----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:36:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -6.797579895000000 6.797579895000000 2.821540325000000 b 6.797579895000000 -6.797579895000000 2.821540325000000 c 6.797579895000000 6.797579895000000 -2.821540325000000 Atomic positions (fractional): *1 O 0.49372956791681 0.89973138245878 0.89077321461544 15.999 2 O 0.60295635330137 0.49372956791681 0.59399818545803 15.999 3 O 0.89973138245878 0.00895816784335 0.40600181454197 15.999 4 O 0.00895816784335 0.60295635330137 0.10922678538456 15.999 5 O 0.50627043208319 0.10026861754122 0.10922678538456 15.999 6 O 0.39704364669863 0.50627043208319 0.40600181454197 15.999 7 O 0.10026861754122 0.99104183215665 0.59399818545803 15.999 8 O 0.99104183215665 0.39704364669863 0.89077321461544 15.999 *9 O 0.29930494304243 0.07360840345338 0.87146928406526 15.999 10 O 0.42783565897718 0.29930494304244 0.22569653958906 15.999 11 O 0.07360840345338 0.20213911938812 0.77430346041094 15.999 12 O 0.20213911938812 0.42783565897718 0.12853071593474 15.999 13 O 0.70069505695756 0.92639159654662 0.12853071593474 15.999 14 O 0.57216434102282 0.70069505695756 0.77430346041094 15.999 15 O 0.92639159654662 0.79786088061188 0.22569653958906 15.999 16 O 0.79786088061188 0.57216434102282 0.87146928406526 15.999 *17 O 0.03918895033820 0.62909416806590 0.66828311840410 15.999 *18 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 19 O 0.96081104966179 0.37090583193410 0.33171688159590 15.999 20 O 0.62909416806590 0.96081104966179 0.58990521772769 15.999 21 O 0.37090583193410 0.03918895033821 0.41009478227231 15.999 *22 Zn 0.75030961926303 0.04042724852146 0.79073686778449 65.380 23 Zn 0.95957275147854 0.75030961926303 0.70988237074158 65.380 24 Zn 0.04042724852146 0.24969038073697 0.29011762925842 65.380 25 Zn 0.24969038073697 0.95957275147854 0.20926313221551 65.380 *26 Ba 0.85993619399919 0.53632694022634 0.39626313422553 137.327 27 Ba 0.46367305977366 0.85993619399919 0.32360925377285 137.327 28 Ba 0.53632694022634 0.14006380600081 0.67639074622715 137.327 29 Ba 0.14006380600081 0.46367305977366 0.60373686577447 137.327 *30 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 *31 Er 0.64246941676887 0.41200664015169 0.05447605692056 167.259 32 Er 0.58799335984831 0.64246941676887 0.23046277661718 167.259 33 Er 0.41200664015169 0.35753058323113 0.76953722338282 167.259 34 Er 0.35753058323113 0.58799335984831 0.94552394307944 167.259 *35 Er 0.83199334370182 0.24727857565045 0.07927191935226 167.259 36 Er 0.75272142434955 0.83199334370182 0.58471476805137 167.259 37 Er 0.24727857565045 0.16800665629818 0.41528523194863 167.259 38 Er 0.16800665629818 0.75272142434955 0.92072808064774 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.595159790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.595159790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.643080650000000 Atomic positions (fractional): *1 O 0.64838751457871 0.24238570003673 0.25134386788008 15.999 > 1 2 O 0.74238570003673 0.85161248542129 0.75134386788008 15.999 > 2 3 O 0.25761429996327 0.14838751457871 0.75134386788008 15.999 > 3 4 O 0.35161248542129 0.75761429996327 0.25134386788008 15.999 > 4 5 O 0.35161248542129 0.75761429996327 0.74865613211992 15.999 > 5 6 O 0.25761429996327 0.14838751457871 0.24865613211992 15.999 > 6 7 O 0.74238570003673 0.85161248542129 0.24865613211992 15.999 > 7 8 O 0.64838751457871 0.24238570003673 0.74865613211992 15.999 > 8 *9 O 0.82288637223810 0.04858291182716 0.25072203121528 15.999 > 9 10 O 0.54858291182716 0.67711362776190 0.75072203121528 15.999 > 10 11 O 0.45141708817284 0.32288637223810 0.75072203121528 15.999 > 11 12 O 0.17711362776190 0.95141708817284 0.25072203121528 15.999 > 12 13 O 0.17711362776190 0.95141708817284 0.74927796878472 15.999 > 13 14 O 0.45141708817284 0.32288637223810 0.24927796878472 15.999 > 14 15 O 0.54858291182716 0.67711362776190 0.24927796878472 15.999 > 15 16 O 0.82288637223810 0.04858291182716 0.74927796878472 15.999 > 16 *17 O 0.62909416806590 0.03918895033820 0.00000000000000 15.999 > 17 *18 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 18 19 O 0.37090583193410 0.96081104966179 0.00000000000000 15.999 > 19 20 O 0.46081104966179 0.12909416806590 0.50000000000000 15.999 > 20 21 O 0.53918895033821 0.87090583193410 0.50000000000000 15.999 > 21 22 O 0.14838751457871 0.74238570003673 0.75134386788008 15.999 > 1 23 O 0.24238570003673 0.35161248542129 0.25134386788008 15.999 > 2 24 O 0.75761429996327 0.64838751457871 0.25134386788008 15.999 > 3 25 O 0.85161248542129 0.25761429996327 0.75134386788008 15.999 > 4 26 O 0.85161248542129 0.25761429996327 0.24865613211992 15.999 > 5 27 O 0.75761429996327 0.64838751457871 0.74865613211992 15.999 > 6 28 O 0.24238570003673 0.35161248542129 0.74865613211992 15.999 > 7 29 O 0.14838751457871 0.74238570003673 0.24865613211992 15.999 > 8 30 O 0.32288637223810 0.54858291182716 0.75072203121528 15.999 > 9 31 O 0.04858291182716 0.17711362776190 0.25072203121528 15.999 > 10 32 O 0.95141708817284 0.82288637223810 0.25072203121528 15.999 > 11 33 O 0.67711362776190 0.45141708817284 0.75072203121528 15.999 > 12 34 O 0.67711362776190 0.45141708817284 0.24927796878472 15.999 > 13 35 O 0.95141708817284 0.82288637223810 0.74927796878472 15.999 > 14 36 O 0.04858291182716 0.17711362776190 0.74927796878472 15.999 > 15 37 O 0.32288637223810 0.54858291182716 0.24927796878472 15.999 > 16 38 O 0.12909416806590 0.53918895033821 0.50000000000000 15.999 > 17 39 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 18 40 O 0.87090583193410 0.46081104966179 0.50000000000000 15.999 > 19 41 O 0.96081104966179 0.62909416806590 0.00000000000000 15.999 > 20 42 O 0.03918895033820 0.37090583193410 0.00000000000000 15.999 > 21 *43 Zn 0.54042724852146 0.25030961926303 0.50000000000000 65.380 > 22 44 Zn 0.75030961926303 0.95957275147854 0.00000000000000 65.380 > 23 45 Zn 0.24969038073697 0.04042724852146 0.00000000000000 65.380 > 24 46 Zn 0.45957275147854 0.74969038073697 0.50000000000000 65.380 > 25 47 Zn 0.04042724852146 0.75030961926303 0.00000000000000 65.380 > 22 48 Zn 0.25030961926303 0.45957275147854 0.50000000000000 65.380 > 23 49 Zn 0.74969038073697 0.54042724852146 0.50000000000000 65.380 > 24 50 Zn 0.95957275147854 0.24969038073697 0.00000000000000 65.380 > 25 *51 Ba 0.53632694022634 0.85993619399919 0.00000000000000 137.327 > 26 52 Ba 0.35993619399919 0.96367305977366 0.50000000000000 137.327 > 27 53 Ba 0.64006380600081 0.03632694022634 0.50000000000000 137.327 > 28 54 Ba 0.46367305977366 0.14006380600081 0.00000000000000 137.327 > 29 *55 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 30 56 Ba 0.03632694022634 0.35993619399919 0.50000000000000 137.327 > 26 57 Ba 0.85993619399919 0.46367305977366 0.00000000000000 137.327 > 27 58 Ba 0.14006380600081 0.53632694022634 0.00000000000000 137.327 > 28 59 Ba 0.96367305977366 0.64006380600081 0.50000000000000 137.327 > 29 60 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 30 *61 Er 0.41200664015169 0.64246941676887 0.00000000000000 167.259 > 31 62 Er 0.14246941676887 0.08799335984831 0.50000000000000 167.259 > 32 63 Er 0.85753058323113 0.91200664015169 0.50000000000000 167.259 > 33 64 Er 0.58799335984831 0.35753058323113 0.00000000000000 167.259 > 34 *65 Er 0.24727857565045 0.83199334370182 0.00000000000000 167.259 > 35 66 Er 0.33199334370182 0.25272142434955 0.50000000000000 167.259 > 36 67 Er 0.66800665629818 0.74727857565045 0.50000000000000 167.259 > 37 68 Er 0.75272142434955 0.16800665629818 0.00000000000000 167.259 > 38 69 Er 0.91200664015169 0.14246941676887 0.50000000000000 167.259 > 31 70 Er 0.64246941676887 0.58799335984831 0.00000000000000 167.259 > 32 71 Er 0.35753058323113 0.41200664015169 0.00000000000000 167.259 > 33 72 Er 0.08799335984831 0.85753058323113 0.50000000000000 167.259 > 34 73 Er 0.74727857565045 0.33199334370182 0.50000000000000 167.259 > 35 74 Er 0.83199334370182 0.75272142434955 0.00000000000000 167.259 > 36 75 Er 0.16800665629818 0.24727857565045 0.00000000000000 167.259 > 37 76 Er 0.25272142434955 0.66800665629818 0.50000000000000 167.259 > 38 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.595159790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.595159790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.643080650000000 Atomic positions (fractional): *1 O 0.64838751457871 0.24238570003673 0.25134386788008 15.999 > 1 2 O 0.74238570003673 0.85161248542129 0.75134386788008 15.999 > 2 3 O 0.25761429996327 0.14838751457871 0.75134386788008 15.999 > 3 4 O 0.35161248542129 0.75761429996327 0.25134386788008 15.999 > 4 5 O 0.35161248542129 0.75761429996327 0.74865613211992 15.999 > 5 6 O 0.25761429996327 0.14838751457871 0.24865613211992 15.999 > 6 7 O 0.74238570003673 0.85161248542129 0.24865613211992 15.999 > 7 8 O 0.64838751457871 0.24238570003673 0.74865613211992 15.999 > 8 *9 O 0.82288637223810 0.04858291182716 0.25072203121528 15.999 > 9 10 O 0.54858291182716 0.67711362776190 0.75072203121528 15.999 > 10 11 O 0.45141708817284 0.32288637223810 0.75072203121528 15.999 > 11 12 O 0.17711362776190 0.95141708817284 0.25072203121528 15.999 > 12 13 O 0.17711362776190 0.95141708817284 0.74927796878472 15.999 > 13 14 O 0.45141708817284 0.32288637223810 0.24927796878472 15.999 > 14 15 O 0.54858291182716 0.67711362776190 0.24927796878472 15.999 > 15 16 O 0.82288637223810 0.04858291182716 0.74927796878472 15.999 > 16 *17 O 0.62909416806590 0.03918895033820 0.00000000000000 15.999 > 17 *18 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 18 19 O 0.37090583193410 0.96081104966179 0.00000000000000 15.999 > 19 20 O 0.46081104966179 0.12909416806590 0.50000000000000 15.999 > 20 21 O 0.53918895033821 0.87090583193410 0.50000000000000 15.999 > 21 22 O 0.14838751457871 0.74238570003673 0.75134386788008 15.999 > 1 23 O 0.24238570003673 0.35161248542129 0.25134386788008 15.999 > 2 24 O 0.75761429996327 0.64838751457871 0.25134386788008 15.999 > 3 25 O 0.85161248542129 0.25761429996327 0.75134386788008 15.999 > 4 26 O 0.85161248542129 0.25761429996327 0.24865613211992 15.999 > 5 27 O 0.75761429996327 0.64838751457871 0.74865613211992 15.999 > 6 28 O 0.24238570003673 0.35161248542129 0.74865613211992 15.999 > 7 29 O 0.14838751457871 0.74238570003673 0.24865613211992 15.999 > 8 30 O 0.32288637223810 0.54858291182716 0.75072203121528 15.999 > 9 31 O 0.04858291182716 0.17711362776190 0.25072203121528 15.999 > 10 32 O 0.95141708817284 0.82288637223810 0.25072203121528 15.999 > 11 33 O 0.67711362776190 0.45141708817284 0.75072203121528 15.999 > 12 34 O 0.67711362776190 0.45141708817284 0.24927796878472 15.999 > 13 35 O 0.95141708817284 0.82288637223810 0.74927796878472 15.999 > 14 36 O 0.04858291182716 0.17711362776190 0.74927796878472 15.999 > 15 37 O 0.32288637223810 0.54858291182716 0.24927796878472 15.999 > 16 38 O 0.12909416806590 0.53918895033821 0.50000000000000 15.999 > 17 39 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 18 40 O 0.87090583193410 0.46081104966179 0.50000000000000 15.999 > 19 41 O 0.96081104966179 0.62909416806590 0.00000000000000 15.999 > 20 42 O 0.03918895033820 0.37090583193410 0.00000000000000 15.999 > 21 *43 Zn 0.54042724852146 0.25030961926303 0.50000000000000 65.380 > 22 44 Zn 0.75030961926303 0.95957275147854 0.00000000000000 65.380 > 23 45 Zn 0.24969038073697 0.04042724852146 0.00000000000000 65.380 > 24 46 Zn 0.45957275147854 0.74969038073697 0.50000000000000 65.380 > 25 47 Zn 0.04042724852146 0.75030961926303 0.00000000000000 65.380 > 22 48 Zn 0.25030961926303 0.45957275147854 0.50000000000000 65.380 > 23 49 Zn 0.74969038073697 0.54042724852146 0.50000000000000 65.380 > 24 50 Zn 0.95957275147854 0.24969038073697 0.00000000000000 65.380 > 25 *51 Ba 0.53632694022634 0.85993619399919 0.00000000000000 137.327 > 26 52 Ba 0.35993619399919 0.96367305977366 0.50000000000000 137.327 > 27 53 Ba 0.64006380600081 0.03632694022634 0.50000000000000 137.327 > 28 54 Ba 0.46367305977366 0.14006380600081 0.00000000000000 137.327 > 29 *55 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 30 56 Ba 0.03632694022634 0.35993619399919 0.50000000000000 137.327 > 26 57 Ba 0.85993619399919 0.46367305977366 0.00000000000000 137.327 > 27 58 Ba 0.14006380600081 0.53632694022634 0.00000000000000 137.327 > 28 59 Ba 0.96367305977366 0.64006380600081 0.50000000000000 137.327 > 29 60 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 30 *61 Er 0.41200664015169 0.64246941676887 0.00000000000000 167.259 > 31 62 Er 0.14246941676887 0.08799335984831 0.50000000000000 167.259 > 32 63 Er 0.85753058323113 0.91200664015169 0.50000000000000 167.259 > 33 64 Er 0.58799335984831 0.35753058323113 0.00000000000000 167.259 > 34 *65 Er 0.24727857565045 0.83199334370182 0.00000000000000 167.259 > 35 66 Er 0.33199334370182 0.25272142434955 0.50000000000000 167.259 > 36 67 Er 0.66800665629818 0.74727857565045 0.50000000000000 167.259 > 37 68 Er 0.75272142434955 0.16800665629818 0.00000000000000 167.259 > 38 69 Er 0.91200664015169 0.14246941676887 0.50000000000000 167.259 > 31 70 Er 0.64246941676887 0.58799335984831 0.00000000000000 