) 20.221 15.322 ( -1.574 25.058 1.607) 25.159 15.385 ( 1.454 25.313 -2.130) 25.444 16.655 ( -0.651 -14.869 0.276) 14.886 16.710 ( 2.650 -12.859 -1.217) 13.186 20.687 ( 0.075 0.117 -0.128) 0.189 20.697 ( 0.662 -0.041 0.250) 0.709 20.756 ( -0.654 0.536 0.140) 0.857 20.769 ( -0.011 0.241 -0.104) 0.263 21.560 ( -0.875 0.481 -0.412) 1.081 21.589 ( 0.210 0.098 0.014) 0.232 21.668 ( -0.791 -0.577 -1.167) 1.523 21.686 ( 0.042 -0.607 0.563) 0.829 23.280 ( -0.023 0.592 0.293) 0.661 23.287 ( 0.355 0.487 -0.273) 0.662 23.524 ( -0.226 -0.515 0.401) 0.691 23.532 ( 0.163 -0.702 -0.399) 0.824 28.170 ( -2.144 2.225 0.086) 3.091 28.281 ( 3.434 0.755 0.121) 3.519 28.397 ( -0.396 -4.083 -0.279) 4.112 28.431 ( 1.401 -3.654 0.642) 3.966 31.735 ( 0.200 -0.056 0.634) 0.667 31.759 ( 1.189 -0.447 0.273) 1.299 31.821 ( -0.294 0.429 -0.207) 0.560 31.833 ( 0.178 0.146 0.154) 0.276 35.944 ( -6.127 1.886 -1.597) 6.606 36.102 ( 2.407 1.245 1.616) 3.155 36.375 ( -4.417 -1.666 -1.698) 5.017 36.484 ( 0.039 -2.942 0.122) 2.945 39.237 ( -5.259 5.223 1.386) 7.541 39.447 ( 5.003 3.968 -1.283) 6.513 39.929 ( -9.009 -6.080 -1.127) 10.927 40.161 ( 2.342 -6.852 -2.049) 7.525 42.808 ( -2.993 0.483 2.666) 4.038 42.895 ( 0.346 -1.539 -4.914) 5.160 43.241 ( -3.513 1.712 -2.492) 4.635 43.400 ( 3.725 -2.205 4.016) 5.905 85.308 ( -5.055 -1.742 -4.791) 7.180 85.366 ( -2.280 -1.543 0.895) 2.895 85.663 ( -11.886 -4.697 -13.861) 18.854 85.878 ( 0.525 -7.973 12.515) 14.849 ======================= Grid point 197 (107/116) ======================= q-point: (-0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -1.344 6.483 9.700) 11.744 0.849 ( -1.218 4.313 1.585) 4.754 0.962 ( -9.368 6.053 0.726) 11.177 1.309 ( -5.002 -1.724 3.084) 6.124 1.334 ( -2.817 -6.716 -0.716) 7.318 1.412 ( -1.077 4.782 1.134) 5.031 1.538 ( -2.666 5.784 -0.758) 6.414 1.614 ( 1.731 19.784 -0.602) 19.869 1.666 ( -1.126 0.352 -0.274) 1.211 1.856 ( -2.326 -1.675 2.589) 3.863 2.124 ( 3.453 10.816 -2.205) 11.566 2.357 ( 3.407 8.908 2.173) 9.782 2.514 ( -0.990 -6.595 5.665) 8.751 2.531 ( 1.361 -0.732 -6.228) 6.417 2.791 ( 1.195 3.554 -0.922) 3.861 3.044 ( 4.106 -6.069 5.541) 9.186 3.126 ( -0.413 -11.043 -3.358) 11.550 3.220 ( 1.739 -12.964 0.872) 13.109 3.323 ( 0.077 -4.542 0.283) 4.551 3.344 ( -2.285 -3.829 -1.487) 4.701 3.563 ( 4.351 -4.545 -2.256) 6.684 3.608 ( -6.496 -4.985 0.753) 8.223 3.685 ( -0.755 0.316 1.834) 2.009 3.848 ( -4.266 -3.463 -3.128) 6.322 4.002 ( 1.385 3.285 1.625) 3.918 4.152 ( 0.801 5.024 -3.130) 5.973 4.309 ( -3.081 -0.904 -1.740) 3.652 4.380 ( -2.187 -1.774 -0.464) 2.854 4.456 ( 5.080 0.015 0.396) 5.095 4.586 ( 4.286 0.980 -0.275) 4.405 4.719 ( 2.842 -3.890 3.367) 5.878 4.781 ( 4.289 -2.619 -1.784) 5.333 5.282 ( -5.886 0.693 -0.307) 5.934 5.379 ( -3.905 -0.372 1.295) 4.131 5.683 ( -4.098 3.363 0.257) 5.308 5.828 ( -4.354 -1.861 2.260) 5.247 6.479 ( 0.436 13.315 2.931) 13.640 7.015 ( 5.245 7.115 0.611) 8.861 7.487 ( 0.904 -13.156 -1.313) 13.253 7.638 ( 4.534 -8.561 -1.304) 9.775 11.770 ( -0.221 14.422 0.228) 14.426 11.854 ( 0.763 15.275 -0.198) 15.296 12.889 ( 0.849 -20.196 -0.572) 20.222 13.064 ( 1.919 -20.448 1.948) 20.630 15.307 ( -1.512 25.092 1.601) 25.189 15.384 ( 0.780 25.794 -2.709) 25.948 16.648 ( -0.327 -15.248 0.267) 15.253 16.747 ( 2.866 -12.647 -3.100) 13.333 20.688 ( 0.121 0.119 -0.194) 0.258 20.713 ( 0.498 -0.483 0.133) 0.706 20.744 ( -0.487 0.755 0.015) 0.898 20.765 ( -0.311 0.207 -0.172) 0.411 21.542 ( -0.438 -0.077 -0.505) 0.672 21.576 ( -1.094 -0.928 -0.652) 1.576 21.646 ( -0.393 0.606 -0.704) 1.008 21.685 ( -0.430 -0.194 0.104) 0.483 23.283 ( 0.059 0.611 0.256) 0.665 23.292 ( 0.429 0.492 -0.306) 0.721 23.523 ( -0.251 -0.553 0.409) 0.732 23.531 ( 0.139 -0.728 -0.393) 0.839 28.146 ( -0.733 2.478 0.832) 2.715 28.336 ( 1.943 -1.082 -1.053) 2.460 28.386 ( 0.683 -2.887 -1.108) 3.167 28.465 ( 0.769 -4.321 1.033) 4.509 31.759 ( 1.281 0.107 1.207) 1.763 31.789 ( 1.310 -0.276 0.635) 1.482 31.815 ( -0.157 0.309 -0.042) 0.349 31.834 ( -0.278 -0.009 0.248) 0.372 35.801 ( -6.910 3.430 -1.290) 7.821 36.122 ( -1.647 -0.718 -0.846) 1.986 36.293 ( -2.068 0.665 -1.050) 2.413 36.441 ( -3.853 -2.934 -0.900) 4.925 39.171 ( -3.122 4.750 2.244) 6.111 39.515 ( 3.662 2.972 -1.627) 4.988 39.709 ( -11.114 -4.196 -3.583) 12.408 40.112 ( -4.138 -5.185 -4.648) 8.100 42.781 ( -2.534 0.151 3.436) 4.271 42.838 ( -1.330 -1.670 -2.639) 3.394 43.229 ( 3.182 4.844 0.938) 5.870 43.500 ( 2.030 -3.356 4.963) 6.326 85.080 ( -11.806 0.066 -9.116) 14.916 85.253 ( -2.783 -3.439 -3.682) 5.756 85.439 ( -7.251 3.668 2.383) 8.468 85.933 ( -6.495 -9.960 10.238) 15.691 ======================= Grid point 198 (108/116) ======================= q-point: (-0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -4.328 3.910 6.466) 8.708 