167.259 > 32 71 Er 0.35753058323113 0.41200664015169 0.00000000000000 167.259 > 33 72 Er 0.08799335984831 0.85753058323113 0.50000000000000 167.259 > 34 73 Er 0.74727857565045 0.33199334370182 0.50000000000000 167.259 > 35 74 Er 0.83199334370182 0.75272142434955 0.00000000000000 167.259 > 36 75 Er 0.16800665629818 0.24727857565045 0.00000000000000 167.259 > 37 76 Er 0.25272142434955 0.66800665629818 0.50000000000000 167.259 > 38 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5629863 -0.0000302 0.0000000 0.0000302 4.5629863 0.0000000 0.0000000 0.0000000 4.8757094 -------------------------- Born effective charges -------------------------- 1 O -2.4384005 0.2069323 0.0886460 0.2548165 -2.2403457 -0.1017868 0.1561301 -0.1595107 -2.6143647 2 O -2.2403457 -0.2548165 -0.1017868 -0.2069323 -2.4384005 -0.0886460 -0.1595107 -0.1561301 -2.6143647 3 O -2.2403457 -0.2548165 0.1017868 -0.2069323 -2.4384005 0.0886460 0.1595107 0.1561301 -2.6143647 4 O -2.4384005 0.2069323 -0.0886460 0.2548165 -2.2403457 0.1017868 -0.1561301 0.1595107 -2.6143647 5 O -2.4384005 0.2069323 0.0886460 0.2548165 -2.2403457 -0.1017868 0.1561301 -0.1595107 -2.6143647 6 O -2.2403457 -0.2548165 -0.1017868 -0.2069323 -2.4384005 -0.0886460 -0.1595107 -0.1561301 -2.6143647 7 O -2.2403457 -0.2548165 0.1017868 -0.2069323 -2.4384005 0.0886460 0.1595107 0.1561301 -2.6143647 8 O -2.4384005 0.2069323 -0.0886460 0.2548165 -2.2403457 0.1017868 -0.1561301 0.1595107 -2.6143647 9 O -2.2921208 -0.0318131 -0.4902378 -0.0953409 -2.5482517 0.0901405 -0.5037599 0.1198611 -2.7472086 10 O -2.5482517 0.0953409 0.0901405 0.0318131 -2.2921208 0.4902378 0.1198611 0.5037599 -2.7472086 11 O -2.5482517 0.0953409 -0.0901405 0.0318131 -2.2921208 -0.4902378 -0.1198611 -0.5037599 -2.7472086 12 O -2.2921208 -0.0318131 0.4902378 -0.0953409 -2.5482517 -0.0901405 0.5037599 -0.1198611 -2.7472086 13 O -2.2921208 -0.0318131 -0.4902378 -0.0953409 -2.5482517 0.0901405 -0.5037599 0.1198611 -2.7472086 14 O -2.5482517 0.0953409 0.0901405 0.0318131 -2.2921208 0.4902378 0.1198611 0.5037599 -2.7472086 15 O -2.5482517 0.0953409 -0.0901405 0.0318131 -2.2921208 -0.4902378 -0.1198611 -0.5037599 -2.7472086 16 O -2.2921208 -0.0318131 0.4902378 -0.0953409 -2.5482517 -0.0901405 0.5037599 -0.1198611 -2.7472086 17 O -2.6739684 0.0237366 0.0000000 0.0191795 -2.5184400 0.0000000 0.0000000 0.0000000 -2.3366001 18 O -2.9425069 0.0231322 0.0000000 -0.0231322 -2.9425069 0.0000000 0.0000000 0.0000000 -2.1447378 19 O -2.6739684 0.0237366 0.0000000 0.0191795 -2.5184400 0.0000000 0.0000000 0.0000000 -2.3366001 20 O -2.5184400 -0.0191795 0.0000000 -0.0237366 -2.6739684 0.0000000 0.0000000 0.0000000 -2.3366001 21 O -2.5184400 -0.0191795 0.0000000 -0.0237366 -2.6739684 0.0000000 0.0000000 0.0000000 -2.3366001 22 Zn 2.1956547 -0.1395831 0.0000000 -0.1267810 1.6430216 0.0000000 0.0000000 0.0000000 2.4077104 23 Zn 1.6430216 0.1267810 0.0000000 0.1395831 2.1956547 0.0000000 0.0000000 0.0000000 2.4077104 24 Zn 1.6430216 0.1267810 0.0000000 0.1395831 2.1956547 0.0000000 0.0000000 0.0000000 2.4077104 25 Zn 2.1956547 -0.1395831 0.0000000 -0.1267810 1.6430216 0.0000000 0.0000000 0.0000000 2.4077104 26 Ba 2.8303347 0.0482473 0.0000000 -0.0353400 2.7735006 0.0000000 0.0000000 0.0000000 2.7289944 27 Ba 2.7735006 0.0353400 0.0000000 -0.0482473 2.8303347 0.0000000 0.0000000 0.0000000 2.7289944 28 Ba 2.7735006 0.0353400 0.0000000 -0.0482473 2.8303347 0.0000000 0.0000000 0.0000000 2.7289944 29 Ba 2.8303347 0.0482473 0.0000000 -0.0353400 2.7735006 0.0000000 0.0000000 0.0000000 2.7289944 30 Ba 2.7215459 0.0190180 0.0000000 -0.0190180 2.7215459 0.0000000 0.0000000 0.0000000 3.1320309 31 Er 3.5204405 0.0176881 0.0000000 0.1112211 3.8709759 0.0000000 0.0000000 0.0000000 3.8427827 32 Er 3.8709759 -0.1112211 0.0000000 -0.0176881 3.5204405 0.0000000 0.0000000 0.0000000 3.8427827 33 Er 3.8709759 -0.1112211 0.0000000 -0.0176881 3.5204405 0.0000000 0.0000000 0.0000000 3.8427827 34 Er 3.5204405 0.0176881 0.0000000 0.1112211 3.8709759 0.0000000 0.0000000 0.0000000 3.8427827 35 Er 3.7152878 -0.2119622 0.0000000 -0.1777902 3.7919105 0.0000000 0.0000000 0.0000000 3.8334359 36 Er 3.7919105 0.1777902 0.0000000 0.2119622 3.7152878 0.0000000 0.0000000 0.0000000 3.8334359 37 Er 3.7919105 0.1777902 0.0000000 0.2119622 3.7152878 0.0000000 0.0000000 0.0000000 3.8334359 38 Er 3.7152878 -0.2119622 0.0000000 -0.1777902 3.7919105 0.0000000 0.0000000 0.0000000 3.8334359 ---------------------------------------------------------------------------- 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: 228/228 Permutation basis: 15396/15396 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1748 Number of blocks in projector: 1748 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 234 eigenvectors found. (2) Block: 522 / 522 (2) 258 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 482 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1748, 1700), data: False |-- (264, 255), data: True |-- (480, 472), data: True |-- (482, 467), data: True |-- (522, 506), data: False |-- (522, 506), data: False |-- (522, 14), data: (522, 30) @ (30, 14) |-- (272, 258), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 76 / 76 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 1.774 Solver_block: 200 / 640 - Time: 1.769 Solver_block: 300 / 640 - Time: 1.770 Solver_block: 400 / 640 - Time: 1.768 Solver_block: 500 / 640 - Time: 1.767 Solver_block: 600 / 640 - Time: 1.770 Solver_block: 640 / 640 - Time: 0.772 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.431 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 228/228 Permutation basis: 15396/15396 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1748 Number of blocks in projector: 1748 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 234 eigenvectors found. (2) Block: 522 / 522 (2) 258 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 506 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 482 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1748, 1700), data: False |-- (264, 255), data: True |-- (480, 472), data: True |-- (482, 467), data: True |-- (522, 506), data: False |-- (522, 506), data: False |-- (522, 14), data: (522, 30) @ (30, 14) |-- (272, 258), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:37:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:37:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -6.797579895000000 6.797579895000000 2.821540325000000 b 6.797579895000000 -6.797579895000000 2.821540325000000 c 6.797579895000000 6.797579895000000 -2.821540325000000 Atomic positions (fractional): 1 O 0.49372956791681 0.89973138245878 0.89077321461544 15.999 2 O 0.60295635330137 0.49372956791681 0.59399818545803 15.999 3 O 0.89973138245878 0.00895816784335 0.40600181454197 15.999 4 O 0.00895816784335 0.60295635330137 0.10922678538456 15.999 5 O 0.50627043208319 0.10026861754122 0.10922678538456 15.999 6 O 0.39704364669863 0.50627043208319 0.40600181454197 15.999 7 O 0.10026861754122 0.99104183215665 0.59399818545803 15.999 8 O 0.99104183215665 0.39704364669863 0.89077321461544 15.999 9 O 0.29930494304243 0.07360840345338 0.87146928406526 15.999 10 O 0.42783565897718 0.29930494304244 0.22569653958906 15.999 11 O 0.07360840345338 0.20213911938812 0.77430346041094 15.999 12 O 0.20213911938812 0.42783565897718 0.12853071593474 15.999 13 O 0.70069505695756 0.92639159654662 0.12853071593474 15.999 14 O 0.57216434102282 0.70069505695756 0.77430346041094 15.999 15 O 0.92639159654662 0.79786088061188 0.22569653958906 15.999 16 O 0.79786088061188 0.57216434102282 0.87146928406526 15.999 17 O 0.03918895033820 0.62909416806590 0.66828311840410 15.999 18 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 19 O 0.96081104966179 0.37090583193410 0.33171688159590 15.999 20 O 0.62909416806590 0.96081104966179 0.58990521772769 15.999 21 O 0.37090583193410 0.03918895033821 0.41009478227231 15.999 22 Zn 0.75030961926303 0.04042724852146 0.79073686778449 65.380 23 Zn 0.95957275147854 0.75030961926303 0.70988237074158 65.380 24 Zn 0.04042724852146 0.24969038073697 0.29011762925842 65.380 25 Zn 0.24969038073697 0.95957275147854 0.20926313221551 65.380 26 Ba 0.85993619399919 0.53632694022634 0.39626313422553 137.327 27 Ba 0.46367305977366 0.85993619399919 0.32360925377285 137.327 28 Ba 0.53632694022634 0.14006380600081 0.67639074622715 137.327 29 Ba 0.14006380600081 0.46367305977366 0.60373686577447 137.327 30 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 31 Er 0.64246941676887 0.41200664015169 0.05447605692056 167.259 32 Er 0.58799335984831 0.64246941676887 0.23046277661718 167.259 33 Er 0.41200664015169 0.35753058323113 0.76953722338282 167.259 34 Er 0.35753058323113 0.58799335984831 0.94552394307944 167.259 35 Er 0.83199334370182 0.24727857565045 0.07927191935226 167.259 36 Er 0.75272142434955 0.83199334370182 0.58471476805137 167.259 37 Er 0.24727857565045 0.16800665629818 0.41528523194863 167.259 38 Er 0.16800665629818 0.75272142434955 0.92072808064774 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.595159790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.595159790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.643080650000000 Atomic positions (fractional): 1 O 0.64838751457871 0.24238570003673 0.25134386788008 15.999 > 1 2 O 0.74238570003673 0.85161248542129 0.75134386788008 15.999 > 2 3 O 0.25761429996327 0.14838751457871 0.75134386788008 15.999 > 3 4 O 0.35161248542129 0.75761429996327 0.25134386788008 15.999 > 4 5 O 0.35161248542129 0.75761429996327 0.74865613211992 15.999 > 5 6 O 0.25761429996327 0.14838751457871 0.24865613211992 15.999 > 6 7 O 0.74238570003673 0.85161248542129 0.24865613211992 15.999 > 7 8 O 0.64838751457871 0.24238570003673 0.74865613211992 15.999 > 8 9 O 0.82288637223810 0.04858291182716 0.25072203121528 15.999 > 9 10 O 0.54858291182716 0.67711362776190 0.75072203121528 15.999 > 10 11 O 0.45141708817284 0.32288637223810 0.75072203121528 15.999 > 11 12 O 0.17711362776190 0.95141708817284 0.25072203121528 15.999 > 12 13 O 0.17711362776190 0.95141708817284 0.74927796878472 15.999 > 13 14 O 0.45141708817284 0.32288637223810 0.24927796878472 15.999 > 14 15 O 0.54858291182716 0.67711362776190 0.24927796878472 15.999 > 15 16 O 0.82288637223810 0.04858291182716 0.74927796878472 15.999 > 16 17 O 0.62909416806590 0.03918895033820 0.00000000000000 15.999 > 17 18 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 18 19 O 0.37090583193410 0.96081104966179 0.00000000000000 15.999 > 19 20 O 0.46081104966179 0.12909416806590 0.50000000000000 15.999 > 20 21 O 0.53918895033821 0.87090583193410 0.50000000000000 15.999 > 21 22 O 0.14838751457871 0.74238570003673 0.75134386788008 15.999 > 1 23 O 0.24238570003673 0.35161248542129 0.25134386788008 15.999 > 2 24 O 0.75761429996327 0.64838751457871 0.25134386788008 15.999 > 3 25 O 0.85161248542129 0.25761429996327 0.75134386788008 15.999 > 4 26 O 0.85161248542129 0.25761429996327 0.24865613211992 15.999 > 5 27 O 0.75761429996327 0.64838751457871 0.74865613211992 15.999 > 6 28 O 0.24238570003673 0.35161248542129 0.74865613211992 15.999 > 7 29 O 0.14838751457871 0.74238570003673 0.24865613211992 15.999 > 8 30 O 0.32288637223810 0.54858291182716 0.75072203121528 15.999 > 9 31 O 0.04858291182716 0.17711362776190 0.25072203121528 15.999 > 10 32 O 0.95141708817284 0.82288637223810 0.25072203121528 15.999 > 11 33 O 0.67711362776190 0.45141708817284 0.75072203121528 15.999 > 12 34 O 0.67711362776190 0.45141708817284 0.24927796878472 15.999 > 13 35 O 0.95141708817284 0.82288637223810 0.74927796878472 15.999 > 14 36 O 0.04858291182716 0.17711362776190 0.74927796878472 15.999 > 15 37 O 0.32288637223810 0.54858291182716 0.24927796878472 15.999 > 16 38 O 0.12909416806590 0.53918895033821 0.50000000000000 15.999 > 17 39 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 18 40 O 0.87090583193410 0.46081104966179 0.50000000000000 15.999 > 19 41 O 0.96081104966179 0.62909416806590 0.00000000000000 15.999 > 20 42 O 0.03918895033820 0.37090583193410 0.00000000000000 15.999 > 21 43 Zn 0.54042724852146 0.25030961926303 0.50000000000000 65.380 > 43 44 Zn 0.75030961926303 0.95957275147854 0.00000000000000 65.380 > 44 45 Zn 0.24969038073697 0.04042724852146 0.00000000000000 65.380 > 45 46 Zn 0.45957275147854 0.74969038073697 0.50000000000000 65.380 > 46 47 Zn 0.04042724852146 0.75030961926303 0.00000000000000 65.380 > 43 48 Zn 0.25030961926303 0.45957275147854 0.50000000000000 65.380 > 44 49 Zn 0.74969038073697 0.54042724852146 0.50000000000000 65.380 > 45 50 Zn 0.95957275147854 0.24969038073697 0.00000000000000 65.380 > 46 51 Ba 0.53632694022634 0.85993619399919 0.00000000000000 137.327 > 51 52 Ba 0.35993619399919 0.96367305977366 0.50000000000000 137.327 > 52 53 Ba 0.64006380600081 0.03632694022634 0.50000000000000 137.327 > 53 54 Ba 0.46367305977366 0.14006380600081 0.00000000000000 137.327 > 54 55 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 55 56 Ba 0.03632694022634 0.35993619399919 0.50000000000000 137.327 > 51 57 Ba 0.85993619399919 0.46367305977366 0.00000000000000 137.327 > 52 58 Ba 0.14006380600081 0.53632694022634 0.00000000000000 137.327 > 53 59 Ba 0.96367305977366 0.64006380600081 0.50000000000000 137.327 > 54 60 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 55 61 Er 0.41200664015169 0.64246941676887 0.00000000000000 167.259 > 61 62 Er 0.14246941676887 0.08799335984831 0.50000000000000 167.259 > 62 63 Er 0.85753058323113 0.91200664015169 0.50000000000000 167.259 > 63 64 Er 0.58799335984831 0.35753058323113 0.00000000000000 167.259 > 64 65 Er 0.24727857565045 0.83199334370182 0.00000000000000 167.259 > 65 66 Er 0.33199334370182 0.25272142434955 0.50000000000000 167.259 > 66 67 Er 0.66800665629818 0.74727857565045 0.50000000000000 167.259 > 67 68 Er 0.75272142434955 0.16800665629818 0.00000000000000 167.259 > 68 69 Er 0.91200664015169 0.14246941676887 0.50000000000000 167.259 > 61 70 Er 0.64246941676887 0.58799335984831 0.00000000000000 167.259 > 62 71 Er 0.35753058323113 0.41200664015169 0.00000000000000 167.259 > 63 72 Er 0.08799335984831 0.85753058323113 0.50000000000000 167.259 > 64 73 Er 0.74727857565045 0.33199334370182 0.50000000000000 167.259 > 65 74 Er 0.83199334370182 0.75272142434955 0.00000000000000 167.259 > 66 75 Er 0.16800665629818 0.24727857565045 0.00000000000000 167.259 > 67 76 Er 0.25272142434955 0.66800665629818 0.50000000000000 167.259 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5629863 -0.0000302 0.0000000 0.0000302 4.5629863 0.0000000 0.0000000 0.0000000 4.8757094 -------------------------- Born effective charges -------------------------- 1 O -2.4384005 0.2069323 0.0886460 0.2548165 -2.2403457 -0.1017868 0.1561301 -0.1595107 -2.6143647 2 O -2.2403457 -0.2548165 -0.1017868 -0.2069323 -2.4384005 -0.0886460 -0.1595107 -0.1561301 -2.6143647 3 O -2.2403457 -0.2548165 0.1017868 -0.2069323 -2.4384005 0.0886460 0.1595107 0.1561301 -2.6143647 4 O -2.4384005 0.2069323 -0.0886460 0.2548165 -2.2403457 0.1017868 -0.1561301 0.1595107 -2.6143647 5 O -2.4384005 0.2069323 0.0886460 0.2548165 -2.2403457 -0.1017868 0.1561301 -0.1595107 -2.6143647 6 O -2.2403457 -0.2548165 -0.1017868 -0.2069323 -2.4384005 -0.0886460 -0.1595107 -0.1561301 -2.6143647 7 O -2.2403457 -0.2548165 0.1017868 -0.2069323 -2.4384005 0.0886460 0.1595107 0.1561301 -2.6143647 8 O -2.4384005 0.2069323 -0.0886460 0.2548165 -2.2403457 0.1017868 -0.1561301 0.1595107 -2.6143647 9 O -2.2921208 -0.0318131 -0.4902378 -0.0953409 -2.5482517 0.0901405 -0.5037599 0.1198611 -2.7472086 10 O -2.5482517 0.0953409 0.0901405 0.0318131 -2.2921208 0.4902378 0.1198611 0.5037599 -2.7472086 11 O -2.5482517 0.0953409 -0.0901405 0.0318131 -2.2921208 -0.4902378 -0.1198611 -0.5037599 -2.7472086 12 O -2.2921208 -0.0318131 0.4902378 -0.0953409 -2.5482517 -0.0901405 0.5037599 -0.1198611 -2.7472086 13 O -2.2921208 -0.0318131 -0.4902378 -0.0953409 -2.5482517 0.0901405 -0.5037599 0.1198611 -2.7472086 14 O -2.5482517 0.0953409 0.0901405 0.0318131 -2.2921208 0.4902378 0.1198611 0.5037599 -2.7472086 15 O -2.5482517 0.0953409 -0.0901405 0.0318131 -2.2921208 -0.4902378 -0.1198611 -0.5037599 -2.7472086 16 O -2.2921208 -0.0318131 0.4902378 -0.0953409 -2.5482517 -0.0901405 0.5037599 -0.1198611 -2.7472086 17 O -2.6739684 0.0237366 0.0000000 0.0191795 -2.5184400 0.0000000 0.0000000 0.0000000 -2.3366001 18 O -2.9425069 0.0231322 0.0000000 -0.0231322 -2.9425069 0.0000000 0.0000000 0.0000000 -2.1447378 19 O -2.6739684 0.0237366 0.0000000 0.0191795 -2.5184400 0.0000000 0.0000000 0.0000000 -2.3366001 20 O -2.5184400 -0.0191795 0.0000000 -0.0237366 -2.6739684 0.0000000 0.0000000 0.0000000 -2.3366001 21 O -2.5184400 -0.0191795 0.0000000 -0.0237366 -2.6739684 0.0000000 0.0000000 0.0000000 -2.3366001 22 Zn 2.1956547 -0.1395831 0.0000000 -0.1267810 1.6430216 0.0000000 0.0000000 0.0000000 2.4077104 23 Zn 1.6430216 0.1267810 0.0000000 0.1395831 2.1956547 0.0000000 0.0000000 0.0000000 2.4077104 24 Zn 1.6430216 0.1267810 0.0000000 0.1395831 2.1956547 0.0000000 0.0000000 0.0000000 2.4077104 25 Zn 2.1956547 -0.1395831 0.0000000 -0.1267810 1.6430216 0.0000000 0.0000000 0.0000000 2.4077104 26 Ba 2.8303347 0.0482473 0.0000000 -0.0353400 2.7735006 0.0000000 0.0000000 0.0000000 2.7289944 27 Ba 2.7735006 0.0353400 0.0000000 -0.0482473 2.8303347 0.0000000 0.0000000 0.0000000 2.7289944 28 Ba 2.7735006 0.0353400 0.0000000 -0.0482473 2.8303347 0.0000000 0.0000000 0.0000000 2.7289944 29 Ba 2.8303347 0.0482473 0.0000000 -0.0353400 2.7735006 0.0000000 0.0000000 0.0000000 2.7289944 30 Ba 2.7215459 0.0190180 0.0000000 -0.0190180 2.7215459 0.0000000 0.0000000 0.0000000 3.1320309 31 Er 3.5204405 0.0176881 0.0000000 0.1112211 3.8709759 0.0000000 0.0000000 0.0000000 3.8427827 32 Er 3.8709759 -0.1112211 0.0000000 -0.0176881 3.5204405 0.0000000 0.0000000 0.0000000 3.8427827 33 Er 3.8709759 -0.1112211 0.0000000 -0.0176881 3.5204405 0.0000000 0.0000000 0.0000000 3.8427827 34 Er 3.5204405 0.0176881 0.0000000 0.1112211 3.8709759 0.0000000 0.0000000 0.0000000 3.8427827 35 Er 3.7152878 -0.2119622 0.0000000 -0.1777902 3.7919105 0.0000000 0.0000000 0.0000000 3.8334359 36 Er 3.7919105 0.1777902 0.0000000 0.2119622 3.7152878 0.0000000 0.0000000 0.0000000 3.8334359 37 Er 3.7919105 0.1777902 0.0000000 0.2119622 3.7152878 0.0000000 0.0000000 0.0000000 3.8334359 38 Er 3.7152878 -0.2119622 0.0000000 -0.1777902 3.7919105 0.0000000 0.0000000 0.0000000 3.8334359 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 18, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (zxz) -0.00000003 (zxz) -0.00000003 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:37:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:37:38]------------------------- 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): [1 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -6.797579895000000 6.797579895000000 2.821540325000000 b 6.797579895000000 -6.797579895000000 2.821540325000000 c 6.797579895000000 6.797579895000000 -2.821540325000000 Atomic positions (fractional): 1 O 0.49372956791681 0.89973138245878 0.89077321461544 15.999 2 O 0.60295635330137 0.49372956791681 0.59399818545803 15.999 3 O 0.89973138245878 0.00895816784335 0.40600181454197 15.999 4 O 0.00895816784335 0.60295635330137 0.10922678538456 15.999 5 O 0.50627043208319 0.10026861754122 0.10922678538456 15.999 6 O 0.39704364669863 0.50627043208319 0.40600181454197 15.999 7 O 0.10026861754122 0.99104183215665 0.59399818545803 15.999 8 O 0.99104183215665 0.39704364669863 0.89077321461544 15.999 9 O 0.29930494304243 0.07360840345338 0.87146928406526 15.999 10 O 0.42783565897718 0.29930494304244 0.22569653958906 15.999 11 O 0.07360840345338 0.20213911938812 0.77430346041094 15.999 12 O 0.20213911938812 0.42783565897718 0.12853071593474 15.999 13 O 0.70069505695756 0.92639159654662 0.12853071593474 15.999 14 O 0.57216434102282 0.70069505695756 0.77430346041094 15.999 15 O 0.92639159654662 0.79786088061188 0.22569653958906 15.999 16 O 0.79786088061188 0.57216434102282 0.87146928406526 15.999 17 O 0.03918895033820 0.62909416806590 0.66828311840410 15.999 18 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 19 O 0.96081104966179 0.37090583193410 0.33171688159590 15.999 20 O 0.62909416806590 0.96081104966179 0.58990521772769 15.999 21 O 0.37090583193410 0.03918895033821 0.41009478227231 15.999 22 Zn 0.75030961926303 0.04042724852146 0.79073686778449 65.380 23 Zn 0.95957275147854 0.75030961926303 0.70988237074158 65.380 24 Zn 0.04042724852146 0.24969038073697 0.29011762925842 65.380 25 Zn 0.24969038073697 0.95957275147854 0.20926313221551 65.380 26 Ba 0.85993619399919 0.53632694022634 0.39626313422553 137.327 27 Ba 0.46367305977366 0.85993619399919 0.32360925377285 137.327 28 Ba 0.53632694022634 0.14006380600081 0.67639074622715 137.327 29 Ba 0.14006380600081 0.46367305977366 0.60373686577447 137.327 30 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 31 Er 0.64246941676887 0.41200664015169 0.05447605692056 167.259 32 Er 0.58799335984831 0.64246941676887 0.23046277661718 167.259 33 Er 0.41200664015169 0.35753058323113 0.76953722338282 167.259 34 Er 0.35753058323113 0.58799335984831 0.94552394307944 167.259 35 Er 0.83199334370182 0.24727857565045 0.07927191935226 167.259 36 Er 0.75272142434955 0.83199334370182 0.58471476805137 167.259 37 Er 0.24727857565045 0.16800665629818 0.41528523194863 167.259 38 Er 0.16800665629818 0.75272142434955 0.92072808064774 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.595159790000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.595159790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.643080650000000 Atomic positions (fractional): 1 O 0.64838751457871 0.24238570003673 0.25134386788008 15.999 > 1 2 O 0.74238570003673 0.85161248542129 0.75134386788008 15.999 > 2 3 O 0.25761429996327 0.14838751457871 0.75134386788008 15.999 > 3 4 O 0.35161248542129 0.75761429996327 0.25134386788008 15.999 > 4 5 O 0.35161248542129 0.75761429996327 0.74865613211992 15.999 > 5 6 O 0.25761429996327 0.14838751457871 0.24865613211992 15.999 > 6 7 O 0.74238570003673 0.85161248542129 0.24865613211992 15.999 > 7 8 O 0.64838751457871 0.24238570003673 0.74865613211992 15.999 > 8 9 O 0.82288637223810 0.04858291182716 0.25072203121528 15.999 > 9 10 O 0.54858291182716 0.67711362776190 0.75072203121528 15.999 > 10 11 O 0.45141708817284 0.32288637223810 0.75072203121528 15.999 > 11 12 O 0.17711362776190 0.95141708817284 0.25072203121528 15.999 > 12 13 O 0.17711362776190 0.95141708817284 0.74927796878472 15.999 > 13 14 O 0.45141708817284 0.32288637223810 0.24927796878472 15.999 > 14 15 O 0.54858291182716 0.67711362776190 0.24927796878472 15.999 > 15 16 O 0.82288637223810 0.04858291182716 0.74927796878472 15.999 > 16 17 O 0.62909416806590 0.03918895033820 0.00000000000000 15.999 > 17 18 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 18 19 O 0.37090583193410 0.96081104966179 0.00000000000000 15.999 > 19 20 O 0.46081104966179 0.12909416806590 0.50000000000000 15.999 > 20 21 O 0.53918895033821 0.87090583193410 0.50000000000000 15.999 > 21 22 O 0.14838751457871 0.74238570003673 0.75134386788008 15.999 > 1 23 O 0.24238570003673 0.35161248542129 0.25134386788008 15.999 > 2 24 O 0.75761429996327 0.64838751457871 0.25134386788008 15.999 > 3 25 O 0.85161248542129 0.25761429996327 0.75134386788008 15.999 > 4 26 O 0.85161248542129 0.25761429996327 0.24865613211992 15.999 > 5 27 O 0.75761429996327 0.64838751457871 0.74865613211992 15.999 > 6 28 O 0.24238570003673 0.35161248542129 0.74865613211992 15.999 > 7 29 O 0.14838751457871 0.74238570003673 0.24865613211992 15.999 > 8 30 O 0.32288637223810 0.54858291182716 0.75072203121528 15.999 > 9 31 O 0.04858291182716 0.17711362776190 0.25072203121528 15.999 > 10 32 O 0.95141708817284 0.82288637223810 0.25072203121528 15.999 > 11 33 O 0.67711362776190 0.45141708817284 0.75072203121528 15.999 > 12 34 O 0.67711362776190 0.45141708817284 0.24927796878472 15.999 > 13 35 O 0.95141708817284 0.82288637223810 0.74927796878472 15.999 > 14 36 O 0.04858291182716 0.17711362776190 0.74927796878472 15.999 > 15 37 O 0.32288637223810 0.54858291182716 0.24927796878472 15.999 > 16 38 O 0.12909416806590 0.53918895033821 0.50000000000000 15.999 > 17 39 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 18 40 O 0.87090583193410 0.46081104966179 0.50000000000000 15.999 > 19 41 O 0.96081104966179 0.62909416806590 0.00000000000000 15.999 > 20 42 O 0.03918895033820 0.37090583193410 0.00000000000000 15.999 > 21 43 Zn 0.54042724852146 0.25030961926303 0.50000000000000 65.380 > 43 44 Zn 0.75030961926303 0.95957275147854 0.00000000000000 65.380 > 44 45 Zn 0.24969038073697 0.04042724852146 0.00000000000000 65.380 > 45 46 Zn 0.45957275147854 0.74969038073697 0.50000000000000 65.380 > 46 47 Zn 0.04042724852146 0.75030961926303 0.00000000000000 65.380 > 43 48 Zn 0.25030961926303 0.45957275147854 0.50000000000000 65.380 > 44 49 Zn 0.74969038073697 0.54042724852146 0.50000000000000 65.380 > 45 50 Zn 0.95957275147854 0.24969038073697 0.00000000000000 65.380 > 46 51 Ba 0.53632694022634 0.85993619399919 0.00000000000000 137.327 > 51 52 Ba 0.35993619399919 0.96367305977366 0.50000000000000 137.327 > 52 53 Ba 0.64006380600081 0.03632694022634 0.50000000000000 137.327 > 53 54 Ba 0.46367305977366 0.14006380600081 0.00000000000000 137.327 > 54 55 Ba 0.00000000000000 0.00000000000000 0.00000000000000 137.327 > 55 56 Ba 0.03632694022634 0.35993619399919 0.50000000000000 137.327 > 51 57 Ba 0.85993619399919 0.46367305977366 0.00000000000000 137.327 > 52 58 Ba 0.14006380600081 0.53632694022634 0.00000000000000 137.327 > 53 59 Ba 0.96367305977366 0.64006380600081 0.50000000000000 137.327 > 54 60 Ba 0.50000000000000 0.50000000000000 0.50000000000000 137.327 > 55 61 Er 0.41200664015169 0.64246941676887 0.00000000000000 167.259 > 61 62 Er 0.14246941676887 0.08799335984831 0.50000000000000 167.259 > 62 63 Er 0.85753058323113 0.91200664015169 0.50000000000000 167.259 > 63 64 Er 0.58799335984831 0.35753058323113 0.00000000000000 167.259 > 64 65 Er 0.24727857565045 0.83199334370182 0.00000000000000 167.259 > 65 66 Er 0.33199334370182 0.25272142434955 0.50000000000000 167.259 > 66 67 Er 0.66800665629818 0.74727857565045 0.50000000000000 167.259 > 67 68 Er 0.75272142434955 0.16800665629818 0.00000000000000 167.259 > 68 69 