0.799 ( -0.043 7.683 5.113) 9.229 0.933 ( 3.036 3.396 5.549) 7.179 1.222 ( -5.701 -5.404 2.398) 8.214 1.262 ( -2.482 -7.500 -1.674) 8.076 1.460 ( 0.807 8.017 1.593) 8.213 1.490 ( -2.472 2.445 -0.898) 3.591 1.569 ( 0.500 11.731 -0.679) 11.761 1.690 ( 0.244 1.031 -0.332) 1.110 1.824 ( -2.590 5.427 1.129) 6.118 2.184 ( 4.411 10.655 -0.600) 11.547 2.374 ( -0.065 7.736 -3.017) 8.304 2.506 ( -3.915 -3.018 3.703) 6.176 2.520 ( 1.423 -1.927 -3.716) 4.421 2.827 ( 2.534 4.187 -0.219) 4.899 3.025 ( -5.800 1.327 -2.961) 6.646 3.125 ( 1.098 -14.384 0.164) 14.427 3.226 ( -0.589 -14.066 -1.354) 14.144 3.327 ( 2.510 -3.974 3.067) 5.613 3.397 ( 1.238 -5.204 0.662) 5.390 3.505 ( -4.639 -3.500 1.253) 5.945 3.600 ( 0.980 -2.517 -0.964) 2.868 3.735 ( 4.574 -2.426 2.258) 5.648 3.768 ( -1.063 -0.782 0.639) 1.467 4.043 ( 0.857 1.548 1.429) 2.275 4.114 ( -0.820 3.485 -2.129) 4.166 4.270 ( -0.284 -2.142 -0.714) 2.276 4.331 ( -2.221 -2.396 -0.775) 3.358 4.588 ( 6.708 1.576 1.374) 7.026 4.678 ( 5.535 1.977 0.177) 5.880 4.786 ( 1.011 -2.675 2.692) 3.927 4.824 ( 1.390 -0.661 -2.193) 2.679 5.203 ( -2.241 -1.797 0.776) 2.976 5.315 ( -3.860 -2.747 0.490) 4.763 5.630 ( -1.498 3.298 1.087) 3.782 5.757 ( -5.021 -1.146 1.550) 5.378 6.552 ( 2.922 13.585 5.482) 14.938 7.008 ( -2.855 8.950 -5.870) 11.078 7.545 ( 4.171 -14.402 2.981) 15.287 7.712 ( 3.764 -10.075 -1.595) 10.873 11.777 ( 0.631 14.523 0.487) 14.545 11.857 ( -0.252 15.979 -0.906) 16.007 12.926 ( 2.563 -20.365 1.144) 20.558 13.083 ( -0.968 -20.809 -0.064) 20.832 15.297 ( -1.214 25.279 1.875) 25.377 15.368 ( 0.434 26.117 -3.022) 26.295 16.649 ( -0.014 -15.241 0.703) 15.257 16.749 ( 0.979 -12.993 -4.612) 13.822 20.687 ( 0.062 0.156 -0.290) 0.335 20.708 ( -0.697 -0.263 -0.391) 0.842 20.741 ( 0.003 0.388 -0.082) 0.397 20.755 ( -0.455 0.067 -0.295) 0.547 21.534 ( -0.002 -0.741 -0.387) 0.837 21.551 ( -0.738 -1.110 -0.486) 1.419 21.643 ( 0.306 1.006 0.109) 1.057 21.675 ( -0.575 0.321 -0.052) 0.661 23.286 ( 0.009 0.647 0.307) 0.716 23.296 ( 0.300 0.514 -0.408) 0.722 23.522 ( -0.255 -0.570 0.399) 0.741 23.530 ( 0.140 -0.753 -0.403) 0.866 28.158 ( 0.661 1.765 1.942) 2.706 28.317 ( -1.187 -2.446 -2.775) 3.885 28.415 ( 2.154 -1.493 -0.290) 2.636 28.468 ( -1.015 -3.704 0.316) 3.853 31.798 ( 1.484 0.140 0.712) 1.652 31.806 ( 0.347 0.393 0.172) 0.552 31.824 ( 0.583 -0.402 0.764) 1.042 31.826 ( -0.842 -0.093 0.288) 0.895 35.703 ( -2.159 6.742 1.215) 7.183 36.015 ( -6.294 2.165 -4.508) 8.038 36.275 ( 0.226 -0.037 -0.187) 0.296 36.350 ( -4.245 -3.791 -0.395) 5.705 39.171 ( 0.287 4.360 3.925) 5.873 39.488 ( -7.485 2.253 -3.790) 8.687 39.573 ( 3.293 -1.109 0.737) 3.552 39.949 ( -7.378 -3.670 -5.140) 9.712 42.771 ( -1.906 0.413 3.552) 4.053 42.824 ( 1.151 -1.183 -0.995) 1.927 43.362 ( 8.348 1.564 2.387) 8.823 43.556 ( -0.582 -3.463 3.580) 5.015 84.921 ( 1.954 5.113 0.290) 5.481 85.242 ( 0.613 -2.960 0.242) 3.032 85.331 ( -4.171 1.880 2.608) 5.266 85.816 ( -12.578 -9.846 4.405) 16.570 ======================= Grid point 199 (109/116) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -0.449 5.976 2.971) 6.689 0.898 ( 1.000 3.988 -0.556) 4.149 1.007 ( 1.285 -7.430 1.169) 7.630 1.020 ( -0.343 -7.688 -0.117) 7.697 1.294 ( 6.768 5.348 7.004) 11.112 1.408 ( 3.431 -5.134 3.546) 7.121 1.436 ( -4.821 1.779 -5.656) 7.642 1.501 ( -4.713 -4.196 -4.299) 7.636 2.073 ( 2.008 17.509 2.567) 17.810 2.114 ( -1.198 16.637 -1.420) 16.741 2.380 ( 0.479 -1.619 1.554) 2.294 2.398 ( 0.220 0.321 -1.014) 1.086 2.492 ( -2.138 4.621 -0.167) 5.094 2.523 ( 1.644 1.850 -3.009) 3.896 2.792 ( 1.592 -13.233 1.965) 13.472 2.815 ( -3.088 -14.870 -0.012) 15.187 3.011 ( 2.138 3.505 1.007) 4.227 3.037 ( -1.659 2.416 -1.448) 3.269 3.316 ( 0.761 -2.186 2.161) 3.166 3.344 ( 0.065 -3.432 -0.563) 3.479 3.435 ( -0.218 -0.540 1.388) 1.506 3.477 ( -0.787 -4.290 -2.605) 5.081 3.762 ( 1.630 -0.312 1.243) 2.073 3.774 ( 0.240 -1.526 0.143) 1.551 4.123 ( 0.946 3.253 0.586) 3.438 4.142 ( -0.650 2.548 -1.236) 2.906 4.210 ( 0.006 -2.892 0.366) 2.915 4.228 ( -0.008 -3.366 -1.439) 3.661 4.735 ( 2.029 1.347 2.668) 3.612 4.758 ( -1.586 -0.839 1.652) 2.439 4.798 ( -0.488 1.930 -0.906) 2.187 4.821 ( 0.971 -0.286 -1.968) 2.213 5.160 ( 0.131 -1.289 0.731) 1.487 5.177 ( -0.576 -2.842 -0.916) 3.041 5.686 ( 1.052 0.799 1.321) 1.868 5.691 ( -1.144 0.322 0.890) 1.485 6.982 ( 3.211 16.287 6.322) 17.764 7.111 ( -3.740 13.602 -6.325) 15.459 7.340 ( 2.425 -15.611 4.739) 16.494 7.438 ( -1.690 -15.245 -4.925) 16.109 12.155 ( 1.113 19.509 1.598) 19.606 12.187 ( -1.283 19.547 -1.514) 19.647 12.577 ( 1.831 -20.907 2.054) 21.087 12.613 ( -1.904 -21.249 -1.413) 21.381 15.816 ( -0.465 25.689 2.449) 25.809 15.876 ( 0.309 26.038 -3.553) 26.281 16.294 ( -0.090 -21.642 2.368) 21.772 16.357 ( -0.212 -21.529 -4.098) 21.916 20.692 ( 0.072 0.121 -0.143) 0.201 20.692 ( -0.215 0.060 -0.204) 0.302 20.743 ( -0.120 0.061 0.019) 0.136 20.744 ( -0.141 -0.084 -0.141) 0.216 21.518 ( -0.127 -0.326 -0.154) 0.382 21.521 ( 0.008 -0.573 -0.400) 0.699 21.670 ( 0.388 0.379 0.154) 0.563 21.672 ( -0.194 0.210 -0.019) 0.286 23.300 ( -0.091 0.452 0.187) 0.498 23.303 ( 0.040 0.125 -0.162) 0.209 23.513 ( -0.059 -0.169 0.136) 0.225 23.516 ( 0.087 -0.470 -0.175) 0.509 28.213 ( 0.251 0.862 1.262) 1.549 28.235 ( -0.896 -1.229 -0.830) 1.732 28.410 ( -0.497 -0.641 0.168) 0.828 28.416 ( 0.563 -1.113 -0.341) 1.293 31.809 ( -0.530 0.049 0.295) 0.609 31.810 ( -0.204 -0.050 0.177) 0.275 31.831 ( 0.595 0.057 0.332) 0.684 31.833 ( 0.376 -0.100 0.173) 0.426 35.887 ( 1.710 5.402 2.491) 6.190 35.935 ( -1.483 1.329 -2.213) 2.977 36.227 ( -0.990 -1.668 -0.174) 1.947 36.241 ( 0.519 -2.442 -1.393) 2.859 39.338 ( 1.417 4.698 4.635) 6.750 39.399 ( 0.138 -0.437 -0.521) 0.694 39.638 ( 0.240 0.569 -0.267) 0.673 39.695 ( -2.768 -4.134 -5.098) 7.123 42.801 ( 0.014 1.333 2.057) 2.451 42.825 ( 1.207 -0.961 -0.217) 1.558 43.482 ( 0.888 -0.697 0.445) 1.213 43.493 ( 0.914 -1.841 -0.699) 2.171 85.160 ( 6.762 4.279 1.747) 8.190 85.188 ( -4.553 2.812 -1.079) 5.458 85.385 ( 7.509 -4.088 2.465) 8.898 85.425 ( -6.632 -6.684 -1.530) 9.540 ======================= Grid point 200 (110/116) ======================= q-point: ( 0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 3.740 6.017 0.456) 7.099 0.957 ( 5.999 4.052 -1.646) 7.424 1.047 ( 3.305 -6.115 -2.298) 7.322 1.079 ( 5.152 -8.102 0.360) 9.608 1.260 ( -4.176 4.946 -5.890) 8.751 1.378 ( -3.420 -6.686 -3.849) 8.439 1.499 ( 7.750 3.076 5.495) 9.986 1.558 ( 6.012 -3.219 3.659) 7.739 2.061 ( -2.220 18.427 -2.917) 18.788 2.116 ( 0.588 15.661 1.618) 15.755 2.352 ( -2.314 4.003 0.003) 4.624 2.395 ( -5.146 1.168 0.560) 5.306 2.430 ( 1.870 -0.729 -0.708) 2.129 2.578 ( 2.907 -2.972 -0.200) 4.162 2.744 ( -3.277 -11.286 0.492) 11.763 2.847 ( 1.144 -12.718 1.790) 12.894 2.978 ( -2.162 4.349 -0.905) 4.940 3.051 ( 0.282 -0.627 0.208) 0.718 3.315 ( -1.423 -2.222 -1.933) 3.270 3.331 ( -0.854 -2.814 0.542) 2.990 3.464 ( 0.673 -2.374 1.410) 2.842 3.479 ( 2.451 -3.244 -0.465) 4.093 3.753 ( -0.803 0.405 -1.515) 1.762 3.777 ( -0.055 -1.389 -0.682) 1.548 4.118 ( -0.350 2.915 -1.173) 3.162 4.156 ( 1.342 2.281 0.343) 2.669 4.208 ( 0.874 -1.255 0.059) 1.531 4.264 ( 2.986 -3.747 -0.041) 4.791 4.662 ( -7.204 3.227 -0.268) 7.899 4.716 ( -5.327 -1.046 0.099) 5.430 4.755 ( -3.328 0.954 0.553) 3.506 4.796 ( -2.356 -2.230 -1.322) 3.503 5.193 ( 4.103 0.861 0.197) 4.197 5.243 ( 5.691 -3.885 0.166) 6.893 5.710 ( 2.571 2.759 0.019) 3.771 5.750 ( 4.095 -1.297 0.243) 4.303 6.961 ( -4.890 15.882 -4.603) 17.244 7.109 ( 2.809 12.970 5.547) 14.383 7.303 ( -5.646 -15.031 -3.258) 16.384 7.420 ( 0.192 -14.872 1.934) 14.999 12.121 ( -2.495 18.905 -0.328) 19.071 12.210 ( 1.447 19.893 0.613) 19.955 12.533 ( -3.381 -20.434 -0.720) 20.724 12.644 ( 1.805 -21.581 0.862) 21.674 15.830 ( -0.510 25.817 2.097) 25.907 15.858 ( 0.689 25.466 -1.885) 25.545 16.307 ( -0.696 -21.413 0.738) 21.437 16.331 ( 0.305 -21.348 -0.330) 21.352 20.689 ( 0.006 0.360 0.067) 0.366 20.697 ( 0.301 -0.348 0.120) 0.475 20.745 ( 0.301 0.280 0.206) 0.460 20.749 ( 0.485 -0.143 0.224) 0.553 21.519 ( 0.251 -0.081 0.156) 0.306 21.525 ( 0.567 -0.741 0.069) 0.936 21.665 ( -0.347 0.794 -0.183) 0.886 21.676 ( 0.141 -0.257 -0.072) 0.302 23.298 ( -0.274 0.443 0.184) 0.552 23.301 ( -0.131 0.129 -0.087) 0.203 23.514 ( 0.023 -0.168 0.125) 0.210 23.517 ( 0.169 -0.462 -0.184) 0.525 28.215 ( -0.519 0.822 -0.406) 1.053 28.233 ( 0.373 -1.054 1.651) 1.994 28.393 ( -1.383 0.252 0.124) 1.411 28.417 ( -0.150 -2.102 -0.298) 2.129 31.803 ( -0.522 0.385 0.447) 0.788 31.811 ( -0.361 -0.355 0.376) 0.630 31.830 ( -0.133 0.195 -0.646) 0.688 31.835 ( 0.026 -0.240 -0.623) 0.668 35.884 ( 0.077 6.612 -1.304) 6.740 35.969 ( 3.226 -1.299 1.045) 3.631 36.251 ( 2.656 -0.283 0.776) 2.781 36.278 ( 3.727 -2.858 -0.111) 4.698 39.332 ( -1.306 5.664 -1.429) 5.986 39.442 ( 2.517 -4.451 -1.157) 5.243 39.616 ( 0.772 6.085 1.693) 6.363 39.754 ( 5.944 -6.702 2.802) 9.386 42.812 ( 0.091 1.458 0.081) 1.464 42.838 ( 1.284 -1.035 -2.127) 2.692 43.435 ( -3.174 2.539 -1.588) 4.364 43.511 ( 0.335 -5.112 -1.741) 5.411 85.055 ( -4.499 5.783 -1.749) 7.533 85.168 ( -4.272 -5.224 -1.151) 6.846 85.461 ( 10.342 6.490 -1.470) 12.298 85.643 ( 14.253 -11.249 -0.828) 18.176 ======================= Grid point 201 (111/116) ======================= q-point: ( 0.25 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 2.093 5.019 -4.909) 7.326 1.014 ( -1.244 1.079 -8.057) 8.224 1.075 ( 7.068 3.945 -1.029) 8.160 1.187 ( 4.994 -7.427 0.291) 8.954 1.240 ( 4.042 0.201 0.103) 4.048 1.333 ( 1.786 -7.149 -0.757) 