Er 0.91200664015169 0.14246941676887 0.50000000000000 167.259 > 61 70 Er 0.64246941676887 0.58799335984831 0.00000000000000 167.259 > 62 71 Er 0.35753058323113 0.41200664015169 0.00000000000000 167.259 > 63 72 Er 0.08799335984831 0.85753058323113 0.50000000000000 167.259 > 64 73 Er 0.74727857565045 0.33199334370182 0.50000000000000 167.259 > 65 74 Er 0.83199334370182 0.75272142434955 0.00000000000000 167.259 > 66 75 Er 0.16800665629818 0.24727857565045 0.00000000000000 167.259 > 67 76 Er 0.25272142434955 0.66800665629818 0.50000000000000 167.259 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5629863 -0.0000302 0.0000000 0.0000302 4.5629863 0.0000000 0.0000000 0.0000000 4.8757094 -------------------------- Born effective charges -------------------------- 1 O -2.4384005 0.2069323 0.0886460 0.2548165 -2.2403457 -0.1017868 0.1561301 -0.1595107 -2.6143647 2 O -2.2403457 -0.2548165 -0.1017868 -0.2069323 -2.4384005 -0.0886460 -0.1595107 -0.1561301 -2.6143647 3 O -2.2403457 -0.2548165 0.1017868 -0.2069323 -2.4384005 0.0886460 0.1595107 0.1561301 -2.6143647 4 O -2.4384005 0.2069323 -0.0886460 0.2548165 -2.2403457 0.1017868 -0.1561301 0.1595107 -2.6143647 5 O -2.4384005 0.2069323 0.0886460 0.2548165 -2.2403457 -0.1017868 0.1561301 -0.1595107 -2.6143647 6 O -2.2403457 -0.2548165 -0.1017868 -0.2069323 -2.4384005 -0.0886460 -0.1595107 -0.1561301 -2.6143647 7 O -2.2403457 -0.2548165 0.1017868 -0.2069323 -2.4384005 0.0886460 0.1595107 0.1561301 -2.6143647 8 O -2.4384005 0.2069323 -0.0886460 0.2548165 -2.2403457 0.1017868 -0.1561301 0.1595107 -2.6143647 9 O -2.2921208 -0.0318131 -0.4902378 -0.0953409 -2.5482517 0.0901405 -0.5037599 0.1198611 -2.7472086 10 O -2.5482517 0.0953409 0.0901405 0.0318131 -2.2921208 0.4902378 0.1198611 0.5037599 -2.7472086 11 O -2.5482517 0.0953409 -0.0901405 0.0318131 -2.2921208 -0.4902378 -0.1198611 -0.5037599 -2.7472086 12 O -2.2921208 -0.0318131 0.4902378 -0.0953409 -2.5482517 -0.0901405 0.5037599 -0.1198611 -2.7472086 13 O -2.2921208 -0.0318131 -0.4902378 -0.0953409 -2.5482517 0.0901405 -0.5037599 0.1198611 -2.7472086 14 O -2.5482517 0.0953409 0.0901405 0.0318131 -2.2921208 0.4902378 0.1198611 0.5037599 -2.7472086 15 O -2.5482517 0.0953409 -0.0901405 0.0318131 -2.2921208 -0.4902378 -0.1198611 -0.5037599 -2.7472086 16 O -2.2921208 -0.0318131 0.4902378 -0.0953409 -2.5482517 -0.0901405 0.5037599 -0.1198611 -2.7472086 17 O -2.6739684 0.0237366 0.0000000 0.0191795 -2.5184400 0.0000000 0.0000000 0.0000000 -2.3366001 18 O -2.9425069 0.0231322 0.0000000 -0.0231322 -2.9425069 0.0000000 0.0000000 0.0000000 -2.1447378 19 O -2.6739684 0.0237366 0.0000000 0.0191795 -2.5184400 0.0000000 0.0000000 0.0000000 -2.3366001 20 O -2.5184400 -0.0191795 0.0000000 -0.0237366 -2.6739684 0.0000000 0.0000000 0.0000000 -2.3366001 21 O -2.5184400 -0.0191795 0.0000000 -0.0237366 -2.6739684 0.0000000 0.0000000 0.0000000 -2.3366001 22 Zn 2.1956547 -0.1395831 0.0000000 -0.1267810 1.6430216 0.0000000 0.0000000 0.0000000 2.4077104 23 Zn 1.6430216 0.1267810 0.0000000 0.1395831 2.1956547 0.0000000 0.0000000 0.0000000 2.4077104 24 Zn 1.6430216 0.1267810 0.0000000 0.1395831 2.1956547 0.0000000 0.0000000 0.0000000 2.4077104 25 Zn 2.1956547 -0.1395831 0.0000000 -0.1267810 1.6430216 0.0000000 0.0000000 0.0000000 2.4077104 26 Ba 2.8303347 0.0482473 0.0000000 -0.0353400 2.7735006 0.0000000 0.0000000 0.0000000 2.7289944 27 Ba 2.7735006 0.0353400 0.0000000 -0.0482473 2.8303347 0.0000000 0.0000000 0.0000000 2.7289944 28 Ba 2.7735006 0.0353400 0.0000000 -0.0482473 2.8303347 0.0000000 0.0000000 0.0000000 2.7289944 29 Ba 2.8303347 0.0482473 0.0000000 -0.0353400 2.7735006 0.0000000 0.0000000 0.0000000 2.7289944 30 Ba 2.7215459 0.0190180 0.0000000 -0.0190180 2.7215459 0.0000000 0.0000000 0.0000000 3.1320309 31 Er 3.5204405 0.0176881 0.0000000 0.1112211 3.8709759 0.0000000 0.0000000 0.0000000 3.8427827 32 Er 3.8709759 -0.1112211 0.0000000 -0.0176881 3.5204405 0.0000000 0.0000000 0.0000000 3.8427827 33 Er 3.8709759 -0.1112211 0.0000000 -0.0176881 3.5204405 0.0000000 0.0000000 0.0000000 3.8427827 34 Er 3.5204405 0.0176881 0.0000000 0.1112211 3.8709759 0.0000000 0.0000000 0.0000000 3.8427827 35 Er 3.7152878 -0.2119622 0.0000000 -0.1777902 3.7919105 0.0000000 0.0000000 0.0000000 3.8334359 36 Er 3.7919105 0.1777902 0.0000000 0.2119622 3.7152878 0.0000000 0.0000000 0.0000000 3.8334359 37 Er 3.7919105 0.1777902 0.0000000 0.2119622 3.7152878 0.0000000 0.0000000 0.0000000 3.8334359 38 Er 3.7152878 -0.2119622 0.0000000 -0.1777902 3.7919105 0.0000000 0.0000000 0.0000000 3.8334359 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zxz) -0.00000003 (zxz) -0.00000003 (zzx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 4 72 ] Grid generation matrix: [ 0 4 4 ] [ -4 0 -4 ] [ -9 -9 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 279, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.346 ( 0.000 0.000 0.000) 0.000 2.346 ( 0.000 0.000 0.000) 0.000 2.470 ( 0.000 0.000 0.000) 0.000 2.470 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.384 ( 0.000 0.000 0.000) 0.000 3.548 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.886 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.145 ( 0.000 0.000 0.000) 0.000 4.160 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.561 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.872 ( 0.000 0.000 0.000) 0.000 4.967 ( 0.000 0.000 0.000) 0.000 4.995 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.414 ( 0.000 0.000 0.000) 0.000 5.414 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 6.068 ( 0.000 0.000 0.000) 0.000 6.482 ( 0.000 0.000 0.000) 0.000 6.596 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.964 ( 0.000 0.000 0.000) 0.000 6.964 ( 0.000 0.000 0.000) 0.000 7.228 ( 0.000 0.000 0.000) 0.000 7.286 ( 0.000 0.000 0.000) 0.000 7.306 ( 0.000 0.000 0.000) 0.000 7.306 ( 0.000 0.000 0.000) 0.000 7.416 ( 0.000 0.000 0.000) 0.000 8.266 ( 0.000 0.000 0.000) 0.000 8.285 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 8.866 ( 0.000 0.000 0.000) 0.000 8.904 ( 0.000 0.000 0.000) 0.000 9.127 ( 0.000 0.000 0.000) 0.000 9.127 ( 0.000 0.000 0.000) 0.000 9.136 ( 0.000 0.000 0.000) 0.000 9.268 ( 0.000 0.000 0.000) 0.000 9.473 ( 0.000 0.000 0.000) 0.000 9.756 ( 0.000 0.000 0.000) 0.000 9.756 ( 0.000 0.000 0.000) 0.000 10.065 ( 0.000 0.000 0.000) 0.000 10.272 ( 0.000 0.000 0.000) 0.000 10.409 ( 0.000 0.000 0.000) 0.000 10.537 ( 0.000 0.000 0.000) 0.000 10.537 ( 0.000 0.000 0.000) 0.000 10.829 ( 0.000 0.000 0.000) 0.000 10.983 ( 0.000 0.000 0.000) 0.000 11.481 ( 0.000 0.000 0.000) 0.000 11.481 ( 0.000 0.000 0.000) 0.000 11.751 ( 0.000 0.000 0.000) 0.000 11.940 ( 0.000 0.000 0.000) 0.000 11.940 ( 0.000 0.000 0.000) 0.000 12.332 ( 0.000 0.000 0.000) 0.000 12.975 ( 0.000 0.000 0.000) 0.000 12.975 ( 0.000 0.000 0.000) 0.000 13.255 ( 0.000 0.000 0.000) 0.000 13.329 ( 0.000 0.000 0.000) 0.000 13.759 ( 0.000 0.000 0.000) 0.000 13.986 ( 0.000 0.000 0.000) 0.000 13.986 ( 0.000 0.000 0.000) 0.000 14.021 ( 0.000 0.000 0.000) 0.000 14.172 ( 0.000 0.000 0.000) 0.000 14.416 ( 0.000 0.000 0.000) 0.000 14.416 ( 0.000 0.000 0.000) 0.000 14.531 ( 0.000 0.000 0.000) 0.000 14.803 ( 0.000 0.000 0.000) 0.000 15.353 ( 0.000 0.000 0.000) 0.000 15.353 ( 0.000 0.000 0.000) 0.000 16.282 ( 0.000 0.000 0.000) 0.000 16.892 ( 0.000 0.000 0.000) 0.000 17.160 ( 0.000 0.000 0.000) 0.000 17.160 ( 0.000 0.000 0.000) 0.000 17.368 ( 0.000 0.000 0.000) 0.000 17.787 ( 0.000 0.000 0.000) 0.000 17.935 ( 0.000 0.000 0.000) 0.000 17.935 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 16.121 16.189 -0.000) 22.846 0.768 ( 23.945 16.292 0.000) 28.962 1.319 ( 31.980 37.333 -0.000) 49.158 1.750 ( -11.619 -11.049 -0.000) 16.033 2.048 ( -7.351 -5.466 -0.000) 9.161 2.310 ( 6.661 -3.418 0.000) 7.487 2.329 ( -1.475 -3.356 0.000) 3.665 2.402 ( -2.646 8.633 -0.000) 9.030 2.510 ( -1.700 -2.341 0.000) 2.893 2.607 ( -1.098 -3.498 0.000) 3.667 2.708 ( 4.949 4.070 0.000) 6.407 2.740 ( 3.735 4.014 -0.000) 5.483 2.826 ( -10.216 2.540 -0.000) 10.527 2.874 ( -5.298 -7.115 0.000) 8.871 2.890 ( 2.105 -2.131 0.000) 2.996 2.934 ( 2.913 1.834 0.000) 3.442 2.978 ( -8.041 -7.050 -0.000) 10.694 3.054 ( 3.990 -4.950 0.000) 6.357 3.202 ( 0.434 3.982 -0.000) 4.006 3.399 ( 5.276 4.785 0.000) 7.123 3.401 ( -8.013 -4.695 -0.000) 9.287 3.537 ( -4.433 -5.103 0.000) 6.760 3.552 ( 4.105 4.284 -0.000) 5.933 3.571 ( -0.713 -1.431 0.000) 1.599 3.715 ( 0.436 -3.127 0.000) 3.157 3.811 ( -3.493 -4.984 0.000) 6.086 3.879 ( -1.682 -1.434 -0.000) 2.210 3.984 ( -2.198 -3.615 0.000) 4.231 4.065 ( -1.546 -1.510 -0.000) 2.162 4.157 ( 0.610 -0.174 0.000) 0.635 4.241 ( -2.436 -0.007 -0.000) 2.436 4.244 ( -5.504 1.714 -0.000) 5.765 4.362 ( 4.265 2.816 0.000) 5.111 4.563 ( 0.845 4.635 -0.000) 4.711 4.637 ( 3.383 2.641 0.000) 4.292 4.668 ( 2.576 -1.260 0.000) 2.868 4.909 ( -4.503 -1.043 -0.000) 4.622 4.920 ( 2.299 3.010 -0.000) 3.788 4.936 ( 2.842 -6.224 0.000) 6.843 5.085 ( 2.129 2.462 -0.000) 3.255 5.218 ( 3.067 4.184 -0.000) 5.188 5.316 ( -2.453 -2.383 -0.000) 3.419 5.350 ( -3.444 -4.863 0.000) 5.959 5.387 ( -2.487 -0.643 -0.000) 2.569 5.510 ( -2.440 -2.124 -0.000) 3.235 5.573 ( -5.221 -4.077 -0.000) 6.625 5.614 ( 1.937 2.389 -0.000) 3.076 5.653 ( 0.533 2.858 -0.000) 2.907 5.730 ( -0.387 -5.788 0.000) 5.801 5.915 ( 0.596 6.088 -0.000) 6.117 6.100 ( 0.824 -0.772 0.000) 1.129 6.501 ( -3.341 -1.066 -0.000) 3.507 6.550 ( 3.743 3.333 0.000) 5.012 6.782 ( -0.393 -2.913 0.000) 2.940 6.859 ( 1.810 -1.922 0.000) 2.640 6.867 ( -0.571 -6.582 0.000) 6.606 6.935 ( -0.541 2.634 -0.000) 2.689 6.959 ( -3.266 1.748 -0.000) 3.705 7.178 ( -2.809 -1.784 -0.000) 3.327 7.307 ( -1.373 -5.926 0.000) 6.083 7.365 ( 0.057 4.560 -0.000) 4.560 7.600 ( 12.358 14.595 -0.000) 19.124 7.755 ( 5.628 3.150 0.000) 6.449 8.079 ( -6.873 -6.069 -0.000) 9.169 8.300 ( -2.788 -2.883 0.000) 4.011 8.330 ( 5.434 -1.991 0.000) 5.787 8.613 ( -5.618 -3.247 -0.000) 6.489 8.710 ( -6.581 3.805 -0.000) 7.602 8.844 ( 3.823 -3.432 0.000) 5.137 8.861 ( -0.541 0.377 -0.000) 0.659 8.959 ( -3.198 -4.259 0.000) 5.326 9.014 ( -8.104 -2.269 -0.000) 8.415 9.078 ( -1.808 -0.263 -0.000) 1.827 9.135 ( 1.473 -1.069 0.000) 1.820 9.277 ( -0.831 0.547 -0.000) 0.995 9.603 ( 2.688 11.413 -0.000) 11.725 9.902 ( 10.077 -2.358 0.000) 10.349 10.239 ( 0.728 -8.158 0.000) 8.191 10.259 ( 9.572 8.722 0.000) 12.950 10.482 ( 3.626 9.425 -0.000) 10.099 10.534 ( 0.463 -0.696 0.000) 0.836 10.631 ( 4.136 4.657 -0.000) 6.228 10.825 ( -2.080 -1.102 -0.000) 2.354 10.965 ( -0.423 -0.561 0.000) 0.702 11.398 ( -4.872 -1.975 -0.000) 5.257 11.460 ( -0.250 -2.826 0.000) 2.837 11.693 ( -11.332 -9.675 -0.000) 14.900 11.732 ( -0.524 -0.708 0.000) 0.881 11.977 ( 3.904 4.325 -0.000) 5.826 12.303 ( -0.132 -1.164 0.000) 1.171 12.735 ( -0.183 4.720 -0.000) 4.724 13.001 ( 8.263 -0.395 0.000) 8.273 13.281 ( 1.193 1.221 -0.000) 1.707 13.335 ( 0.147 0.144 0.000) 0.206 13.554 ( -9.346 -3.051 -0.000) 9.832 13.769 ( -2.791 3.021 -0.000) 4.113 13.833 ( 0.991 -8.136 0.000) 8.196 14.038 ( 0.411 1.719 -0.000) 1.768 14.280 ( -3.003 -2.030 -0.000) 3.625 14.405 ( -0.371 -0.571 0.000) 0.681 14.411 ( -0.288 -0.093 -0.000) 0.303 14.502 ( 3.258 5.286 -0.000) 6.209 14.822 ( 1.021 0.747 0.000) 1.265 15.148 ( 2.115 -9.605 0.000) 9.835 15.510 ( 2.409 13.009 -0.000) 13.230 16.013 ( -2.128 -2.116 -0.000) 3.001 16.354 ( 3.546 2.764 0.000) 4.496 16.900 ( 0.231 0.538 -0.000) 0.586 17.075 ( -4.760 -4.653 -0.000) 6.656 17.243 ( -1.266 -1.710 0.000) 2.127 17.587 ( 1.745 4.306 -0.000) 4.646 17.715 ( -0.909 -3.755 0.000) 3.863 17.966 ( 1.245 0.060 0.000) 1.246 17.987 ( 0.826 2.175 -0.000) 2.326 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -0.000 0.000 -0.000) 0.000 1.318 ( 0.000 0.000 -0.000) 0.000 1.349 ( 0.000 0.000 0.000) 0.000 1.724 ( 0.000 0.000 -0.000) 0.000 2.311 ( 0.000 0.000 -0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.450 ( 0.000 -0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.633 ( -0.000 -0.000 -0.000) 0.000 2.699 ( 0.000 0.000 0.000) 0.000 2.709 ( 0.000 0.000 -0.000) 0.000 2.727 ( -0.000 0.000 -0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 -0.000 0.000) 0.000 3.001 ( 0.000 0.000 -0.000) 0.000 3.007 ( -0.000 -0.000 0.000) 0.000 3.068 ( 0.000 0.000 -0.000) 0.000 3.246 ( 0.000 0.000 -0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.500 ( -0.000 0.000 -0.000) 0.000 3.518 ( 0.000 0.000 -0.000) 0.000 3.633 ( 0.000 -0.000 0.000) 0.000 3.672 ( 0.000 0.000 -0.000) 0.000 3.826 ( 0.000 0.000 -0.000) 0.000 3.835 ( 0.000 0.000 -0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.162 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 -0.000) 0.000 4.450 ( 0.000 0.000 -0.000) 0.000 4.615 ( 0.000 0.000 -0.000) 0.000 4.638 ( 0.000 0.000 -0.000) 0.000 4.701 ( 0.000 0.000 -0.000) 0.000 4.825 ( 0.000 0.000 -0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 -0.000 0.000) 0.000 5.207 ( -0.000 0.000 -0.000) 0.000 5.211 ( 0.000 0.000 -0.000) 0.000 5.223 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 -0.000 0.000) 0.000 5.376 ( 0.000 0.000 -0.000) 0.000 5.444 ( 0.000 -0.000 0.000) 0.000 5.452 ( 0.000 0.000 -0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 -0.000) 0.000 6.051 ( 0.000 -0.000 0.000) 0.000 6.480 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 -0.000) 0.000 6.757 ( -0.000 0.000 -0.000) 0.000 6.771 ( 0.000 0.000 0.000) 0.000 6.787 ( 0.000 -0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 7.037 ( 0.000 0.000 -0.000) 0.000 7.085 ( 0.000 0.000 -0.000) 0.000 7.230 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 -0.000) 0.000 7.853 ( 0.000 0.000 0.000) 0.000 7.924 ( 0.000 0.000 -0.000) 0.000 8.107 ( -0.000 -0.000 0.000) 0.000 8.158 ( 0.000 0.000 -0.000) 0.000 8.225 ( 0.000 0.000 -0.000) 0.000 8.544 ( 0.000 0.000 0.000) 0.000 8.628 ( -0.000 0.000 -0.000) 0.000 8.863 ( 0.000 0.000 -0.000) 0.000 8.870 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 8.893 ( 0.000 0.000 -0.000) 0.000 9.074 ( 0.000 0.000 -0.000) 0.000 9.141 ( 0.000 0.000 0.000) 0.000 9.265 ( -0.000 0.000 -0.000) 0.000 9.811 ( 0.000 0.000 -0.000) 0.000 9.979 ( 0.000 0.000 0.000) 0.000 10.083 ( 0.000 0.000 0.000) 0.000 10.524 ( 0.000 0.000 -0.000) 0.000 10.584 ( 0.000 0.000 0.000) 0.000 10.667 ( -0.000 0.000 -0.000) 0.000 10.708 ( 0.000 0.000 0.000) 0.000 10.756 ( 0.000 0.000 0.000) 0.000 10.949 ( -0.000 0.000 -0.000) 0.000 11.338 ( 0.000 0.000 0.000) 0.000 11.395 ( 0.000 0.000 0.000) 0.000 11.412 ( 0.000 0.000 0.000) 0.000 11.723 ( 0.000 0.000 0.000) 0.000 12.077 ( 0.000 0.000 0.000) 0.000 12.290 ( 0.000 0.000 -0.000) 0.000 12.727 ( 0.000 0.000 0.000) 0.000 13.223 ( 0.000 0.000 0.000) 0.000 13.322 ( 0.000 0.000 -0.000) 0.000 13.324 ( -0.000 -0.000 -0.000) 0.000 13.325 ( -0.000 -0.000 0.000) 0.000 13.749 ( 0.000 0.000 0.000) 0.000 13.786 ( 0.000 0.000 0.000) 0.000 14.098 ( -0.000 -0.000 0.000) 0.000 14.147 ( 0.000 0.000 -0.000) 0.000 14.394 ( 0.000 0.000 -0.000) 0.000 14.407 ( 0.000 0.000 0.000) 0.000 14.670 ( 0.000 0.000 0.000) 0.000 14.842 ( 0.000 0.000 0.000) 0.000 15.020 ( 0.000 0.000 0.000) 0.000 15.732 ( 0.000 0.000 0.000) 0.000 15.920 ( 0.000 0.000 0.000) 0.000 16.430 ( 0.000 0.000 -0.000) 0.000 16.920 ( 0.000 0.000 -0.000) 0.000 16.952 ( -0.000 -0.000 0.000) 0.000 17.225 ( 0.000 0.000 -0.000) 0.000 17.614 ( 0.000 0.000 0.000) 0.000 17.692 ( 0.000 0.000 0.000) 0.000 17.979 ( 0.000 0.000 -0.000) 0.000 18.017 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 5 (4/50) ======================= q-point: ( 0.24 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -2.383 11.700 20.483) 23.710 1.314 ( 2.040 34.175 15.581) 37.615 1.958 ( 0.050 3.610 37.697) 37.869 2.190 ( 0.829 -1.581 6.346) 6.593 2.317 ( -1.383 -0.372 7.674) 7.807 2.414 ( 0.774 -2.326 2.335) 3.385 2.459 ( -0.089 -0.491 2.040) 2.100 2.643 ( 0.472 -7.399 7.587) 10.608 2.691 ( -4.346 -3.180 12.909) 13.987 2.729 ( 2.981 0.013 9.633) 10.084 2.803 ( 0.328 -1.222 8.057) 8.156 2.828 ( 3.154 -5.180 6.014) 8.541 2.917 ( -1.680 2.668 7.301) 7.953 2.927 ( 1.504 -3.016 3.778) 5.063 2.983 ( 0.020 4.500 4.268) 6.202 3.051 ( -4.307 2.345 0.239) 4.909 3.154 ( -0.836 -5.195 10.449) 11.699 3.168 ( 2.083 4.414 -0.451) 4.902 3.328 ( 6.249 -1.032 3.564) 7.267 3.351 ( -6.856 -1.773 5.903) 9.219 3.365 ( -0.844 -1.693 -5.308) 5.635 3.457 ( 0.720 -1.243 -3.604) 3.879 3.471 ( 1.353 -4.797 -3.202) 5.924 3.556 ( 1.108 2.509 -0.965) 2.908 3.641 ( -0.051 5.027 1.611) 5.279 3.825 ( -1.985 -1.682 -2.381) 3.527 3.877 ( -0.242 1.438 -0.590) 1.573 3.973 ( -4.270 -6.377 -3.439) 8.410 4.020 ( 0.456 -2.791 -2.379) 3.695 4.186 ( 8.456 -2.720 -2.412) 9.204 4.220 ( -3.487 0.334 -2.228) 4.151 4.259 ( 2.409 -2.290 -1.567) 3.674 4.375 ( 0.409 -1.255 0.559) 1.433 4.413 ( -0.889 1.735 0.262) 1.967 4.606 ( -2.972 3.478 -1.986) 4.987 4.692 ( 1.115 5.017 -0.918) 5.221 4.831 ( 0.384 -1.766 -2.848) 3.373 4.934 ( 0.051 1.916 1.947) 2.732 4.985 ( -2.685 -2.139 -0.054) 3.433 5.019 ( 1.559 -0.361 -1.478) 2.178 5.203 ( 0.556 0.918 2.354) 2.587 5.239 ( 2.718 -2.491 -3.702) 5.225 5.255 ( -3.995 -1.267 -3.245) 5.300 5.318 ( 0.749 -2.302 -4.101) 4.763 5.551 ( 4.142 -0.869 -2.954) 5.161 5.581 ( -4.696 -0.703 -1.929) 5.126 5.671 ( 0.259 1.905 0.599) 2.014 5.743 ( -0.015 0.404 1.943) 1.985 5.817 ( 0.847 -0.371 5.081) 5.165 5.863 ( 0.028 2.860 2.043) 3.515 5.991 ( 0.078 0.911 -4.185) 4.284 6.486 ( -0.003 2.620 -1.000) 2.804 6.703 ( -2.647 -1.969 -4.830) 5.849 6.711 ( 2.671 -1.590 -3.363) 4.580 6.769 ( -0.400 -5.374 -1.616) 5.626 6.890 ( 0.527 -0.509 -0.597) 0.945 6.965 ( 0.959 1.219 1.331) 2.044 7.081 ( -0.771 -3.129 -2.695) 4.201 7.215 ( 0.534 -0.937 -1.677) 1.993 7.243 ( -4.865 -0.211 1.061) 4.983 7.318 ( 4.481 1.166 -5.483) 7.177 7.379 ( -1.096 3.444 -3.956) 5.358 7.590 ( 0.846 4.577 3.741) 5.972 8.097 ( 1.693 -8.813 -3.551) 9.651 8.181 ( -5.001 -3.431 -4.301) 7.435 8.452 ( -5.001 4.629 -0.020) 6.814 8.472 ( 8.608 -2.254 -4.893) 10.155 8.627 ( -4.529 -6.376 2.824) 8.314 8.734 ( 10.545 -2.458 0.452) 10.837 8.911 ( -7.161 -2.631 3.935) 8.584 9.050 ( 0.047 3.602 2.420) 4.340 9.081 ( -0.567 1.884 -3.836) 4.311 9.168 ( -0.254 2.879 2.487) 3.813 9.347 ( 2.533 -3.349 2.654) 4.967 9.486 ( -0.598 5.679 4.182) 7.078 9.769 ( 0.202 3.992 6.952) 8.019 9.830 ( 0.856 9.453 1.317) 9.583 9.909 ( -3.367 4.693 -1.589) 5.990 10.329 ( 0.173 -4.961 3.337) 5.981 10.586 ( 3.665 2.440 1.057) 4.527 10.693 ( -5.924 -4.154 4.766) 8.664 10.782 ( 3.737 3.355 5.611) 7.530 11.065 ( 0.619 4.285 8.233) 9.302 11.191 ( -0.343 -2.029 10.237) 10.441 11.377 ( 0.160 -9.053 -2.758) 9.465 11.522 ( -0.692 2.161 4.244) 4.813 11.632 ( 0.034 -3.292 2.720) 4.270 12.120 ( -1.370 -4.242 7.438) 8.672 12.201 ( 1.139 2.445 7.281) 7.765 12.373 ( 0.801 5.116 -2.944) 5.957 12.393 ( 0.101 10.554 -10.810) 15.108 12.907 ( -1.787 -4.158 -2.893) 5.372 13.015 ( -0.217 6.554 -1.678) 6.769 13.215 ( 0.226 -1.034 -0.457) 1.153 13.310 ( 1.824 1.076 -21.811) 21.914 13.821 ( 0.011 1.181 -3.850) 4.027 13.892 ( -0.625 -2.787 -1.491) 3.222 13.977 ( 0.569 2.936 1.020) 3.159 14.365 ( -1.885 -9.992 1.302) 10.251 14.429 ( 1.935 -3.527 3.199) 5.140 14.528 ( -1.279 -0.478 2.619) 2.954 14.652 ( -0.204 3.034 5.630) 6.398 14.738 ( 1.016 1.207 -2.671) 3.102 15.076 ( -2.098 -1.215 -8.250) 8.599 15.222 ( 1.998 11.195 -9.525) 14.834 15.718 ( -0.031 -1.903 -20.836) 20.923 15.918 ( 0.057 3.623 -11.964) 12.500 17.007 ( 0.055 -9.078 1.564) 9.212 17.079 ( -1.243 -4.140 -1.865) 4.708 17.357 ( 2.531 -3.155 -2.546) 4.779 17.480 ( -0.720 -7.922 10.498) 13.171 17.503 ( -0.572 2.329 -6.841) 7.249 17.799 ( -0.364 -1.238 -4.553) 4.732 17.875 ( 0.213 5.989 -4.015) 7.213 ======================= Grid point 6 (5/50) ======================= q-point: ( 0.24 -0.01 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 11.938 14.458 14.013) 23.408 2.033 ( -8.633 -5.335 9.440) 13.860 2.076 ( 3.264 9.719 24.950) 26.974 2.157 ( 6.455 19.068 16.471) 26.010 2.249 ( 0.878 -0.363 8.117) 8.172 2.357 ( -0.335 -1.813 11.040) 11.193 2.432 ( 3.262 0.456 1.789) 3.748 2.571 ( 2.013 -2.417 7.536) 8.166 2.583 ( -0.275 -1.500 8.236) 8.376 2.710 ( 4.379 -10.433 6.372) 12.986 2.795 ( -0.885 2.069 2.390) 3.283 2.824 ( 3.371 -2.445 12.327) 13.011 2.951 ( 5.770 -3.579 0.195) 6.792 2.962 ( 0.388 3.069 5.770) 6.547 3.010 ( -2.837 -4.680 8.661) 10.245 3.012 ( -4.829 6.020 2.074) 7.992 3.072 ( -2.781 2.281 5.495) 6.567 3.141 ( -6.027 -9.050 -0.180) 10.874 3.203 ( -5.458 -2.052 7.795) 9.735 3.258 ( -5.018 1.762 -1.857) 5.633 3.309 ( -11.829 -4.059 0.450) 12.514 3.417 ( 4.480 -4.044 -0.306) 6.043 3.464 ( 1.153 0.493 -3.588) 3.801 3.552 ( 2.292 1.889 -2.788) 4.074 3.669 ( -3.008 6.463 -1.726) 7.335 3.734 ( -5.216 0.340 -3.636) 6.368 3.889 ( 1.105 4.114 0.530) 4.293 3.914 ( 1.127 0.183 -1.998) 2.302 3.976 ( -0.472 -3.199 -1.973) 3.788 4.188 ( 0.479 -0.009 0.106) 0.491 4.207 ( 0.202 -0.973 0.093) 0.998 4.313 ( -0.865 -2.537 0.898) 2.827 4.417 ( 5.142 1.336 -0.559) 5.343 4.519 ( 5.667 0.602 -2.672) 6.294 4.628 ( 4.377 -1.420 0.440) 4.623 4.728 ( -4.027 -3.276 -4.489) 6.863 4.765 ( 0.676 -2.729 -1.236) 3.071 4.878 ( 0.559 -2.525 0.616) 2.659 5.005 ( 1.052 2.583 1.898) 3.374 5.027 ( 4.787 -1.843 -1.725) 5.412 5.180 ( -0.445 -0.991 -3.133) 3.316 5.220 ( -0.069 -1.057 -1.198) 1.599 5.252 ( 1.096 -1.638 -4.256) 4.690 5.292 ( -0.794 1.780 0.217) 1.961 5.434 ( -6.321 -2.157 -2.656) 7.188 5.626 ( 4.900 -2.123 -1.452) 5.534 5.686 ( 0.167 1.115 0.393) 1.194 5.772 ( -2.238 3.311 5.020) 6.417 5.827 ( 0.062 0.482 3.610) 3.643 5.906 ( -0.087 -0.179 1.820) 1.831 6.010 ( -0.488 1.179 -5.738) 5.878 6.532 ( -5.565 -0.220 -2.029) 5.928 6.615 ( 1.631 2.609 -1.713) 3.522 6.690 ( 1.743 -0.012 -1.275) 2.160 6.744 ( -0.253 -0.853 -2.554) 2.704 6.809 ( -2.588 -3.471 -0.511) 4.359 6.965 ( -1.246 -2.923 -1.553) 3.537 7.039 ( 0.593 3.831 0.160) 3.880 7.105 ( -1.401 -6.663 -2.773) 7.352 7.232 ( -1.005 2.546 1.188) 2.983 7.384 ( -1.781 0.432 0.128) 1.837 7.439 ( 1.615 3.466 -5.530) 6.723 7.860 ( 12.517 6.416 0.075) 14.066 7.993 ( 3.569 -4.974 -2.973) 6.805 8.140 ( -1.471 -1.679 0.331) 2.257 8.300 ( -0.802 -6.028 -7.211) 9.432 8.390 ( -2.017 -0.969 -3.538) 4.186 8.577 ( -1.998 -11.274 -1.314) 11.525 8.715 ( -10.251 6.484 2.828) 12.455 8.814 ( 2.286 -1.484 3.252) 4.243 9.054 ( -1.574 1.416 4.249) 4.747 9.187 ( 6.380 -0.239 3.079) 7.088 9.207 ( 3.368 -0.304 2.499) 4.205 9.387 ( 2.265 -0.828 3.345) 4.124 9.533 ( -3.240 2.804 3.314) 5.417 9.868 ( -1.197 5.609 6.129) 8.394 9.951 ( 1.797 -1.001 -1.003) 2.289 10.034 ( 6.621 6.280 4.860) 10.339 10.327 ( -0.720 2.085 -3.226) 3.908 10.519 ( -1.616 0.795 3.443) 3.886 10.774 ( 0.775 8.481 -2.272) 8.814 10.934 ( -1.402 -6.018 4.948) 7.916 10.946 ( -8.344 1.233 5.685) 10.172 11.107 ( 1.117 -4.036 6.462) 7.700 11.250 ( -2.455 0.691 -1.737) 3.086 11.510 ( 0.814 -3.940 8.257) 9.185 11.599 ( 1.942 -0.612 8.058) 8.311 12.017 ( 0.760 -4.183 10.779) 11.587 12.269 ( 1.172 2.339 4.755) 5.427 12.477 ( -3.101 4.520 1.854) 5.787 12.702 ( 5.585 10.628 -9.136) 15.087 12.792 ( 4.399 -6.546 -7.526) 10.902 13.083 ( 0.466 0.168 -5.790) 5.811 13.181 ( -3.187 0.199 -2.571) 4.099 13.348 ( -2.344 0.150 -9.141) 9.438 13.799 ( -1.323 1.355 -1.768) 2.591 13.905 ( -2.973 -8.542 5.281) 10.473 14.013 ( 7.035 6.729 -11.539) 15.097 14.208 ( -1.274 1.263 -1.121) 2.115 14.395 ( -7.788 -3.424 -0.562) 8.526 14.441 ( 3.687 -2.952 0.559) 4.756 14.671 ( 4.902 -1.846 3.661) 6.391 14.816 ( 1.610 -0.416 0.532) 1.746 15.064 ( 0.979 0.195 -2.187) 2.404 15.407 ( -5.646 9.657 -14.099) 17.997 15.688 ( -0.002 -0.585 -17.297) 17.307 16.052 ( 1.626 6.938 -9.560) 11.924 16.722 ( -6.847 -6.219 -1.000) 9.303 17.053 ( 3.907 -3.697 1.612) 5.615 17.211 ( 1.414 -10.086 8.217) 13.086 17.414 ( 0.086 -1.982 -7.827) 8.074 17.532 ( -3.843 5.719 -5.126) 8.588 17.807 ( 4.349 -3.195 -4.926) 7.307 17.963 ( -2.632 5.382 -2.718) 6.579 ======================= Grid point 7 (6/50) ======================= q-point: ( 0.24 -0.01 -0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -16.664 -10.746 13.371) 23.915 1.915 ( 3.179 1.450 8.827) 9.494 2.089 ( -3.915 -1.136 30.260) 30.533 2.142 ( -19.838 -4.609 10.022) 22.698 2.291 ( 1.124 5.276 17.921) 18.715 2.359 ( 0.106 -3.852 4.023) 5.571 2.473 ( -1.748 -2.768 2.224) 3.958 2.529 ( 1.164 0.044 4.004) 4.170 2.626 ( 7.635 -2.805 3.434) 8.829 2.685 ( 3.964 -2.164 8.525) 9.648 2.741 ( 3.560 -1.390 6.469) 7.514 2.780 ( 2.569 -3.469 12.938) 13.639 2.912 ( -1.480 -1.404 0.728) 2.166 2.985 ( 0.095 0.023 6.469) 6.469 3.041 ( -1.821 2.174 2.450) 3.748 3.066 ( 3.058 0.424 6.380) 7.087 3.121 ( 2.710 8.315 5.867) 10.531 3.132 ( -1.080 2.941 7.883) 8.483 3.187 ( 4.416 6.215 1.879) 7.852 3.240 ( -3.091 -0.700 1.307) 3.428 3.379 ( 5.654 16.165 -2.763) 17.347 3.417 ( 1.303 0.050 -3.558) 3.789 3.454 ( 0.220 -3.745 1.127) 3.918 3.533 ( -2.442 -2.948 -8.297) 9.137 3.702 ( -4.066 7.524 -1.229) 8.640 3.732 ( -1.411 4.188 -0.878) 4.506 3.842 ( -1.558 -2.815 -1.529) 3.562 3.940 ( 0.045 1.034 -2.208) 2.438 4.014 ( 0.697 1.624 0.187) 1.777 4.105 ( 0.786 -8.672 -0.693) 8.735 4.207 ( 1.659 -0.526 -1.186) 2.106 4.277 ( 1.903 -2.334 1.795) 3.506 4.432 ( -2.783 -3.796 0.009) 4.707 4.487 ( 0.554 -4.942 -1.826) 5.298 4.647 ( 3.983 0.816 -0.902) 4.164 4.749 ( 2.965 1.313 -1.409) 3.536 4.769 ( -1.746 -1.283 -2.539) 3.338 4.905 ( 3.510 1.039 -0.680) 3.723 4.994 ( -1.660 -1.811 1.077) 2.682 5.081 ( 4.109 -3.476 -2.294) 5.851 5.143 ( -0.079 -1.198 -0.942) 1.526 5.218 ( -0.355 -0.005 -2.787) 2.809 5.257 ( 1.477 -0.748 -3.206) 3.608 5.297 ( -1.037 1.323 0.243) 1.698 5.415 ( 1.761 5.431 -2.838) 6.376 5.653 ( 3.117 -3.510 -0.956) 4.791 5.684 ( -1.187 -0.179 -0.620) 1.351 5.772 ( -4.203 2.838 5.918) 7.794 5.821 ( -0.807 -1.152 0.385) 1.458 5.873 ( 0.582 -0.604 5.110) 5.178 6.015 ( -1.209 0.482 -6.257) 6.391 6.506 ( 0.380 4.229 -1.434) 4.482 6.630 ( -2.978 -1.143 -0.315) 3.205 6.699 ( 0.404 -1.287 -4.183) 4.395 6.750 ( 1.421 0.577 -2.415) 2.860 6.840 ( 2.934 4.781 -0.943) 5.688 6.944 ( 1.510 -3.708 -2.420) 4.678 6.987 ( 0.055 2.047 0.927) 2.247 7.154 ( 4.033 2.424 -1.065) 4.825 7.270 ( -2.090 4.069 0.361) 4.589 7.337 ( -1.305 -2.595 1.168) 3.131 7.443 ( -2.764 -0.754 -5.663) 6.346 7.847 ( -7.932 -11.563 3.521) 14.457 8.057 ( 3.053 -0.204 -2.331) 3.846 8.174 ( 10.262 -2.140 -9.881) 14.405 8.243 ( 2.037 -2.979 -8.494) 9.229 8.411 ( 2.265 6.196 2.948) 7.226 8.497 ( 5.264 3.242 2.496) 6.667 8.666 ( -4.866 1.261 0.814) 5.092 8.883 ( 3.285 3.569 3.350) 5.895 9.047 ( -0.992 1.249 -0.314) 1.626 9.173 ( 1.066 -5.543 