7.407 1.653 ( 5.206 2.365 0.501) 5.740 1.712 ( 7.073 -2.130 2.123) 7.686 1.997 ( -0.876 20.568 -2.219) 20.706 2.128 ( -0.987 18.381 1.096) 18.440 2.299 ( -2.702 8.090 0.028) 8.529 2.336 ( -3.122 -2.799 3.040) 5.180 2.451 ( 1.215 -3.674 -0.899) 3.973 2.613 ( 0.165 -10.009 0.989) 10.059 2.673 ( -4.405 -5.152 -2.535) 7.237 2.855 ( -0.783 -10.245 -1.814) 10.434 2.952 ( -1.074 1.718 2.353) 3.105 3.042 ( -0.586 -4.265 0.437) 4.327 3.272 ( -1.127 -1.542 -1.261) 2.289 3.294 ( -2.286 -3.488 -0.711) 4.231 3.475 ( -0.729 0.143 0.925) 1.186 3.531 ( 3.890 -4.587 -0.665) 6.051 3.740 ( 0.257 1.541 -1.108) 1.915 3.777 ( 0.666 -1.832 -0.124) 1.954 4.102 ( 0.106 3.971 -1.338) 4.192 4.177 ( 0.701 -0.719 0.404) 1.082 4.247 ( 2.043 1.056 0.889) 2.466 4.318 ( 2.111 -3.528 0.540) 4.147 4.525 ( -6.381 4.964 0.324) 8.091 4.608 ( -5.003 -1.647 -0.566) 5.297 4.676 ( -5.036 -0.680 0.616) 5.119 4.716 ( -4.327 -3.219 -1.120) 5.508 5.306 ( 7.066 2.320 0.174) 7.439 5.361 ( 6.509 -2.887 -0.399) 7.132 5.768 ( 3.241 3.493 -0.583) 4.800 5.823 ( 3.504 -2.141 -0.835) 4.190 6.844 ( -3.211 16.190 -3.268) 16.825 7.151 ( -5.911 -4.038 -2.770) 7.676 7.203 ( 1.004 -1.159 4.216) 4.486 7.412 ( -2.434 -11.829 1.365) 12.153 12.087 ( -0.990 17.822 0.397) 17.854 12.224 ( -0.244 20.297 -0.213) 20.300 12.477 ( -1.995 -19.812 0.117) 19.913 12.660 ( -0.422 -21.886 -0.471) 21.895 15.835 ( 0.163 25.054 0.271) 25.056 15.864 ( 0.069 25.678 0.726) 25.688 16.298 ( 0.127 -20.865 -0.542) 20.872 16.341 ( -0.690 -21.446 2.044) 21.555 20.691 ( 0.034 0.411 0.078) 0.420 20.701 ( -0.022 -0.594 0.099) 0.602 20.755 ( 0.545 0.510 0.205) 0.774 20.762 ( 0.515 -0.124 0.250) 0.586 21.532 ( 0.807 0.284 0.560) 1.022 21.544 ( 1.049 -0.854 0.574) 1.469 21.659 ( -0.213 1.036 0.021) 1.057 21.677 ( 0.020 -0.699 -0.020) 0.699 23.294 ( -0.310 0.433 0.164) 0.557 23.297 ( -0.221 0.108 -0.040) 0.249 23.516 ( 0.039 -0.158 0.105) 0.194 23.519 ( 0.184 -0.448 -0.198) 0.523 28.209 ( 0.083 2.309 0.152) 2.316 28.255 ( 0.191 -2.294 1.926) 3.002 28.362 ( -1.900 0.998 -0.090) 2.148 28.404 ( -0.785 -3.121 -0.560) 3.267 31.786 ( -1.215 0.368 -0.726) 1.462 31.794 ( -1.246 -0.435 -0.563) 1.435 31.825 ( 0.159 0.492 -0.250) 0.574 31.834 ( 0.291 -0.395 -0.234) 0.544 35.912 ( 3.563 7.101 -0.367) 7.953 36.039 ( 3.449 -5.040 0.538) 6.131 36.309 ( 2.294 1.957 0.694) 3.094 36.359 ( 3.768 -3.083 0.870) 4.945 39.321 ( 1.919 6.241 -1.662) 6.738 39.454 ( 1.000 -6.604 -1.323) 6.809 39.711 ( 4.747 9.015 4.166) 11.007 39.891 ( 4.320 -8.343 4.058) 10.234 42.815 ( 0.763 1.168 -0.571) 1.507 42.840 ( 1.608 -1.204 -2.860) 3.495 43.357 ( -2.699 5.145 -2.248) 6.230 43.475 ( -1.465 -6.632 -3.226) 7.519 85.036 ( 2.827 4.589 2.064) 5.771 85.128 ( 0.767 -4.463 1.288) 4.708 85.629 ( 8.791 8.530 -4.088) 12.914 85.849 ( 9.883 -13.129 -5.641) 17.374 ======================= Grid point 202 (112/116) ======================= q-point: ( 0.38 0.43 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -1.228 3.269 -7.433) 8.213 0.919 ( -1.072 2.862 -5.676) 6.446 1.178 ( 3.076 -0.296 0.651) 3.158 1.239 ( 1.317 -6.835 -1.218) 7.067 1.366 ( 7.793 1.823 2.215) 8.304 1.431 ( 7.315 -4.430 2.186) 8.827 1.719 ( 2.597 5.474 -2.652) 6.614 1.823 ( 3.256 -4.750 -2.412) 6.244 2.003 ( 1.418 19.988 -0.138) 20.039 2.079 ( -3.777 25.365 0.520) 25.650 2.269 ( -2.370 5.787 2.787) 6.846 2.312 ( -1.532 -4.194 1.307) 4.653 2.449 ( -1.231 -2.021 -1.096) 2.608 2.535 ( -5.175 2.499 -4.656) 7.396 2.606 ( -0.785 -18.832 1.561) 18.913 2.799 ( -1.429 -12.721 -4.073) 13.433 2.974 ( -0.057 0.762 3.928) 4.002 3.043 ( -0.069 -3.421 0.524) 3.462 3.245 ( -0.482 -2.533 -0.947) 2.747 3.263 ( -1.558 -4.574 0.842) 4.905 3.503 ( 3.540 4.369 1.129) 5.735 3.614 ( 4.824 -5.982 -0.280) 7.690 3.720 ( -1.306 1.538 -1.174) 2.334 3.774 ( -1.672 -3.546 0.231) 3.927 4.109 ( 1.765 5.384 -0.495) 5.688 4.196 ( 0.368 1.936 0.610) 2.063 4.266 ( -0.501 -2.074 0.540) 2.201 4.342 ( -0.518 -4.414 0.707) 4.500 4.462 ( -0.532 4.515 0.813) 4.619 4.536 ( -1.791 -1.378 -0.566) 2.330 4.593 ( -4.096 -1.330 0.725) 4.367 4.629 ( -3.584 -3.494 -0.880) 5.082 5.444 ( 6.581 2.423 0.531) 7.033 5.474 ( 5.361 -0.490 -0.148) 5.385 5.806 ( 1.417 2.512 -0.765) 2.984 5.855 ( 0.691 -2.340 -1.254) 2.744 6.792 ( 0.197 14.551 -1.259) 14.607 7.001 ( -6.766 -1.246 -2.741) 7.406 7.257 ( 1.087 -3.642 2.948) 4.810 7.368 ( -2.548 -10.113 0.210) 10.431 12.090 ( 0.437 17.410 1.270) 17.461 12.201 ( -1.275 20.214 -1.316) 20.297 12.467 ( 0.136 -19.801 1.619) 19.867 12.624 ( -1.928 -21.548 -1.983) 21.725 15.844 ( 0.196 24.889 0.764) 24.902 15.867 ( -0.057 25.270 0.131) 25.271 16.304 ( 0.721 -20.673 0.070) 20.686 16.337 ( -1.183 -21.078 1.158) 21.143 20.691 ( -0.067 0.295 -0.044) 0.306 20.697 ( -0.313 -0.352 -0.122) 0.487 20.766 ( 0.405 0.407 0.079) 0.580 20.771 ( 0.190 -0.006 0.107) 0.218 21.557 ( 1.104 0.612 0.823) 1.507 21.572 ( 1.064 -0.809 0.802) 1.559 21.657 ( -0.093 0.882 0.281) 0.930 21.676 ( -0.108 -0.935 -0.034) 0.942 23.290 ( -0.223 0.398 0.163) 0.485 23.293 ( -0.150 0.118 -0.055) 0.199 23.517 ( -0.005 -0.145 0.094) 0.173 23.520 ( 0.140 -0.433 -0.204) 0.499 28.221 ( 0.738 2.746 0.829) 2.961 28.275 ( -0.087 -2.145 1.913) 2.875 28.323 ( -1.708 1.163 -0.350) 2.095 28.379 ( -0.957 -3.728 -1.200) 4.032 31.755 ( -0.912 0.196 -1.026) 1.387 31.761 ( -1.288 -0.413 -0.866) 1.606 31.828 ( 0.227 0.492 -0.015) 0.542 31.836 ( 0.036 -0.242 -0.172) 0.299 35.993 ( 4.220 5.480 0.772) 6.959 36.097 ( 1.886 -4.238 -0.275) 4.647 36.351 ( 1.702 2.266 0.864) 2.962 36.413 ( 1.024 -3.591 0.433) 3.759 39.368 ( 3.802 5.588 -0.686) 6.794 39.458 ( -0.453 -2.137 0.100) 2.187 39.841 ( 4.872 3.786 3.660) 7.174 39.971 ( 0.512 -7.735 2.928) 8.287 42.834 ( 1.096 0.888 0.413) 1.470 42.854 ( 2.292 -1.066 -2.103) 3.288 43.303 ( -0.856 4.611 -1.849) 5.042 43.406 ( -2.107 -5.702 -4.080) 7.321 85.175 ( 6.026 1.224 6.412) 8.884 85.216 ( 4.719 -2.631 5.528) 7.730 85.701 ( 3.674 7.767 -5.942) 10.447 85.902 ( 3.081 -12.166 -9.521) 15.753 ======================= Grid point 203 (113/116) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -3.067 4.073 -1.126) 5.221 0.859 ( 0.053 1.308 -4.345) 4.538 1.207 ( -0.173 -3.226 1.083) 3.407 1.236 ( 0.317 -5.628 -1.714) 5.891 1.559 ( 7.442 3.200 4.572) 9.302 1.612 ( 6.793 -1.983 4.704) 8.497 1.654 ( -6.689 4.168 -4.638) 9.144 1.717 ( -8.649 -2.042 -5.370) 10.383 2.032 ( 1.983 21.028 0.690) 21.133 2.050 ( -0.784 21.100 -0.981) 21.138 2.253 ( -2.107 5.164 4.053) 6.894 2.304 ( 0.401 -2.206 0.135) 2.246 2.424 ( 1.793 2.444 -1.957) 3.608 2.433 ( -1.595 2.002 -2.441) 3.537 2.648 ( 2.029 -20.349 3.318) 20.718 2.730 ( -1.597 -16.869 -4.723) 17.590 3.008 ( -0.116 1.032 3.204) 3.368 3.045 ( 0.266 -1.620 -0.420) 1.695 3.240 ( -0.965 -2.772 0.173) 2.940 3.250 ( 1.871 -3.561 -0.798) 4.101 3.600 ( 3.582 2.906 1.835) 4.964 3.629 ( -3.529 0.816 -1.173) 3.807 3.719 ( -2.832 -3.854 0.205) 4.787 3.731 ( 3.225 -5.301 -0.903) 6.271 4.155 ( 0.895 6.850 0.511) 6.927 4.174 ( 0.379 6.723 -1.328) 6.863 4.297 ( 1.441 -6.300 1.031) 6.544 4.314 ( -0.582 -6.047 -0.692) 6.114 4.483 ( -0.328 2.332 1.358) 2.718 4.508 ( -0.095 1.488 -1.067) 1.833 4.548 ( -2.403 -2.402 2.313) 4.110 4.588 ( 1.646 -4.166 -1.635) 4.769 5.526 ( 0.297 2.093 0.574) 2.190 5.534 ( 0.262 1.390 -0.190) 1.427 5.818 ( 0.369 -0.035 0.256) 0.451 5.829 ( -1.652 -1.104 -0.878) 2.172 6.832 ( 3.240 9.429 0.781) 10.001 6.861 ( -4.091 7.443 -2.176) 8.767 7.301 ( 0.401 -7.351 2.045) 7.641 7.334 ( 0.369 -9.658 -1.296) 9.751 12.121 ( 0.853 18.061 1.981) 18.189 12.160 ( -1.001 19.145 -1.949) 19.270 12.506 ( 1.539 -20.166 2.801) 20.418 12.563 ( -1.818 -20.752 -2.776) 21.016 15.844 ( -1.483 25.132 1.710) 25.234 15.877 ( 1.845 24.839 -1.487) 24.952 16.311 ( -1.372 -20.959 1.382) 21.049 16.336 ( 1.839 -20.523 -1.078) 20.633 20.690 ( 0.067 0.113 -0.005) 0.131 20.691 ( -0.111 -0.027 -0.142) 0.182 20.771 ( -0.123 0.233 0.124) 0.291 20.772 ( 0.034 0.100 -0.003) 0.105 21.582 ( 0.453 0.520 0.646) 0.944 21.588 ( 0.043 -0.007 0.090) 0.101 21.662 ( 0.311 -0.006 0.458) 0.553 21.671 ( -0.240 -0.770 -0.340) 0.876 23.289 ( -0.073 0.373 0.165) 0.415 23.291 ( 0.049 0.133 -0.084) 0.165 23.517 ( -0.069 -0.137 0.109) 0.188 23.520 ( 0.081 -0.428 -0.190) 0.475 28.245 ( -0.376 2.359 1.803) 2.993 28.275 ( 0.295 2.154 -0.820) 2.323 28.312 ( -0.219 -2.566 1.767) 3.123 28.353 ( 0.096 -3.803 -1.928) 4.265 31.737 ( -0.523 -0.060 -0.283) 0.598 31.739 ( -0.031 -0.207 -0.437) 0.485 31.832 ( 0.137 0.212 -0.019) 0.253 31.833 ( -0.098 0.061 -0.180) 0.214 36.066 ( 1.685 2.533 1.357) 3.331 36.090 ( -1.624 0.173 -1.111) 1.976 36.394 ( 1.438 -0.965 0.925) 1.963 36.408 ( -0.969 -2.241 -0.504) 2.493 39.426 ( -2.880 3.336 0.410) 4.427 39.434 ( 2.822 2.524 -0.326) 3.800 39.945 ( 0.919 -2.198 2.829) 3.698 39.973 ( 0.092 -4.838 0.121) 4.840 42.849 ( -0.603 1.171 0.909) 1.600 42.876 ( 1.344 -1.436 -1.769) 2.645 43.295 ( 0.752 1.371 0.047) 1.564 43.332 ( -1.287 -2.401 -3.633) 4.541 85.319 ( 2.667 0.966 5.503) 6.191 85.353 ( 1.907 -2.281 3.876) 4.885 85.688 ( 0.110 2.716 -1.279) 3.004 85.800 ( -3.400 -8.424 -10.583) 13.947 ======================= Grid point 204 (114/116) ======================= q-point: (-0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -2.231 5.533 4.112) 7.246 0.852 ( 0.787 -0.233 0.992) 1.287 1.195 ( -2.223 -3.011 -0.247) 3.750 1.221 ( -1.514 -5.078 -0.360) 5.311 1.408 ( -11.156 3.938 -2.593) 12.111 1.486 ( -10.215 -4.017 -3.436) 11.502 1.665 ( -0.326 4.671 2.894) 5.504 1.755 ( 0.987 -4.236 4.314) 6.126 2.013 ( -1.459 19.560 -1.095) 19.645 2.080 ( 2.740 25.045 0.138) 25.195 2.275 ( 0.686 -4.845 3.879) 6.245 2.328 ( 1.680 11.042 -1.874) 11.325 2.449 ( 4.385 -4.086 2.063) 6.339 2.475 ( 3.561 2.349 -1.637) 4.569 2.654 ( -0.671 -17.108 -2.791) 17.347 2.730 ( 2.473 -16.816 2.212) 17.141 3.020 ( -0.360 0.515 0.467) 0.783 3.046 ( 0.182 -1.996 -0.472) 2.059 3.236 ( 0.682 -0.547 -0.216) 0.900 3.289 ( 2.608 -5.642 -1.596) 6.417 3.528 ( -4.512 2.364 -1.247) 5.244 3.603 ( -4.503 -4.492 0.729) 6.402 3.699 ( 1.014 2.170 0.814) 2.529 3.781 ( 1.671 -5.714 -0.727) 5.997 4.114 ( -1.718 6.490 -0.960) 6.782 4.222 ( 0.934 1.014 -1.867) 2.321 4.279 ( 1.480 -1.453 -0.622) 2.165 4.360 ( 1.544 -4.257 -0.915) 4.620 4.460 ( -0.932 2.462 1.054) 2.835 4.516 ( 0.774 -2.384 1.510) 2.926 4.579 ( 3.457 0.938 1.238) 3.790 4.638 ( 4.180 -3.933 -1.196) 5.862 5.457 ( -6.688 1.806 -0.708) 6.963 5.472 ( -5.823 0.418 0.140) 5.840 5.791 ( -2.153 1.600 0.681) 2.767 5.827 ( -1.250 -1.973 1.477) 2.764 6.779 ( -1.659 14.366 -0.011) 14.461 6.959 ( 6.759 0.842 1.475) 6.970 7.292 ( -0.553 -5.435 -0.601) 5.496 7.379 ( 3.936 -9.728 -0.866) 10.530 12.114 ( -1.140 18.366 -0.839) 18.420 12.174 ( 1.826 19.165 1.119) 19.285 12.502 ( -1.287 -20.215 -1.705) 20.327 12.579 ( 2.524 -20.947 2.273) 21.221 15.829 ( -1.505 24.942 1.289) 25.021 15.900 ( 2.108 25.462 -2.013) 25.628 16.294 ( -1.267 -21.019 0.801) 21.072 16.371 ( 2.849 -20.828 -1.789) 21.098 20.691 ( 0.156 0.223 -0.057) 0.278 20.695 ( 0.385 -0.174 0.099) 0.434 20.766 ( -0.430 0.425 0.111) 0.615 20.771 ( -0.190 -0.083 0.044) 0.212 21.572 ( -1.045 0.682 -0.499) 1.344 21.584 ( -0.686 -0.508 -0.354) 0.924 21.664 ( -0.025 0.171 -0.402) 0.437 21.673 ( 0.269 -0.638 0.278) 0.746 23.290 ( 0.085 0.400 0.138) 0.431 23.293 ( 0.247 0.110 -0.088) 0.284 23.517 ( -0.122 -0.140 0.134) 0.229 23.520 ( 0.028 -0.440 -0.165) 0.471 28.227 ( -1.578 3.449 0.466) 3.822 28.296 ( 0.496 -1.478 -0.023) 1.559 28.322 ( 1.061 -0.936 0.288) 1.444 28.362 ( 1.713 -3.066 -0.288) 3.524 31.738 ( 0.520 0.333 0.577) 0.845 31.748 ( 0.928 -0.585 0.428) 1.178 31.829 ( -0.174 0.343 -0.116) 0.402 31.834 ( 0.002 -0.086 0.038) 0.094 36.010 ( -4.769 4.246 -0.810) 6.437 36.088 ( -1.140 -2.807 0.615) 3.092 36.368 ( -1.832 1.377 -0.710) 2.399 36.419 ( -0.134 -3.299 -0.124) 3.304 39.356 ( -4.441 6.320 0.543) 7.743 39.462 ( 0.011 -3.175 -0.285) 3.188 39.892 ( -4.112 3.007 -1.050) 5.201 40.011 ( 1.026 -7.629 -0.890) 7.749 42.824 ( -2.551 1.213 0.902) 2.965 42.857 ( -1.534 -1.977 -1.912) 3.149 43.290 ( 0.443 2.918 -0.605) 3.013 43.349 ( 2.828 -2.869 1.177) 4.196 85.296 ( -5.635 0.640 -4.916) 7.505 85.327 ( -4.516 -2.144 -3.228) 5.951 85.633 ( -5.646 1.794 -1.190) 6.043 85.724 ( -1.229 -6.796 7.065) 9.880 ======================= Grid point 205 (115/116) ======================= q-point: (-0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -0.478 5.969 7.707) 9.760 0.894 ( 0.776 -0.396 4.216) 4.305 1.072 ( -8.330 4.741 -0.765) 9.615 1.170 ( -4.439 -6.116 1.395) 7.685 1.247 ( -6.253 -1.243 -0.180) 6.378 1.318 ( -5.026 -6.817 0.599) 8.491 1.650 ( -1.947 3.404 0.580) 3.964 1.733 ( -4.047 -4.054 0.003) 5.728 1.977 ( -0.983 20.685 -0.109) 20.708 2.134 ( 1.560 22.103 0.440) 22.163 2.311 ( 0.462 -3.305 -0.140) 3.340 2.352 ( 2.792 4.310 0.187) 5.139 2.492 ( 1.126 -0.696 -3.891) 4.110 2.579 ( 3.407 6.741 3.952) 8.525 2.658 ( 2.981 -20.543 -0.958) 20.781 2.800 ( 2.489 -11.688 2.642) 12.239 3.005 ( -0.387 -1.707 -2.199) 2.811 3.045 ( -0.179 -2.900 0.466) 2.942 3.261 ( 1.609 -0.797 0.238) 1.811 3.290 ( -0.247 -2.625 -0.923) 2.793 3.492 ( 1.845 -1.316 -0.780) 2.397 3.522 ( -3.913 -3.507 0.350) 5.266 3.713 ( -0.751 2.416 1.393) 2.888 3.774 ( -1.924 -3.542 -0.000) 4.031 4.091 ( 0.076 5.373 -0.337) 5.384 4.197 ( -0.508 -3.693 -1.556) 4.040 4.276 ( -1.803 2.183 -1.895) 3.407 4.337 ( -2.173 -2.703 -1.239) 3.683 4.513 ( 5.136 4.148 1.498) 6.770 4.587 ( 4.561 -2.263 1.373) 5.274 4.667 ( 4.377 0.371 1.055) 4.518 4.717 ( 5.061 -3.454 -0.776) 6.176 5.311 ( -7.278 1.994 -0.311) 7.552 5.353 ( -6.358 -1.977 0.393) 6.669 5.746 ( -3.613 2.783 1.414) 4.775 5.792 ( -3.823 -1.924 2.086) 4.761 6.790 ( 1.573 17.060 2.054) 17.256 7.097 ( 5.781 -8.261 2.261) 10.333 7.274 ( -0.194 1.390 -2.627) 2.979 7.445 ( 3.942 -10.400 -1.816) 11.269 12.096 ( 0.087 18.064 -0.484) 18.071 12.214 ( 1.202 20.060 0.749) 20.110 12.483 ( 0.589 -20.045 -0.566) 20.062 12.639 ( 1.506 -21.675 1.612) 21.787 15.814 ( -1.222 24.985 1.317) 25.049 15.913 ( 1.538 26.298 -2.982) 26.511 16.281 ( -0.834 -21.208 0.839) 21.241 16.400 ( 2.439 -21.579 -3.377) 21.977 20.694 ( 0.171 0.401 -0.164) 0.466 20.703 ( 0.280 -0.514 -0.035) 0.586 20.758 ( -0.476 0.555 0.002) 0.731 20.765 ( -0.437 -0.190 -0.063) 0.481 21.546 ( -0.940 0.412 -0.734) 1.262 21.558 ( -1.212 -0.825 -0.805) 1.672 21.661 ( -0.036 0.800 -0.203) 0.827 21.676 ( -0.086 -0.651 0.080) 0.662 23.294 ( 0.168 0.452 0.121) 0.498 23.298 ( 0.322 0.070 -0.114) 0.349 23.515 ( -0.151 -0.154 0.147) 0.261 23.518 ( -0.003 -0.458 -0.156) 0.484 28.207 ( -0.835 3.629 0.403) 3.746 28.285 ( -0.691 -3.866 -0.736) 3.996 28.361 ( 2.208 0.556 0.005) 2.277 28.394 ( 1.330 -2.662 0.275) 2.988 31.765 ( 1.365 0.511 1.142) 1.852 31.778 ( 1.422 -0.690 0.955) 1.846 31.824 ( -0.340 0.459 -0.072) 0.576 31.831 ( -0.353 -0.277 0.097) 0.459 35.910 ( -4.634 6.844 -0.175) 8.267 36.046 ( -2.951 -6.093 -0.146) 6.771 36.326 ( -1.920 2.456 -0.923) 3.251 36.382 ( -3.153 -2.958 -1.236) 4.497 39.287 ( -3.300 6.748 1.557) 7.671 39.433 ( -2.681 -7.544 0.671) 8.034 39.793 ( -3.881 8.647 -3.575) 10.130 39.971 ( -3.152 -8.487 -3.565) 9.730 42.788 ( -2.247 0.637 2.117) 3.152 42.807 ( -1.890 -1.290 0.003) 2.289 43.327 ( 3.251 4.866 0.555) 5.878 43.421 ( 2.871 -4.444 1.964) 5.643 85.111 ( -6.886 2.761 -5.290) 9.112 85.179 ( -4.093 -3.773 -3.858) 6.773 85.545 ( -6.674 7.205 3.935) 10.580 85.723 ( -6.204 -10.289 6.664) 13.739 ======================= Grid point 206 (116/116) ======================= q-point: (-0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.53e-05 6.53e-05 6.53e-05 6.53e-05 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -2.125 5.039 5.165) 7.522 0.937 ( -5.109 6.518 0.797) 8.320 0.966 ( 1.391 -3.024 4.922) 5.942 1.078 ( -5.377 -7.487 0.639) 9.240 1.175 ( -0.935 2.282 2.957) 3.850 1.304 ( 1.303 -8.419 3.762) 9.312 1.591 ( -3.968 0.867 -3.463) 5.337 1.625 ( -5.119 -2.000 -3.142) 6.331 2.003 ( 2.241 19.796 2.469) 20.075 2.137 ( -0.499 16.279 -0.606) 16.298 2.338 ( 1.753 2.585 1.132) 3.322 2.396 ( 1.399 -1.745 -0.072) 2.238 2.475 ( 2.000 2.045 -4.420) 5.264 2.588 ( -2.625 3.654 -0.328) 4.511 2.734 ( 3.067 -16.125 1.217) 16.459 2.849 ( -0.010 -11.459 1.170) 11.519 2.982 ( 0.215 0.024 -0.882) 0.908 3.051 ( 0.425 -2.153 0.192) 2.203 3.280 ( 1.023 0.331 1.217) 1.624 3.324 ( 1.754 -2.905 0.971) 3.530 3.461 ( -2.776 -0.147 0.024) 2.780 3.518 ( 0.589 -5.115 -2.344) 5.657 3.719 ( 0.517 1.027 1.917) 2.236 3.748 ( -0.403 -1.369 2.127) 2.561 4.102 ( 0.761 4.057 0.299) 4.139 4.176 ( -0.865 -0.492 -1.451) 1.760 4.218 ( -1.646 0.103 -0.914) 1.885 4.276 ( -2.745 -3.187 -1.172) 4.366 4.637 ( 5.413 3.043 1.951) 6.509 4.694 ( 4.622 -1.803 1.948) 5.329 4.757 ( 4.122 1.218 0.420) 4.319 4.799 ( 3.693 -1.979 -1.082) 4.327 5.195 ( -4.347 1.223 -0.085) 4.517 5.247 ( -4.898 -3.534 -0.198) 6.043 5.692 ( -2.957 2.676 1.642) 4.313 5.733 ( -4.032 -1.458 1.850) 4.669 6.867 ( 3.272 17.433 4.332) 18.258 7.219 ( -0.672 -6.610 -1.391) 6.788 7.226 ( 3.555 1.362 0.113) 3.808 7.479 ( 1.624 -12.776 -3.235) 13.279 12.112 ( 1.536 18.617 0.513) 18.688 12.222 ( -0.609 19.925 -0.490) 19.940 12.515 ( 2.339 -20.234 1.012) 20.394 12.654 ( -0.862 -21.740 0.020) 21.757 15.809 ( -0.816 25.282 1.764) 25.357 15.902 ( 0.646 26.598 -3.700) 26.862 16.280 ( -0.364 -21.462 1.428) 21.512 16.394 ( 0.826 -21.947 -4.556) 22.430 20.693 ( 0.026 0.391 -0.301) 0.494 20.701 ( -0.261 -0.401 -0.297) 0.563 20.749 ( -0.384 0.335 -0.163) 0.535 20.754 ( -0.551 -0.188 -0.226) 0.624 21.526 ( -0.434 -0.038 -0.576) 0.722 21.533 ( -0.708 -0.660 -0.606) 1.142 21.662 ( 0.224 0.843 0.145) 0.885 21.674 ( -0.130 -0.375 0.108) 0.411 23.298 ( 0.105 0.474 0.141) 0.506 23.302 ( 0.226 0.075 -0.159) 0.286 23.514 ( -0.137 -0.165 0.142) 0.257 23.517 ( 0.011 -0.470 -0.165) 0.498 28.203 ( -0.195 2.673 0.776) 2.790 28.261 ( -0.927 -3.029 -0.978) 3.315 28.396 ( 1.523 -0.173 -0.152) 1.540 28.412 ( 0.407 -1.821 0.095) 1.868 31.803 ( 1.443 0.385 0.782) 1.686 31.811 ( 0.881 -0.160 0.373) 0.970 31.817 ( -0.136 0.012 0.568) 0.584 31.822 ( -0.732 -0.269 0.276) 0.827 35.856 ( -1.192 7.936 1.293) 8.128 35.990 ( -2.443 -4.656 -0.850) 5.326 36.275 ( -2.112 0.194 -1.501) 2.598 36.291 ( -4.257 -1.742 -1.508) 4.841 39.276 ( -0.016 5.983 3.354) 6.859 39.402 ( -1.738 -6.389 2.526) 7.086 39.688 ( -2.721 7.947 -4.740) 9.645 39.840 ( -5.704 -6.909 -5.180) 10.349 42.783 ( -0.807 0.768 2.856) 3.065 42.801 ( 0.319 -1.072 1.423) 1.810 43.409 ( 4.318 3.074 0.808) 5.361 43.480 ( 1.512 -3.891 1.232) 4.352 85.034 ( 2.191 5.951 0.240) 6.346 85.150 ( 2.883 -5.529 0.462) 6.253 85.426 ( -8.388 7.276 1.958) 11.276 85.607 ( -10.170 -10.414 2.603) 14.787 =================== 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 3/32928 10.0 2.581 3.827 2.135 0.000 1.390 0.000 3/32928 20.0 1.166 2.295 0.840 0.000 0.565 0.000 3/32928 30.0 0.748 1.634 0.514 0.000 0.350 0.000 3/32928 40.0 0.550 1.283 0.371 0.000 0.251 0.000 3/32928 50.0 0.440 1.062 0.293 0.000 0.196 0.000 3/32928 60.0 0.370 0.910 0.243 0.000 0.161 0.000 3/32928 70.0 0.321 0.803 0.209 0.000 0.138 0.000 3/32928 80.0 0.285 0.726 0.184 0.000 0.120 0.000 3/32928 90.0 0.257 0.669 0.165 0.000 0.107 0.000 3/32928 100.0 0.234 0.627 0.149 0.000 0.097 0.000 3/32928 110.0 0.216 0.594 0.137 0.000 0.089 0.000 3/32928 120.0 0.200 0.569 0.126 0.000 0.082 0.000 3/32928 130.0 0.186 0.548 0.117 0.000 0.076 0.000 3/32928 140.0 0.174 0.530 0.109 0.000 0.070 0.000 3/32928 150.0 0.164 0.515 0.102 0.000 0.066 0.000 3/32928 160.0 0.154 0.501 0.096 0.000 0.062 0.000 3/32928 170.0 0.146 0.488 0.091 0.000 0.059 0.000 3/32928 180.0 0.139 0.476 0.086 0.000 0.055 0.000 3/32928 190.0 0.132 0.465 0.082 0.000 0.053 0.000 3/32928 200.0 0.126 0.454 0.078 0.000 0.050 0.000 3/32928 210.0 0.120 0.444 0.075 0.000 0.048 0.000 3/32928 220.0 0.115 0.434 0.072 0.000 0.046 0.000 3/32928 230.0 0.111 0.424 0.069 0.000 0.044 0.000 3/32928 240.0 0.107 0.415 0.066 0.000 0.042 0.000 3/32928 250.0 0.103 0.405 0.064 0.000 0.040 0.000 3/32928 260.0 0.099 0.396 0.062 0.000 0.039 0.000 3/32928 270.0 0.096 0.388 0.060 0.000 0.038 0.000 3/32928 280.0 0.093 0.379 0.058 0.000 0.036 0.000 3/32928 290.0 0.090 0.371 0.056 0.000 0.035 0.000 3/32928 300.0 0.087 0.363 0.055 0.000 0.034 0.000 3/32928 310.0 0.085 0.356 0.053 0.000 0.033 0.000 3/32928 320.0 0.082 0.348 0.052 0.000 0.032 0.000 3/32928 330.0 0.080 0.341 0.051 0.000 0.031 0.000 3/32928 340.0 0.078 0.334 0.049 0.000 0.030 0.000 3/32928 350.0 0.076 0.328 0.048 0.000 0.029 0.000 3/32928 360.0 0.075 0.321 0.047 0.000 0.029 0.000 3/32928 370.0 0.073 0.315 0.046 0.000 0.028 0.000 3/32928 380.0 0.071 0.309 0.045 0.000 0.027 0.000 3/32928 390.0 0.070 0.303 0.044 0.000 0.027 0.000 3/32928 400.0 0.068 0.297 0.043 0.000 0.026 0.000 3/32928 410.0 0.067 0.292 0.043 0.000 0.025 0.000 3/32928 420.0 0.065 0.287 0.042 0.000 0.025 0.000 3/32928 430.0 0.064 0.282 0.041 0.000 0.024 0.000 3/32928 440.0 0.063 0.277 0.040 0.000 0.024 0.000 3/32928 450.0 0.062 0.272 0.040 0.000 0.023 0.000 3/32928 460.0 0.061 0.267 0.039 0.000 0.023 0.000 3/32928 470.0 0.060 0.263 0.038 0.000 0.022 0.000 3/32928 480.0 0.059 0.258 0.038 0.000 0.022 0.000 3/32928 490.0 0.058 0.254 0.037 0.000 0.021 0.000 3/32928 500.0 0.057 0.250 0.037 0.000 0.021 0.000 3/32928 510.0 0.056 0.246 0.036 0.000 0.021 0.000 3/32928 520.0 0.055 0.242 0.036 0.000 0.020 0.000 3/32928 530.0 0.054 0.238 0.035 0.000 0.020 0.000 3/32928 540.0 0.053 0.235 0.035 0.000 0.020 0.000 3/32928 550.0 0.052 0.231 0.034 0.000 0.019 0.000 3/32928 560.0 0.052 0.228 0.034 0.000 0.019 0.000 3/32928 570.0 0.051 0.224 0.033 0.000 0.019 0.000 3/32928 580.0 0.050 0.221 0.033 0.000 0.018 0.000 3/32928 590.0 0.049 0.218 0.032 0.000 0.018 0.000 3/32928 600.0 0.049 0.215 0.032 0.000 0.018 0.000 3/32928 610.0 0.048 0.212 0.032 0.000 0.017 0.000 3/32928 620.0 0.047 0.209 0.031 0.000 0.017 0.000 3/32928 630.0 0.047 0.206 0.031 0.000 0.017 0.000 3/32928 640.0 0.046 0.203 0.031 0.000 0.017 0.000 3/32928 650.0 0.046 0.200 0.030 0.000 0.016 0.000 3/32928 660.0 0.045 0.198 0.030 0.000 0.016 0.000 3/32928 670.0 0.045 0.195 0.029 0.000 0.016 0.000 3/32928 680.0 0.044 0.193 0.029 0.000 0.016 0.000 3/32928 690.0 0.043 0.190 0.029 0.000 0.016 0.000 3/32928 700.0 0.043 0.188 0.029 0.000 0.015 0.000 3/32928 710.0 0.042 0.186 0.028 0.000 0.015 0.000 3/32928 720.0 0.042 0.183 0.028 0.000 0.015 0.000 3/32928 730.0 0.041 0.181 0.028 0.000 0.015 0.000 3/32928 740.0 0.041 0.179 0.027 0.000 0.015 0.000 3/32928 750.0 0.041 0.177 0.027 0.000 0.014 0.000 3/32928 760.0 0.040 0.175 0.027 0.000 0.014 0.000 3/32928 770.0 0.040 0.173 0.027 0.000 0.014 0.000 3/32928 780.0 0.039 0.171 0.026 0.000 0.014 0.000 3/32928 790.0 0.039 0.169 0.026 0.000 0.014 0.000 3/32928 800.0 0.038 0.167 0.026 0.000 0.014 0.000 3/32928 810.0 0.038 0.165 0.025 0.000 0.013 0.000 3/32928 820.0 0.038 0.163 0.025 0.000 0.013 0.000 3/32928 830.0 0.037 0.161 0.025 0.000 0.013 0.000 3/32928 840.0 0.037 0.160 0.025 0.000 0.013 0.000 3/32928 850.0 0.036 0.158 0.025 0.000 0.013 0.000 3/32928 860.0 0.036 0.156 0.024 0.000 0.013 0.000 3/32928 870.0 0.036 0.155 0.024 0.000 0.012 0.000 3/32928 880.0 0.035 0.153 0.024 0.000 0.012 0.000 3/32928 890.0 0.035 0.151 0.024 0.000 0.012 0.000 3/32928 900.0 0.035 0.150 0.023 0.000 0.012 0.000 3/32928 910.0 0.034 0.148 0.023 0.000 0.012 0.000 3/32928 920.0 0.034 0.147 0.023 0.000 0.012 0.000 3/32928 930.0 0.034 0.145 0.023 0.000 0.012 0.000 3/32928 940.0 0.033 0.144 0.023 0.000 0.012 0.000 3/32928 950.0 0.033 0.143 0.022 0.000 0.011 0.000 3/32928 960.0 0.033 0.141 0.022 0.000 0.011 0.000 3/32928 970.0 0.033 0.140 0.022 0.000 0.011 0.000 3/32928 980.0 0.032 0.138 0.022 0.000 0.011 0.000 3/32928 990.0 0.032 0.137 0.022 0.000 0.011 0.000 3/32928 1000.0 0.032 0.136 0.021 0.000 0.011 0.000 3/32928 Thermal conductivity related properties were written into "kappa-m877.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:56:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|