7.865) 9.681 9.241 ( -1.547 -1.137 0.972) 2.152 9.359 ( 0.888 -5.530 0.656) 5.639 9.521 ( -2.206 2.644 5.968) 6.890 9.905 ( -2.800 -2.711 4.766) 6.157 9.943 ( -5.742 3.770 6.660) 9.568 10.197 ( -0.440 0.881 2.862) 3.027 10.235 ( -5.964 -4.721 -5.231) 9.231 10.537 ( 1.465 0.679 -1.567) 2.250 10.670 ( -2.774 -0.389 2.340) 3.650 10.845 ( -1.525 1.666 2.010) 3.023 11.018 ( 0.782 4.902 6.662) 8.308 11.146 ( 2.178 0.071 10.573) 10.796 11.252 ( 0.279 2.974 -7.582) 8.149 11.530 ( 2.402 1.456 6.872) 7.424 11.590 ( 2.566 -3.894 11.722) 12.616 12.031 ( 4.384 0.384 9.801) 10.743 12.268 ( -2.438 -2.176 5.067) 6.029 12.434 ( -3.977 1.338 1.643) 4.507 12.642 ( -5.829 -5.552 -7.692) 11.134 12.947 ( -1.990 -3.992 -8.851) 9.912 13.058 ( 6.123 4.151 -7.603) 10.608 13.227 ( -9.183 1.713 -1.127) 9.410 13.235 ( 4.556 -0.124 -9.260) 10.321 13.771 ( 2.375 -1.026 1.345) 2.916 13.910 ( 4.714 2.278 3.679) 6.399 14.058 ( -8.459 -4.190 -12.945) 16.022 14.240 ( -0.265 3.102 -1.937) 3.667 14.311 ( 5.604 1.531 -0.471) 5.829 14.504 ( 2.790 2.313 3.497) 5.036 14.707 ( 0.542 -3.877 5.869) 7.055 14.756 ( 1.810 -4.108 -2.271) 5.031 15.114 ( 0.738 0.709 -6.851) 6.927 15.367 ( -10.960 4.285 -8.481) 14.505 15.687 ( 0.553 0.101 -18.841) 18.849 16.046 ( -6.668 -1.788 -10.315) 12.412 16.741 ( 5.780 7.927 -0.906) 9.852 17.079 ( 3.428 -3.338 6.006) 7.679 17.169 ( 9.969 -3.038 1.638) 10.549 17.397 ( 1.056 -0.040 -4.196) 4.327 17.553 ( -4.306 4.008 -6.663) 8.888 17.809 ( 3.374 -4.316 -4.627) 7.171 17.963 ( -5.486 2.652 -2.719) 6.673 ======================= Grid point 9 (7/50) ======================= q-point: ( 0.47 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -1.458 6.885 13.823) 15.512 2.210 ( -1.204 0.265 -5.897) 6.024 2.268 ( 1.750 1.358 4.351) 4.882 2.333 ( 0.753 3.510 -2.724) 4.506 2.427 ( 0.664 -0.930 2.678) 2.912 2.558 ( -0.163 9.328 5.958) 11.070 2.610 ( 1.985 -5.216 -1.907) 5.898 2.726 ( 0.260 -3.927 4.062) 5.656 2.819 ( 0.164 -8.110 -6.946) 10.680 2.876 ( -2.127 0.333 -2.750) 3.493 2.985 ( 0.536 -0.711 4.054) 4.151 3.013 ( -1.656 0.201 0.993) 1.941 3.073 ( 1.223 0.135 5.626) 5.759 3.101 ( 0.466 -0.435 3.645) 3.700 3.160 ( -0.040 -0.129 1.501) 1.507 3.207 ( -5.084 0.905 -2.118) 5.581 3.233 ( -0.610 0.223 0.020) 0.649 3.250 ( 2.827 -0.588 -3.634) 4.641 3.363 ( -0.310 6.537 2.341) 6.950 3.434 ( 2.868 -1.594 -3.147) 4.547 3.533 ( -0.764 -1.313 3.832) 4.122 3.695 ( -0.644 -0.590 12.900) 12.929 3.729 ( -0.039 -0.760 0.638) 0.992 3.783 ( 1.619 0.360 0.479) 1.726 3.803 ( -2.523 -2.247 6.445) 7.276 3.818 ( -3.229 -0.472 9.364) 9.916 3.851 ( 0.238 -0.961 3.916) 4.039 3.925 ( 2.743 -1.060 11.966) 12.322 3.971 ( -0.522 1.360 0.453) 1.525 4.036 ( 4.204 0.679 0.495) 4.287 4.059 ( 0.050 0.216 -1.415) 1.432 4.272 ( -1.185 2.441 0.718) 2.807 4.309 ( 0.583 -0.865 -10.085) 10.139 4.330 ( -0.826 -0.995 -5.455) 5.607 4.553 ( 0.196 0.089 -0.149) 0.262 4.589 ( -0.722 -0.719 -2.823) 3.001 4.821 ( -0.376 -2.244 1.573) 2.766 4.928 ( -3.141 -1.708 -0.820) 3.668 4.939 ( 2.657 0.862 0.171) 2.798 5.010 ( 0.968 1.986 -0.565) 2.281 5.021 ( 1.408 1.608 -7.558) 7.854 5.082 ( -2.914 -0.665 -5.763) 6.491 5.108 ( 1.119 -4.589 -1.954) 5.112 5.138 ( 1.208 2.291 -1.949) 3.241 5.278 ( -2.355 -0.948 -4.343) 5.030 5.394 ( 0.436 -1.357 6.009) 6.175 5.547 ( 1.035 0.985 -7.431) 7.567 5.773 ( -0.160 1.303 -1.173) 1.760 6.052 ( -0.172 0.472 2.393) 2.445 6.067 ( -0.061 -0.158 3.934) 3.937 6.105 ( 0.697 1.298 3.121) 3.452 6.457 ( -0.176 0.414 -1.761) 1.818 6.491 ( -0.180 -0.294 -1.694) 1.729 6.677 ( 0.713 -0.206 0.608) 0.959 6.692 ( -0.134 0.371 0.071) 0.401 6.778 ( 0.322 -2.627 -1.151) 2.886 6.861 ( -0.454 -3.060 -1.993) 3.680 6.999 ( 0.044 1.224 -1.396) 1.857 7.052 ( -0.922 0.468 -0.553) 1.173 7.298 ( -0.085 1.031 -0.635) 1.214 7.338 ( 0.695 0.637 -0.960) 1.346 7.463 ( -1.051 6.373 7.773) 10.106 7.633 ( 0.143 -4.901 -8.717) 10.001 7.970 ( -0.972 1.812 -0.335) 2.084 8.008 ( -1.253 0.482 0.599) 1.470 8.200 ( 5.922 -3.525 0.354) 6.901 8.512 ( -4.032 -2.160 0.925) 4.667 8.559 ( -1.783 -2.215 0.926) 2.991 8.802 ( 3.471 -4.188 2.934) 6.181 8.881 ( 1.894 4.129 -4.413) 6.333 9.109 ( -4.085 1.775 3.753) 5.824 9.215 ( 1.639 -2.211 -1.970) 3.385 9.270 ( 1.603 -0.484 0.054) 1.675 9.489 ( -2.603 -8.161 6.741) 10.901 9.570 ( 1.093 12.358 5.151) 13.433 10.001 ( -0.288 3.720 -1.867) 4.172 10.059 ( -0.157 -4.629 -7.757) 9.035 10.187 ( 1.618 3.838 -1.117) 4.312 10.409 ( -8.720 -0.518 9.843) 13.161 10.555 ( 10.873 1.043 -0.553) 10.937 10.634 ( -5.629 2.548 -2.657) 6.726 10.953 ( 1.652 0.713 0.561) 1.885 11.073 ( 3.281 0.110 4.777) 5.796 11.278 ( -6.880 -13.728 -6.463) 16.660 11.413 ( 5.417 3.688 2.330) 6.955 11.761 ( 0.794 -1.945 1.271) 2.455 11.884 ( -0.163 7.541 0.007) 7.543 11.991 ( -5.377 8.061 5.767) 11.276 12.117 ( 2.782 0.237 -6.421) 7.002 12.281 ( 2.205 -0.450 0.319) 2.273 12.553 ( -0.845 -3.336 -5.864) 6.799 12.760 ( -10.465 0.169 3.043) 10.899 12.798 ( 8.805 -3.431 0.069) 9.451 13.042 ( 3.120 1.904 -5.982) 7.010 13.228 ( -2.223 5.271 -1.649) 5.954 13.710 ( -0.105 1.465 2.535) 2.930 13.793 ( -2.112 -2.417 -0.477) 3.245 13.895 ( 1.904 -0.694 -5.073) 5.463 14.288 ( 1.351 -3.055 0.692) 3.411 14.461 ( -0.657 -4.759 9.462) 10.612 14.542 ( -0.597 0.815 1.656) 1.940 14.648 ( -0.836 -1.966 -0.238) 2.150 14.732 ( 0.541 0.010 -5.040) 5.069 14.862 ( -0.364 2.410 -14.496) 14.700 14.979 ( 1.676 4.756 0.578) 5.076 15.077 ( -0.776 -1.772 -3.155) 3.701 15.889 ( -0.022 3.050 -0.964) 3.198 16.909 ( 0.380 -1.363 -0.491) 1.497 17.061 ( -1.054 -3.423 3.731) 5.171 17.096 ( 0.165 0.807 -1.681) 1.872 17.416 ( 0.722 7.600 -0.390) 7.644 17.457 ( -0.048 -8.629 -3.458) 9.296 17.803 ( -0.290 -9.643 6.252) 11.496 17.899 ( 0.085 9.092 -3.334) 9.684 ======================= Grid point 10 (8/50) ======================= q-point: ( 0.47 -0.03 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 4.339 0.667 3.760) 5.780 2.158 ( 0.932 -2.002 3.647) 4.264 2.210 ( -1.065 -0.760 -0.009) 1.308 2.336 ( 1.023 -2.477 -6.023) 6.592 2.456 ( 3.229 -4.745 -3.849) 6.911 2.484 ( 3.605 -3.827 -1.879) 5.584 2.603 ( 5.309 -6.319 7.452) 11.120 2.709 ( 0.171 1.375 0.711) 1.557 2.918 ( -1.379 6.708 2.450) 7.273 2.962 ( -4.774 0.693 2.814) 5.585 3.001 ( -1.235 2.554 1.873) 3.399 3.026 ( -2.529 0.392 1.329) 2.884 3.070 ( -1.966 -0.861 2.110) 3.010 3.084 ( -7.386 -0.174 2.376) 7.761 3.140 ( -2.152 1.057 0.755) 2.514 3.154 ( -0.761 2.679 -1.533) 3.179 3.225 ( 0.845 3.310 -1.238) 3.633 3.273 ( 0.088 2.936 -1.475) 3.287 3.302 ( 2.277 7.543 3.010) 8.434 3.419 ( 2.086 -3.406 -2.234) 4.576 3.594 ( -10.038 3.638 1.856) 10.837 3.611 ( 1.824 -0.130 10.530) 10.687 3.660 ( -4.328 1.837 3.498) 5.860 3.755 ( 0.273 0.316 6.184) 6.198 3.794 ( -1.502 2.737 8.576) 9.126 3.821 ( 1.254 -0.165 4.860) 5.022 3.860 ( 1.277 0.706 1.127) 1.844 3.901 ( -0.814 -1.760 10.233) 10.415 3.988 ( -1.664 -1.507 -2.636) 3.462 4.046 ( 1.662 0.028 7.760) 7.936 4.196 ( 4.127 -8.851 0.927) 9.810 4.265 ( -0.168 -0.572 -9.612) 9.630 4.313 ( 7.669 -0.627 -1.612) 7.862 4.339 ( 0.996 -1.045 -6.931) 7.080 4.509 ( 0.179 -2.365 1.268) 2.690 4.595 ( 1.994 -0.913 -2.378) 3.235 4.756 ( 1.994 -2.241 2.638) 3.995 4.864 ( -0.691 2.288 0.460) 2.434 4.991 ( 2.243 -3.972 2.473) 5.189 5.000 ( 2.024 -2.793 -3.797) 5.129 5.044 ( -2.058 3.065 -3.272) 4.933 5.059 ( -0.221 -0.442 -8.397) 8.411 5.121 ( 1.608 -0.708 -6.679) 6.906 5.194 ( -3.792 1.020 0.411) 3.948 5.265 ( 1.824 2.793 -0.516) 3.375 5.360 ( -0.272 -0.937 5.710) 5.792 5.552 ( -2.893 2.069 -8.104) 8.850 5.780 ( -0.120 0.184 -1.871) 1.884 6.066 ( 0.559 0.027 2.085) 2.159 6.075 ( 0.095 -0.035 3.480) 3.481 6.097 ( -2.106 1.132 1.542) 2.845 6.478 ( -1.398 1.608 -1.519) 2.617 6.547 ( 0.851 0.149 -0.345) 0.930 6.599 ( 0.916 -2.367 -1.201) 2.807 6.692 ( 1.010 -1.783 0.040) 2.050 6.714 ( -0.781 1.869 -0.203) 2.036 6.845 ( 2.309 -3.046 2.284) 4.453 7.032 ( -0.675 2.372 -2.265) 3.349 7.061 ( -3.372 2.774 -0.077) 4.367 7.302 ( 0.355 -0.838 -1.824) 2.038 7.344 ( 2.305 -2.490 -1.216) 3.604 7.538 ( -3.501 3.531 4.436) 6.664 7.608 ( 2.364 0.123 -8.313) 8.644 7.965 ( -0.418 0.904 -0.909) 1.348 8.049 ( -1.732 0.535 -0.373) 1.851 8.215 ( -3.889 2.334 3.665) 5.831 8.375 ( 3.345 -3.392 1.805) 5.094 8.548 ( 3.174 -6.289 7.010) 9.938 8.746 ( 6.945 -4.862 0.323) 8.484 8.960 ( 0.905 3.302 -3.149) 4.652 9.098 ( -3.261 5.226 0.388) 6.172 9.153 ( -0.402 -3.864 3.612) 5.305 9.289 ( 2.276 -6.192 0.287) 6.603 9.445 ( 6.849 -4.031 0.933) 8.002 9.728 ( -3.103 2.447 9.653) 10.431 10.006 ( 0.220 -0.302 -11.712) 11.718 10.143 ( -9.219 1.476 -3.970) 10.146 10.164 ( -0.556 16.579 -3.276) 16.909 10.306 ( -2.337 -0.583 3.934) 4.612 10.632 ( -1.410 -6.086 0.377) 6.258 10.695 ( 4.262 -5.727 -1.631) 7.322 10.873 ( -0.663 0.256 1.653) 1.799 11.097 ( -2.144 9.650 2.336) 10.158 11.135 ( 12.091 -3.682 -0.062) 12.639 11.385 ( -5.701 -6.947 7.276) 11.563 11.742 ( 4.783 -5.989 3.326) 8.355 11.974 ( -3.223 1.704 1.836) 4.081 12.041 ( 1.729 1.308 -8.404) 8.679 12.264 ( -0.392 7.091 -14.410) 16.065 12.387 ( -6.849 1.006 6.991) 9.839 12.487 ( -8.768 7.580 2.945) 11.958 12.539 ( 0.774 2.288 -7.786) 8.152 12.884 ( 2.553 -2.560 1.638) 3.969 13.033 ( -3.056 -0.007 -4.222) 5.212 13.272 ( 3.860 -1.686 -5.767) 7.141 13.740 ( -0.529 0.073 -0.640) 0.833 13.779 ( 1.792 1.587 3.328) 4.100 13.863 ( -1.337 -1.433 -4.746) 5.135 14.257 ( 2.431 -3.631 3.934) 5.880 14.412 ( 3.217 -2.588 13.558) 14.172 14.576 ( 0.046 0.885 3.211) 3.331 14.605 ( 0.352 -0.263 -0.884) 0.987 14.746 ( -1.021 0.804 -5.196) 5.356 14.878 ( -1.167 1.369 -16.103) 16.203 15.021 ( -0.602 -2.170 -3.621) 4.265 15.062 ( 0.861 1.186 -1.386) 2.017 15.926 ( -1.273 1.295 -4.947) 5.270 16.933 ( -1.840 2.731 8.475) 9.093 16.962 ( -0.629 -0.633 -1.260) 1.544 17.135 ( -0.471 1.405 -3.448) 3.753 17.353 ( 7.266 -7.300 1.473) 10.405 17.576 ( -1.339 -2.005 -0.449) 2.452 17.627 ( 3.754 -0.860 5.360) 6.600 17.989 ( -5.216 5.178 -2.490) 7.760 ======================= Grid point 13 (9/50) ======================= q-point: ( 0.47 -0.03 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -4.622 7.552 16.310) 18.559 2.084 ( -13.762 10.775 11.947) 21.172 2.257 ( 1.835 -0.422 1.007) 2.135 2.346 ( -0.348 -1.845 -5.254) 5.579 2.414 ( -2.283 3.327 0.211) 4.040 2.459 ( -3.456 2.575 0.237) 4.316 2.708 ( 1.783 -5.316 0.273) 5.614 2.755 ( 1.503 0.304 -3.358) 3.692 2.922 ( -0.086 -5.773 0.360) 5.785 2.967 ( 5.444 3.429 -1.759) 6.670 2.982 ( -0.728 -0.816 3.979) 4.126 3.035 ( 2.307 -0.362 3.736) 4.406 3.072 ( 0.287 -2.239 -0.367) 2.287 3.104 ( 0.693 -1.419 3.105) 3.483 3.133 ( 2.988 -0.747 1.773) 3.553 3.153 ( 6.513 2.094 2.649) 7.336 3.203 ( 0.331 -1.499 -4.234) 4.504 3.293 ( -4.355 1.563 -2.080) 5.073 3.357 ( 2.291 0.297 -0.377) 2.341 3.383 ( -5.215 -7.363 -2.453) 9.350 3.556 ( 7.820 -7.416 3.693) 11.392 3.654 ( -0.515 0.687 9.850) 9.888 3.694 ( 9.540 -2.632 0.002) 9.897 3.744 ( 2.501 -2.160 4.003) 5.191 3.790 ( 0.021 -0.743 3.762) 3.835 3.834 ( 0.388 0.884 3.567) 3.695 3.872 ( -2.506 0.135 15.471) 15.674 3.896 ( 1.247 0.054 3.396) 3.618 3.984 ( 0.265 0.280 10.313) 10.320 4.046 ( -0.479 -0.654 -5.727) 5.784 4.192 ( -9.758 4.198 2.539) 10.922 4.238 ( -4.728 6.851 -5.524) 9.990 4.307 ( 1.978 -2.060 -7.324) 7.861 4.361 ( -0.374 0.061 -4.934) 4.948 4.557 ( -0.560 3.633 -3.200) 4.873 4.567 ( -2.391 1.468 0.069) 2.806 4.798 ( -0.395 0.342 -1.295) 1.396 4.894 ( 0.964 -1.072 -2.641) 3.008 4.951 ( -0.904 1.803 -0.205) 2.028 4.991 ( -1.391 -0.928 0.120) 1.677 5.043 ( -1.229 2.063 -5.563) 6.059 5.079 ( 0.997 0.910 -4.042) 4.261 5.108 ( -1.399 0.257 -5.303) 5.491 5.214 ( 1.876 -4.606 -2.741) 5.678 5.302 ( 3.245 1.770 -3.370) 5.002 5.395 ( 1.034 -2.040 5.196) 5.677 5.518 ( 0.803 -2.577 -8.098) 8.536 5.755 ( -1.017 1.394 0.717) 1.869 6.045 ( -0.166 0.460 3.745) 3.776 6.069 ( -1.259 0.294 3.208) 3.459 6.082 ( 1.116 -0.978 3.656) 3.945 6.468 ( -0.334 -0.373 -0.328) 0.599 6.563 ( 3.222 3.157 -1.078) 4.638 6.599 ( -2.847 -4.271 -1.916) 5.478 6.692 ( 0.180 1.046 -0.503) 1.174 6.745 ( 0.304 -0.595 -2.456) 2.546 6.922 ( -0.475 2.468 -4.847) 5.460 7.009 ( 2.113 -4.662 0.075) 5.119 7.059 ( 3.355 -1.220 -0.369) 3.589 7.277 ( -1.644 2.041 0.469) 2.662 7.324 ( -3.752 3.129 0.920) 4.971 7.409 ( -1.447 1.775 7.192) 7.548 7.692 ( 0.264 -1.268 -6.268) 6.400 7.960 ( 0.193 -0.390 -0.390) 0.584 8.057 ( 5.756 0.058 -1.382) 5.920 8.226 ( -3.060 -10.079 1.222) 10.604 8.429 ( 4.900 4.263 -2.984) 7.148 8.643 ( 0.133 8.605 -1.436) 8.725 8.785 ( -3.956 -4.609 -3.903) 7.220 8.884 ( -2.840 -4.633 2.365) 5.926 9.133 ( 1.735 9.510 1.822) 9.837 9.163 ( -3.092 -2.826 0.747) 4.255 9.297 ( -2.490 1.790 -1.214) 3.298 9.454 ( -4.508 6.080 1.854) 7.792 9.595 ( -1.250 2.359 10.868) 11.191 10.014 ( 0.556 -5.608 6.532) 8.627 10.063 ( 4.876 -3.039 0.460) 5.764 10.211 ( 1.386 -10.356 -13.551) 17.111 10.317 ( 6.996 5.796 3.972) 9.915 10.564 ( 0.192 8.347 7.503) 11.225 10.607 ( -4.847 0.911 3.410) 5.996 10.930 ( -6.233 0.326 -2.690) 6.797 11.091 ( -0.847 -3.053 0.090) 3.169 11.247 ( -2.095 -3.488 -5.785) 7.072 11.542 ( 9.216 8.093 -8.980) 15.201 11.699 ( -5.150 -5.372 10.636) 12.980 11.805 ( -2.099 6.683 2.057) 7.300 11.951 ( -2.190 2.313 8.806) 9.364 12.136 ( 0.572 -4.280 -2.870) 5.185 12.384 ( 1.265 -3.977 6.130) 7.416 12.576 ( 5.489 -5.404 -9.315) 12.087 12.625 ( 8.161 -2.794 -4.503) 9.730 12.942 ( 1.499 3.313 -0.865) 3.738 12.995 ( -7.243 -3.578 -3.391) 8.761 13.123 ( -3.930 8.103 5.013) 10.307 13.699 ( -0.752 0.855 2.946) 3.158 13.836 ( 3.520 0.348 -2.569) 4.372 13.887 ( -1.566 -2.014 -5.837) 6.370 14.320 ( -1.937 0.574 -2.394) 3.133 14.536 ( 2.943 -0.810 8.319) 8.862 14.548 ( 0.707 -2.017 2.871) 3.579 14.653 ( 3.128 -1.387 -4.020) 5.279 14.752 ( -1.028 -0.223 -4.231) 4.360 14.824 ( -1.440 2.637 -11.114) 11.513 14.906 ( -3.238 1.414 -2.409) 4.277 15.098 ( -0.048 0.382 -0.385) 0.545 15.854 ( -1.678 1.700 2.277) 3.300 16.942 ( 2.283 -3.595 0.848) 4.342 17.051 ( 2.877 0.189 -0.406) 2.912 17.128 ( 2.555 -3.662 -6.781) 8.120 17.326 ( -6.671 5.806 2.854) 9.293 17.627 ( 0.218 0.256 -4.373) 4.386 17.727 ( -3.665 3.333 -4.201) 6.495 17.905 ( 6.385 -6.271 6.312) 10.951 ======================= Grid point 14 (10/50) ======================= q-point: (-0.29 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 1.684 -7.397 -20.686) 22.034 1.645 ( -1.604 -24.607 -17.415) 30.189 2.226 ( -0.190 0.992 -3.827) 3.958 2.368 ( 1.370 0.575 0.100) 1.489 2.424 ( -1.458 -1.670 0.104) 2.219 2.461 ( 0.043 -0.570 1.744) 1.835 2.622 ( 0.031 0.168 -19.619) 19.620 2.727 ( -0.176 6.425 -3.231) 7.194 2.878 ( -1.402 6.292 -5.336) 8.369 2.914 ( -0.853 2.022 -2.186) 3.097 2.948 ( -1.162 0.170 -7.466) 7.557 2.980 ( -0.867 4.304 -5.817) 7.288 2.997 ( 3.309 -2.042 -3.260) 5.074 3.061 ( 2.958 -2.368 -3.870) 5.416 3.142 ( -0.085 0.257 -9.131) 9.135 3.144 ( -0.970 -4.088 2.489) 4.883 3.184 ( 0.645 -2.770 -0.605) 2.908 3.276 ( 0.666 0.949 -15.461) 15.504 3.326 ( -2.578 -1.098 -4.494) 5.296 3.369 ( 3.448 8.801 2.127) 9.689 3.436 ( -2.770 1.986 -5.858) 6.777 3.481 ( -0.449 -0.351 -4.411) 4.448 3.543 ( -1.913 3.270 -11.523) 12.130 3.573 ( 0.988 1.795 -7.140) 7.429 3.697 ( -0.082 -2.574 -4.019) 4.773 3.785 ( 0.921 0.138 0.791) 1.222 3.874 ( 1.267 -2.251 -0.355) 2.607 3.899 ( 4.518 5.019 3.894) 7.795 3.960 ( 0.302 1.855 3.681) 4.133 4.127 ( -12.579 2.447 3.586) 13.307 4.177 ( 5.608 -2.657 2.061) 6.539 4.206 ( -0.254 1.626 4.029) 4.352 4.385 ( 0.573 1.036 -0.272) 1.214 4.409 ( -0.400 -1.285 1.029) 1.694 4.554 ( 1.862 -2.968 2.707) 4.427 4.632 ( -0.308 -5.822 4.576) 7.412 4.802 ( -0.122 -0.206 0.337) 0.413 4.964 ( 0.141 -0.149 -0.178) 0.272 4.969 ( 0.497 -0.765 1.870) 2.080 4.989 ( -0.372 0.443 1.539) 1.644 5.167 ( -1.402 2.090 4.894) 5.503 5.177 ( 0.777 2.016 2.597) 3.378 5.195 ( 1.171 -0.469 5.126) 5.279 5.262 ( -0.480 3.052 0.588) 3.145 5.428 ( -3.637 2.014 7.990) 9.007 5.461 ( 4.717 0.347 8.824) 10.011 5.664 ( -2.587 1.361 2.743) 4.008 5.732 ( 1.571 -5.201 1.466) 5.628 5.947 ( 0.422 -0.909 -6.907) 6.979 5.950 ( -0.674 -1.635 -5.729) 5.995 5.993 ( -0.293 1.240 -4.589) 4.763 6.468 ( 0.034 -1.256 0.826) 1.504 6.610 ( 2.388 3.666 4.263) 6.109 6.655 ( -2.742 -1.156 2.002) 3.587 6.733 ( 0.027 3.466 1.896) 3.950 6.836 ( -0.755 -1.538 3.797) 4.166 6.995 ( -0.210 1.928 3.463) 3.969 7.027 ( 1.584 -0.119 -1.305) 2.056 7.135 ( 0.450 5.037 5.423) 7.415 7.257 ( -0.312 -3.295 0.379) 3.331 7.272 ( 2.473 -2.444 -1.468) 3.774 7.322 ( -2.231 -3.376 1.210) 4.224 7.669 ( -0.284 -5.976 -3.834) 7.106 8.030 ( -2.749 9.762 3.261) 10.652 8.094 ( 4.134 4.411 3.942) 7.217 8.383 ( -8.310 7.443 3.657) 11.740 8.451 ( 8.565 -7.360 -0.149) 11.294 8.661 ( 2.432 5.381 2.718) 6.500 8.763 ( -8.195 0.478 -3.752) 9.026 8.938 ( -1.953 0.962 5.980) 6.364 8.999 ( 7.646 -0.406 -3.129) 8.271 9.128 ( -0.770 -10.474 -4.194) 11.309 9.247 ( 0.920 -1.463 -5.918) 6.165 9.367 ( -6.309 2.732 0.193) 6.878 9.488 ( 4.862 -7.488 2.927) 9.396 9.887 ( -2.569 0.492 -6.513) 7.018 9.969 ( -1.372 -2.708 -11.180) 11.585 10.049 ( 5.418 -4.537 -13.031) 14.824 10.408 ( 0.238 5.651 -4.450) 7.197 10.548 ( -4.658 1.941 5.577) 7.521 10.700 ( 7.306 1.437 4.975) 8.955 10.860 ( -5.288 -3.719 -2.488) 6.927 11.109 ( -0.176 -8.496 4.584) 9.655 11.371 ( -1.854 11.809 -3.578) 12.478 11.415 ( 0.613 4.221 -11.636) 12.394 11.623 ( 2.376 -7.190 -4.410) 8.763 11.747 ( 0.173 -1.707 -7.534) 7.727 11.936 ( 0.076 -6.410 21.445) 22.382 12.220 ( 0.321 4.348 0.118) 4.361 12.303 ( -2.141 0.444 -2.902) 3.634 12.510 ( 0.961 -4.838 -10.805) 11.877 12.829 ( 0.625 3.522 7.184) 8.025 12.946 ( 0.691 0.637 9.256) 9.304 13.001 ( -1.351 -6.831 0.586) 6.988 13.217 ( -0.161 0.316 3.138) 3.158 13.718 ( 0.264 -0.417 6.528) 6.547 13.883 ( 2.080 4.488 0.085) 4.947 13.964 ( -2.213 -2.781 2.020) 4.088 14.382 ( 0.653 6.735 0.748) 6.808 14.462 ( -3.024 4.531 -1.578) 5.672 14.507 ( 3.013 -0.862 1.605) 3.521 14.700 ( 1.195 0.016 0.849) 1.466 14.792 ( -1.597 0.474 -5.379) 5.631 14.906 ( -0.414 -0.430 8.867) 8.887 15.057 ( 0.566 -9.511 3.949) 10.314 15.284 ( -0.133 0.589 22.685) 22.693 15.802 ( -0.104 -4.180 0.471) 4.208 17.020 ( -4.970 5.613 1.393) 7.625 17.059 ( 7.640 3.940 -1.098) 8.666 17.224 ( -3.744 4.179 6.823) 8.834 17.357 ( 1.244 -6.304 5.970) 8.771 17.656 ( -0.606 6.650 1.700) 6.891 17.789 ( 1.332 -2.575 -1.043) 3.081 17.818 ( -0.819 1.232 -4.333) 4.579 ======================= Grid point 16 (11/50) ======================= q-point: (-0.29 -0.04 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 11.968 9.271 -15.110) 21.389 2.082 ( -2.603 -1.838 -8.425) 9.007 2.238 ( 10.042 2.469 -4.132) 11.136 2.402 ( 0.817 0.796 0.199) 1.158 2.443 ( 3.023 6.622 -0.422) 7.292 2.451 ( 3.008 -1.004 -4.673) 5.648 2.618 ( -0.508 2.000 -10.837) 11.032 2.631 ( -1.074 0.049 1.086) 1.528 2.743 ( -5.307 1.573 -9.882) 11.327 2.901 ( -3.192 -0.159 -10.663) 11.132 2.912 ( -0.108 -1.111 -6.968) 7.057 2.939 ( 1.261 1.271 -4.770) 5.095 3.024 ( -1.335 -2.179 -1.321) 2.877 3.038 ( -7.706 -1.417 3.696) 8.663 3.110 ( 2.228 -2.922 -1.271) 3.889 3.159 ( -3.174 2.021 -13.474) 13.990 3.232 ( 2.951 -2.154 -12.038) 12.581 3.277 ( -3.372 -5.931 -0.778) 6.867 3.301 ( 4.189 1.058 -6.978) 8.207 3.333 ( -1.724 -7.166 1.794) 7.585 3.366 ( -4.528 -2.212 0.748) 5.095 3.409 ( 2.882 -3.166 -2.210) 4.818 3.477 ( -3.189 -0.046 -19.057) 19.322 3.498 ( -0.025 0.702 -5.658) 5.701 3.683 ( 5.387 -7.615 -0.892) 9.370 3.723 ( -0.129 -4.420 -0.520) 4.453 3.811 ( -0.504 3.212 1.804) 3.718 3.878 ( 0.432 0.905 3.225) 3.378 4.007 ( 0.667 -1.892 0.526) 2.074 4.132 ( -0.406 4.344 2.735) 5.150 4.154 ( -2.317 7.323 -1.022) 7.749 4.316 ( -0.383 2.202 -1.992) 2.994 4.411 ( 2.654 4.158 2.389) 5.481 4.446 ( 0.740 1.487 2.789) 3.246 4.592 ( -3.916 -1.328 3.878) 5.669 4.686 ( 1.096 1.353 4.057) 4.415 4.773 ( -2.943 -1.015 -1.804) 3.598 4.891 ( -3.484 -1.287 0.696) 3.778 5.003 ( -0.924 1.684 0.717) 2.050 5.066 ( 3.480 2.532 0.946) 4.407 5.099 ( -0.307 -1.517 1.236) 1.980 5.153 ( -1.981 0.854 3.765) 4.339 5.196 ( -0.745 1.161 3.105) 3.398 5.247 ( 1.362 0.031 5.837) 5.994 5.328 ( -1.354 -4.510 4.805) 6.728 5.514 ( -4.248 4.169 10.767) 12.302 5.625 ( 2.622 -1.742 5.333) 6.193 5.808 ( 3.000 -1.797 1.895) 3.977 5.943 ( 0.088 -0.687 -7.552) 7.584 5.967 ( 0.421 -0.667 -5.894) 5.947 5.997 ( 1.350 1.185 -4.412) 4.764 6.475 ( 0.070 -2.884 1.361) 3.189 6.604 ( -0.801 4.020 4.253) 5.907 6.631 ( 2.484 -0.341 0.251) 2.520 6.718 ( -1.498 -0.405 0.729) 1.714 6.794 ( -2.058 -2.311 3.854) 4.942 6.898 ( -5.108 0.398 1.322) 5.291 6.993 ( 1.495 -2.510 0.220) 2.930 7.105 ( -0.774 -1.680 3.332) 3.811 7.308 ( 1.937 -2.230 -3.303) 4.431 7.343 ( 1.793 1.580 1.972) 3.098 7.390 ( 2.646 1.567 -0.802) 3.178 7.873 ( 4.903 6.905 7.546) 11.343 7.987 ( 1.444 4.006 -1.565) 4.537 8.045 ( -6.981 -5.605 2.664) 9.341 8.103 ( -2.961 1.942 4.600) 5.805 8.458 ( -3.308 -2.830 -1.617) 4.644 8.581 ( -9.172 -0.952 -4.753) 10.375 8.713 ( 5.365 0.886 -3.763) 6.613 8.950 ( -1.234 1.981 3.695) 4.371 9.005 ( 1.493 -3.713 -4.879) 6.310 9.222 ( -1.440 -4.343 3.326) 5.657 9.321 ( -3.255 9.518 -3.980) 10.818 9.386 ( 2.882 5.392 -5.814) 8.437 9.601 ( 0.843 1.120 -1.557) 2.095 9.945 ( 6.353 -2.841 -4.206) 8.131 10.059 ( 9.198 -0.506 1.593) 9.348 10.221 ( -8.525 -3.360 -2.961) 9.630 10.321 ( 8.624 0.231 -8.777) 12.307 10.484 ( -0.841 5.243 3.344) 6.275 10.694 ( 4.139 -1.865 -0.415) 4.559 10.846 ( -4.105 -5.058 0.153) 6.516 11.076 ( 0.331 -3.946 2.818) 4.860 11.162 ( -3.091 -5.494 -2.657) 6.841 11.364 ( -4.072 2.304 -9.609) 10.687 11.701 ( -3.084 2.848 -9.254) 10.161 11.848 ( -1.012 6.135 -12.776) 14.208 12.131 ( -1.576 1.221 4.192) 4.642 12.248 ( 14.434 4.802 16.050) 22.114 12.309 ( 2.378 2.074 2.282) 3.895 12.538 ( 1.373 -6.153 -0.424) 6.319 12.787 ( -1.415 -6.255 9.836) 11.742 12.919 ( -5.376 8.717 3.569) 10.845 13.071 ( 2.081 -3.804 6.868) 8.123 13.228 ( 7.298 -4.259 -1.332) 8.554 13.798 ( 5.401 2.516 7.976) 9.956 13.833 ( -3.645 2.933 -2.334) 5.229 13.926 ( -4.854 -2.826 3.928) 6.854 14.229 ( -2.741 -1.746 -1.848) 3.738 14.345 ( -6.208 0.545 -4.862) 7.904 14.542 ( 0.213 -1.923 -0.483) 1.994 14.692 ( -2.290 2.487 3.801) 5.086 14.801 ( 2.576 0.326 -1.345) 2.924 14.938 ( 0.944 -0.060 6.042) 6.116 15.217 ( 4.924 0.738 9.027) 10.309 15.272 ( -0.338 -0.198 20.394) 20.398 15.928 ( 6.131 1.330 2.866) 6.897 16.787 ( -4.339 -6.903 -4.865) 9.495 17.105 ( -4.889 0.105 6.433) 8.081 17.162 ( -0.728 7.893 -1.961) 8.166 17.393 ( -0.830 -3.404 1.804) 3.941 17.524 ( -3.491 -0.320 -6.445) 7.337 17.722 ( -4.407 2.514 3.321) 6.064 17.916 ( 6.885 -3.109 2.256) 7.884 ======================= Grid point 17 (12/50) ======================= q-point: (-0.29 -0.04 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -9.766 -10.153 -15.834) 21.193 2.162 ( 5.482 3.661 -5.658) 8.687 2.252 ( -5.220 -14.649 -3.164) 15.869 2.347 ( -3.291 1.035 -6.431) 7.298 2.408 ( -0.877 -1.942 1.816) 2.800 2.501 ( -2.090 -4.986 -3.381) 6.376 2.601 ( -1.098 3.931 -10.872) 11.613 2.706 ( -1.438 -0.170 -5.475) 5.663 2.785 ( -0.259 -0.516 -7.679) 7.700 2.899 ( -1.917 5.367 -0.912) 5.771 2.920 ( 0.112 -0.053 -4.405) 4.407 2.943 ( -0.218 1.552 -9.583) 9.710 2.987 ( 0.534 5.305 3.501) 6.378 3.028 ( -0.115 2.023 -3.094) 3.698 3.058 ( 6.610 -3.609 -3.557) 8.328 3.146 ( -2.662 2.290 -14.835) 15.245 3.177 ( 2.762 -1.377 -0.017) 3.086 3.229 ( 9.500 6.478 3.087) 11.906 3.274 ( 1.995 -1.720 -10.936) 11.249 3.364 ( 1.570 1.507 -8.187) 8.471 3.404 ( 1.497 1.994 -8.650) 9.002 3.458 ( -1.374 0.958 -7.027) 7.223 3.476 ( -0.743 3.303 -5.910) 6.811 3.535 ( 2.166 -4.649 -4.645) 6.920 3.648 ( 4.957 -5.613 -2.388) 7.860 3.679 ( 4.248 1.460 1.346) 4.689 3.860 ( 0.560 0.682 3.132) 3.254 3.880 ( -2.551 -3.870 1.390) 4.839 3.959 ( -0.580 1.424 -0.197) 1.550 4.148 ( 0.077 1.916 4.754) 5.126 4.239 ( -1.714 -0.846 -3.328) 3.838 4.327 ( -1.642 0.700 -0.127) 1.790 4.387 ( -7.443 -0.098 2.171) 7.754 4.458 ( -2.137 -1.518 4.342) 5.072 4.604 ( -0.703 2.921 3.025) 4.264 4.638 ( -0.196 0.062 3.689) 3.695 4.769 ( 0.578 2.884 -1.418) 3.265 4.882 ( 0.927 3.623 -0.019) 3.740 4.992 ( -2.545 0.139 1.168) 2.804 5.048 ( -0.634 -3.882 0.220) 3.940 5.126 ( 1.530 0.505 1.091) 1.946 5.168 ( -1.765 3.571 3.200) 5.110 5.196 ( -0.878 -0.316 1.322) 1.618 5.231 ( -0.351 -1.708 6.401) 6.634 5.336 ( 5.010 1.883 7.702) 9.379 5.483 ( -4.407 1.751 9.890) 10.968 5.659 ( 1.556 -0.018 4.809) 5.055 5.802 ( 1.752 -3.845 2.313) 4.817 5.932 ( 0.243 -0.072 -7.741) 7.745 5.976 ( 0.171 0.317 -4.348) 4.363 6.013 ( 0.501 -1.816 -5.456) 5.772 6.491 ( 3.761 -0.003 1.909) 4.218 6.566 ( -4.326 -1.223 2.838) 5.316 6.670 ( 0.830 0.051 0.650) 1.056 6.714 ( -1.984 0.061 0.542) 2.057 6.767 ( 3.972 3.707 3.531) 6.480 6.922 ( 0.399 4.713 2.315) 5.266 7.013 ( 3.175 -2.355 1.322) 4.169 7.056 ( -1.137 0.934 2.333) 2.758 7.285 ( 0.327 -2.201 -3.682) 4.303 7.365 ( 0.027 -3.523 1.537) 3.844 7.393 ( -1.209 -0.763 0.247) 1.451 7.825 ( -7.863 1.111 5.293) 9.543 7.957 ( -1.584 -0.254 0.296) 1.631 8.059 ( 0.024 -2.439 5.638) 6.143 8.231 ( 8.951 6.241 0.173) 10.913 8.380 ( -4.567 0.161 -1.532) 4.819 8.576 ( -1.619 9.619 -1.068) 9.813 8.782 ( 5.932 -3.100 -3.266) 7.448 8.905 ( -0.140 0.440 -4.196) 4.221 9.093 ( -0.347 -0.703 0.777) 1.104 9.131 ( 0.259 1.307 0.614) 1.467 9.326 ( -6.997 -0.318 -3.750) 7.945 9.456 ( -5.516 5.523 -2.679) 8.252 9.550 ( 1.416 -7.402 -1.823) 7.753 9.942 ( 0.254 -2.440 -0.754) 2.567 10.033 ( 3.144 -7.561 -7.599) 11.172 10.155 ( -7.671 -3.235 -6.594) 10.620 10.277 ( 4.577 4.167 2.922) 6.845 10.576 ( 0.581 -5.893 -1.873) 6.211 10.691 ( -1.114 -5.998 4.674) 7.685 10.948 ( 7.392 10.046 1.602) 12.575 11.036 ( 6.200 -1.858 -3.262) 7.248 11.173 ( 4.145 5.527 -2.080) 7.215 11.338 ( -3.225 1.359 -8.215) 8.929 11.717 ( -1.740 2.782 -10.206) 10.720 11.781 ( -8.060 -0.060 -9.805) 12.693 12.162 ( -2.052 1.781 2.411) 3.632 12.250 ( -4.807 -12.630 10.422) 17.066 12.355 ( -0.706 -4.536 5.279) 6.996 12.520 ( 6.577 -1.141 3.048) 7.338 12.726 ( 0.951 4.139 5.183) 6.701 12.946 ( -3.426 1.994 8.535) 9.410 13.122 ( 3.399 1.124 1.812) 4.013 13.201 ( 4.435 -8.985 2.832) 10.413 13.746 ( -3.621 -1.698 3.630) 5.401 13.821 ( -2.469 1.714 3.838) 4.875 13.989 ( 3.300 2.829 1.878) 4.735 14.223 ( 1.446 2.561 -4.091) 5.039 14.356 ( 0.077 7.691 -2.267) 8.018 14.503 ( -0.425 -1.205 -2.420) 2.737 14.680 ( -1.966 0.824 3.254) 3.890 14.853 ( 1.985 -1.990 -2.490) 3.755 14.919 ( -1.474 0.152 9.138) 9.258 15.208 ( -0.811 -5.047 7.192) 8.823 15.281 ( 0.389 0.112 21.423) 21.427 15.935 ( -1.070 -6.256 3.490) 7.243 16.783 ( 7.187 4.760 -6.059) 10.537 17.038 ( -5.143 2.665 2.574) 6.338 17.247 ( -4.027 3.564 5.970) 8.035 17.368 ( 3.665 -0.207 -1.539) 3.980 17.539 ( 1.519 3.763 -7.302) 8.353 17.709 ( -3.258 4.110 4.302) 6.783 17.917 ( 3.076 -6.731 2.209) 7.723 ======================= Grid point 18 (13/50) ======================= q-point: (-0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -0.000 -0.000 -23.897) 23.897 0.470 ( -0.000 -0.000 -23.897) 23.897 1.014 ( -0.000 -0.000 -50.113) 50.113 2.103 ( -0.000 -0.000 -11.681) 11.681 2.138 ( -0.000 -0.000 -2.024) 2.024 2.413 ( -0.000 -0.000 -3.671) 3.671 2.413 ( -0.000 -0.000 -3.671) 3.671 2.511 ( -0.000 -0.000 -6.622) 6.622 2.511 ( -0.000 -0.000 -6.622) 6.622 2.631 ( -0.000 -0.000 -4.874) 4.874 2.648 ( -0.000 -0.000 -7.335) 7.335 2.735 ( -0.000 -0.000 -0.745) 0.745 2.830 ( -0.000 -0.000 -0.634) 0.634 2.830 ( -0.000 -0.000 -0.634) 0.634 3.043 ( 0.000 0.000 0.477) 0.477 3.043 ( 0.000 0.000 0.477) 0.477 3.088 ( -0.000 -0.000 -0.693) 0.693 3.110 ( -0.000 -0.000 -4.037) 4.037 3.261 ( -0.000 -0.000 -3.682) 3.682 3.261 ( -0.000 -0.000 -3.682) 3.682 3.422 ( 0.000 0.000 0.143) 0.143 3.529 ( 0.000 0.000 1.941) 1.941 3.545 ( 0.000 0.000 0.632) 0.632 3.545 ( 0.000 0.000 0.632) 0.632 3.624 ( 0.000 0.000 4.859) 4.859 3.878 ( 0.000 0.000 0.758) 0.758 3.891 ( 0.000 0.000 1.799) 1.799 4.079 ( 0.000 0.000 0.947) 0.947 4.120 ( 0.000 0.000 2.318) 2.318 4.259 ( -0.000 -0.000 -2.151) 2.151 4.264 ( 0.000 0.000 1.387) 1.387 4.264 ( 0.000 0.000 1.387) 1.387 4.407 ( 0.000 0.000 0.685) 0.685 4.407 ( 0.000 0.000 0.685) 0.685 4.567 ( -0.000 -0.000 -0.150) 0.150 4.638 ( -0.000 -0.000 -0.245) 0.245 4.883 ( -0.000 -0.000 -1.076) 1.076 4.926 ( 0.000 0.000 3.714) 3.714 5.037 ( 0.000 0.000 0.922) 0.922 5.037 ( 0.000 0.000 0.922) 0.922 5.044 ( -0.000 -0.000 -5.142) 5.142 5.340 ( 0.000 0.000 3.492) 3.492 5.340 ( 0.000 0.000 3.492) 3.492 5.465 ( 0.000 0.000 6.659) 6.659 5.534 ( -0.000 -0.000 -5.649) 5.649 5.534 ( -0.000 -0.000 -5.649) 5.649 5.593 ( -0.000 -0.000 -0.176) 0.176 5.737 ( -0.000 -0.000 -2.570) 2.570 5.811 ( 0.000 0.000 0.663) 0.663 5.811 ( 0.000 0.000 0.663) 0.663 6.048 ( 0.000 0.000 3.127) 3.127 6.474 ( 0.000 0.000 0.608) 0.608 6.781 ( 0.000 0.000 2.599) 2.599 6.781 ( 0.000 0.000 2.599) 2.599 6.858 ( -0.000 -0.000 -3.493) 3.493 6.945 ( 0.000 0.000 1.948) 1.948 6.945 ( 0.000 0.000 1.948) 1.948 7.142 ( 0.000 0.000 3.400) 3.400 7.270 ( -0.000 -0.000 -2.674) 2.674 7.290 ( 0.000 0.000 1.530) 1.530 7.290 ( 0.000 0.000 1.530) 1.530 7.373 ( 0.000 0.000 3.796) 3.796 7.634 ( 0.000 0.000 2.560) 2.560 8.299 ( -0.000 -0.000 -0.939) 0.939 8.333 ( 0.000 0.000 2.711) 2.711 8.333 ( 0.000 0.000 2.711) 2.711 8.481 ( 0.000 0.000 3.038) 3.038 8.691 ( -0.000 -0.000 -2.582) 2.582 8.691 ( -0.000 -0.000 -2.582) 2.582 8.899 ( -0.000 -0.000 -0.242) 0.242 8.907 ( -0.000 -0.000 -3.615) 3.615 9.142 ( -0.000 -0.000 -0.528) 0.528 9.142 ( -0.000 -0.000 -0.528) 0.528 9.221 ( -0.000 -0.000 -7.443) 7.443 9.456 ( 0.000 0.000 1.540) 1.540 9.707 ( 0.000 0.000 2.853) 2.853 9.707 ( 0.000 0.000 2.853) 2.853 9.971 ( 0.000 0.000 7.195) 7.195 10.299 ( -0.000 -0.000 -2.644) 2.644 10.493 ( -0.000 -0.000 -6.196) 6.196 10.617 ( -0.000 -0.000 -6.783) 6.783 10.617 ( -0.000 -0.000 -6.783) 6.783 10.862 ( -0.000 -0.000 -6.638) 6.638 11.044 ( -0.000 -0.000 -5.984) 5.984 11.475 ( 0.000 0.000 0.003) 0.003 11.475 ( 0.000 0.000 0.003) 0.003 11.692 ( 0.000 0.000 1.575) 1.575 12.020 ( -0.000 -0.000 -7.102) 7.102 12.020 ( -0.000 -0.000 -7.102) 7.102 12.310 ( 0.000 0.000 1.429) 1.429 12.441 ( 0.000 0.000 4.301) 4.301 12.972 ( 0.000 0.000 0.446) 0.446 12.972 ( 0.000 0.000 0.446) 0.446 13.229 ( 0.000 0.000 1.599) 1.599 13.789 ( 0.000 0.000 21.923) 21.923 13.821 ( -0.000 -0.000 -4.513) 4.513 13.948 ( 0.000 0.000 2.731) 2.731 13.948 ( 0.000 0.000 2.731) 2.731 14.270 ( -0.000 -0.000 -9.463) 9.463 14.459 ( -0.000 -0.000 -3.289) 3.289 14.459 ( -0.000 -0.000 -3.289) 3.289 14.545 ( -0.000 -0.000 -1.490) 1.490 14.772 ( 0.000 0.000 2.826) 2.826 15.279 ( 0.000 0.000 7.107) 7.107 15.279 ( 0.000 0.000 7.107) 7.107 16.154 ( 0.000 0.000 12.054) 12.054 16.158 ( 0.000 0.000 20.486) 20.486 17.148 ( 0.000 0.000 1.221) 1.221 17.148 ( 0.000 0.000 1.221) 1.221 17.202 ( -0.000 -0.000 -21.391) 21.391 17.360 ( 0.000 0.000 0.770) 0.770 17.705 ( 0.000 0.000 7.970) 7.970 17.896 ( 0.000 0.000 3.682) 3.682 17.896 ( 0.000 0.000 3.682) 3.682 ======================= Grid point 19 (14/50) ======================= q-point: (-0.06 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 20.365 13.791 -12.237) 27.471 1.165 ( 7.739 7.876 -41.729) 43.165 1.379 ( 29.001 33.968 -6.522) 45.138 1.948 ( -8.621 -8.125 -17.924) 21.484 2.073 ( -6.601 -4.792 -2.590) 8.558 2.340 ( -1.205 -2.391 -2.106) 3.406 2.402 ( 4.713 -3.862 -7.241) 9.464 2.488 ( -2.569 2.312 -1.522) 3.776 2.511 ( -0.924 2.153 -7.361) 7.725 2.603 ( -1.478 -2.049 -0.913) 2.686 2.739 ( 3.333 2.621 -0.468) 4.266 2.779 ( 3.957 3.336 -5.599) 7.625 2.835 ( -9.439 2.708 -1.397) 9.919 2.884 ( 1.782 -2.700 0.156) 3.239 2.937 ( -1.549 -2.348 -4.073) 4.950 2.961 ( 1.000 -1.681 -4.684) 5.076 3.040 ( -1.511 -6.193 -2.490) 6.843 3.048 ( -2.765 -4.298 -3.098) 5.976 3.197 ( 0.361 3.969 0.372) 4.003 3.378 ( -7.203 -5.032 2.168) 9.050 3.411 ( 4.863 3.381 -0.958) 6.000 3.510 ( -5.466 -5.481 1.968) 7.987 3.534 ( 1.060 1.002 2.315) 2.737 3.573 ( 1.554 2.326 0.122) 2.800 3.677 ( 1.870 -0.870 3.002) 3.642 3.784 ( -4.474 -7.878 2.107) 9.302 3.876 ( -1.496 -0.545 0.696) 1.738 3.965 ( -1.148 -3.211 1.620) 3.775 4.044 ( -1.549 -1.515 1.082) 2.422 4.180 ( -2.234 2.329 2.146) 3.875 4.213 ( -1.093 -1.481 -1.199) 2.197 4.292 ( -4.085 0.893 -2.562) 4.904 4.372 ( 3.845 2.985 -0.581) 4.903 4.532 ( 1.153 4.750 2.342) 5.420 4.653 ( 6.781 -1.149 -0.342) 6.886 4.695 ( 0.617 3.432 -2.026) 4.033 4.875 ( -4.335 -1.051 2.724) 5.227 4.924 ( 1.747 -1.711 -0.596) 2.516 4.935 ( 2.328 -1.303 -0.286) 2.683 5.076 ( 1.537 2.187 0.613) 2.743 5.200 ( 2.777 3.271 0.534) 4.324 5.264 ( -2.197 -1.646 3.697) 4.604 5.338 ( -2.071 -3.075 2.737) 4.608 5.383 ( -2.342 -2.362 2.571) 4.205 5.485 ( -3.631 -1.223 -0.476) 3.861 5.589 ( 1.945 -1.508 -3.738) 4.475 5.653 ( -0.520 1.966 -0.980) 2.258 5.657 ( -1.318 0.615 -2.292) 2.715 5.767 ( 0.926 -4.077 -3.107) 5.209 5.896 ( 0.345 5.553 2.187) 5.978 6.088 ( 1.331 0.297 2.875) 3.183 6.534 ( 2.243 2.736 1.045) 3.689 6.629 ( -7.727 -5.222 -5.235) 10.695 6.770 ( -0.578 -4.162 1.498) 4.461 6.810 ( 0.419 -0.856 3.191) 3.330 6.878 ( 0.020 -5.367 -0.322) 5.376 6.932 ( 0.202 5.172 -0.259) 5.182 7.022 ( -5.304 -3.068 -3.530) 7.071 7.198 ( -0.662 -2.437 -1.852) 3.131 7.289 ( -1.086 -5.716 1.699) 6.061 7.344 ( -1.403 5.027 1.569) 5.450 7.572 ( 4.864 2.885 10.761) 12.156 7.630 ( 8.578 12.418 -1.162) 15.138 8.152 ( -2.972 -3.227 -2.331) 4.968 8.233 ( 4.403 -9.938 3.034) 11.285 8.387 ( 0.196 6.076 -1.094) 6.177 8.558 ( -3.719 -6.529 4.680) 8.852 8.595 ( -10.668 2.429 6.846) 12.906 8.743 ( -2.050 2.167 5.186) 5.983 8.884 ( 3.321 -7.060 -1.887) 8.027 8.928 ( -1.994 2.657 -4.113) 5.287 9.043 ( -1.542 -2.455 -5.649) 6.350 9.226 ( 5.332 -2.431 -2.416) 6.339 9.259 ( -1.381 5.981 -5.126) 7.997 9.361 ( -2.068 -2.963 -7.507) 8.331 9.698 ( -3.586 8.096 -7.281) 11.464 9.878 ( 10.422 -0.178 2.130) 10.639 10.098 ( 7.065 1.198 8.228) 10.911 10.301 ( 1.901 1.490 -0.523) 2.471 10.487 ( -0.316 -0.229 -1.311) 1.368 10.616 ( 2.905 5.531 -5.218) 8.140 10.700 ( 3.238 3.996 -7.241) 8.882 10.890 ( -2.596 -1.001 -6.409) 6.987 11.022 ( -0.716 -1.050 -5.619) 5.761 11.339 ( -2.811 -4.570 2.436) 5.892 11.476 ( -1.071 -0.549 -2.488) 2.763 11.608 ( -5.416 -4.911 5.000) 8.857 11.888 ( -3.815 -4.876 -11.006) 12.628 12.087 ( 2.633 3.612 -7.786) 8.978 12.335 ( -0.013 0.489 -2.816) 2.858 12.693 ( 3.082 7.280 4.777) 9.237 12.980 ( 7.703 -2.498 2.022) 8.346 13.126 ( 3.139 6.532 8.671) 11.301 13.238 ( 0.110 0.160 3.219) 3.225 13.616 ( -9.248 -5.273 5.927) 12.184 13.782 ( -2.362 -0.185 -0.042) 2.370 13.871 ( -1.483 -3.910 -5.203) 6.675 14.083 ( 3.638 4.002 3.074) 6.221 14.310 ( -5.357 -5.769 0.287) 7.878 14.337 ( 2.406 -0.110 -0.116) 2.411 14.471 ( -0.450 0.806 -4.394) 4.490 14.576 ( 2.593 4.539 -5.067) 7.280 14.806 ( 0.318 0.638 1.392) 1.564 15.152 ( 1.190 -10.255 0.426) 10.333 15.431 ( 1.528 12.246 7.781) 14.589 15.990 ( -3.908 -4.894 6.776) 9.228 16.219 ( 3.094 2.924 12.608) 13.308 16.876 ( -3.114 -3.299 0.744) 4.597 17.062 ( -4.944 -4.389 -1.808) 6.853 17.214 ( -0.543 -1.383 -0.464) 1.557 17.527 ( 1.534 5.231 4.546) 7.098 17.641 ( -0.285 -3.733 7.029) 7.963 17.927 ( 1.470 0.707 3.246) 3.633 17.947 ( 1.117 2.043 3.780) 4.439 ======================= Grid point 20 (15/50) ======================= q-point: (-0.06 -0.06 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 0.000 -7.714) 7.714 1.454 ( -0.000 0.000 -32.052) 32.052 1.622 ( 0.000 0.000 -24.381) 24.381 1.770 ( 0.000 0.000 -4.661) 4.661 2.322 ( 0.000 0.000 -1.289) 1.289 2.342 ( 0.000 -0.000 1.423) 1.423 2.456 ( 0.000 0.000 -7.198) 7.198 2.472 ( 0.000 0.000 -2.192) 2.192 2.553 ( 0.000 0.000 -0.434) 0.434 2.629 ( 0.000 -0.000 -0.730) 0.730 2.637 ( -0.000 0.000 -7.295) 7.295 2.718 ( 0.000 0.000 -1.074) 1.074 2.800 ( 0.000 -0.000 -8.686) 8.686 2.837 ( -0.000 0.000 -9.990) 9.990 2.910 ( 0.000 -0.000 -3.275) 3.275 2.924 ( 0.000 0.000 0.618) 0.618 2.991 ( 0.000 0.000 0.794) 0.794 3.027 ( 0.000 0.000 -1.954) 1.954 3.064 ( 0.000 0.000 0.233) 0.233 3.245 ( 0.000 0.000 -0.093) 0.093 3.273 ( 0.000 0.000 3.243) 3.243 3.486 ( 0.000 0.000 3.086) 3.086 3.506 ( -0.000 0.000 -0.436) 0.436 3.620 ( 0.000 0.000 1.254) 1.254 3.677 ( 0.000 0.000 -0.258) 0.258 3.777 ( 0.000 0.000 5.236) 5.236 3.853 ( 0.000 0.000 -1.536) 1.536 3.968 ( 0.000 0.000 1.195) 1.195 4.019 ( 0.000 0.000 2.713) 2.713 4.190 ( 0.000 0.000 -1.771) 1.771 4.214 ( 0.000 0.000 2.153) 2.153 4.261 ( 0.000 0.000 -2.801) 2.801 4.459 ( 0.000 0.000 -0.520) 0.520 4.599 ( 0.000 0.000 1.485) 1.485 4.631 ( -0.000 0.000 0.193) 0.193 4.761 ( 0.000 0.000 -2.739) 2.739 4.799 ( 0.000 0.000 1.448) 1.448 4.910 ( 0.000 0.000 0.738) 0.738 5.020 ( 0.000 -0.000 0.706) 0.706 5.174 ( -0.000 0.000 3.276) 3.276 5.211 ( -0.000 -0.000 -0.801) 0.801 5.222 ( 0.000 0.000 -0.092) 0.092 5.248 ( 0.000 -0.000 2.050) 2.050 5.341 ( 0.000 0.000 3.281) 3.281 5.405 ( 0.000 0.000 1.943) 1.943 5.554 ( 0.000 0.000 -7.546) 7.546 5.673 ( 0.000 0.000 -0.580) 0.580 5.681 ( 0.000 0.000 -1.017) 1.017 5.734 ( 0.000 0.000 -5.670) 5.670 5.977 ( 0.000 0.000 3.919) 3.919 6.073 ( 0.000 0.000 0.153) 0.153 6.474 ( 0.000 0.000 0.507) 0.507 6.659 ( 0.000 0.000 0.737) 0.737 6.758 ( -0.000 -0.000 0.155) 0.155 6.759 ( 0.000 0.000 1.533) 1.533 6.784 ( 0.000 0.000 0.109) 0.109 6.946 ( 0.000 0.000 -0.376) 0.376 7.055 ( 0.000 -0.000 -1.786) 1.786 7.095 ( 0.000 0.000 -0.457) 0.457 7.221 ( 0.000 0.000 0.584) 0.584 7.390 ( 0.000 0.000 2.824) 2.824 7.627 ( 0.000 0.000 12.095) 12.095 8.000 ( 0.000 0.000 -1.199) 1.199 8.090 ( 0.000 -0.000 4.175) 4.175 8.209 ( 0.000 0.000 -8.072) 8.072 8.270 ( -0.000 0.000 -0.479) 0.479 8.477 ( 0.000 0.000 9.161) 9.161 8.562 ( 0.000 -0.000 -1.439) 1.439 8.647 ( 0.000 0.000 13.556) 13.556 8.830 ( 0.000 0.000 1.776) 1.776 8.940 ( 0.000 0.000 -5.538) 5.538 9.024 ( 0.000 0.000 -10.241) 10.241 9.254 ( 0.000 -0.000 -3.770) 3.770 9.295 ( -0.000 0.000 -8.403) 8.403 9.328 ( 0.000 -0.000 -12.464) 12.464 9.785 ( 0.000 0.000 1.248) 1.248 9.966 ( 0.000 0.000 1.252) 1.252 10.111 ( 0.000 0.000 -3.062) 3.062 10.421 ( 0.000 0.000 8.118) 8.118 10.624 ( 0.000 0.000 3.469) 3.469 10.636 ( -0.000 -0.000 -4.082) 4.082 10.781 ( 0.000 -0.000 -1.935) 1.935 10.817 ( 0.000 0.000 -8.504) 8.504 10.986 ( -0.000 0.000 -4.014) 4.014 11.328 ( 0.000 0.000 3.043) 3.043 11.414 ( -0.000 -0.000 -7.931) 7.931 11.432 ( 0.000 0.000 0.583) 0.583 11.812 ( 0.000 0.000 -9.155) 9.155 12.168 ( 0.000 0.000 -7.467) 7.467 12.334 ( 0.000 0.000 -3.741) 3.741 12.735 ( 0.000 0.000 -0.720) 0.720 13.154 ( 0.000 0.000 3.526) 3.526 13.221 ( 0.000 0.000 10.340) 10.340 13.273 ( -0.000 0.000 5.380) 5.380 13.349 ( -0.000 0.000 0.777) 0.777 13.781 ( 0.000 0.000 -2.111) 2.111 13.791 ( 0.000 -0.000 -1.150) 1.150 14.157 ( -0.000 0.000 -4.451) 4.451 14.194 ( 0.000 0.000 -3.059) 3.059 14.353 ( 0.000 0.000 3.703) 3.703 14.465 ( 0.000 0.000 -2.513) 2.513 14.706 ( 0.000 0.000 -2.755) 2.755 14.808 ( 0.000 0.000 1.500) 1.500 15.030 ( 0.000 0.000 -1.835) 1.835 15.616 ( 0.000 0.000 11.809) 11.809 15.889 ( 0.000 0.000 3.969) 3.969 16.296 ( 0.000 0.000 11.954) 11.954 16.820 ( 0.000 0.000 11.439) 11.439 16.953 ( 0.000 0.000 -4.160) 4.160 17.202 ( 0.000 0.000 0.630) 0.630 17.550 ( 0.000 0.000 6.130) 6.130 17.631 ( 0.000 0.000 5.718) 5.718 17.950 ( 0.000 0.000 2.421) 2.421 17.978 ( 0.000 0.000 3.718) 3.718 ======================= Grid point 23 (16/50) ======================= q-point: ( 0.18 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -3.853 19.521 15.844) 25.435 1.052 ( 2.324 39.388 14.782) 42.135 1.102 ( 0.386 14.405 40.477) 42.966 2.047 ( 0.348 -5.116 14.318) 15.208 2.128 ( 0.640 -0.949 2.133) 2.421 2.343 ( -0.289 -7.316 8.015) 10.856 2.388 ( -4.387 -6.628 3.296) 8.605 2.457 ( 2.952 -0.948 2.410) 3.927 2.529 ( 1.738 2.203 7.419) 7.931 2.647 ( -1.269 -4.431 0.124) 4.611 2.707 ( -1.383 6.192 2.302) 6.749 2.740 ( 0.111 6.364 5.373) 8.329 2.795 ( 3.834 -6.491 1.141) 7.624 2.908 ( -0.558 -0.405 0.457) 0.827 2.941 ( 0.585 0.236 0.904) 1.102 2.976 ( -0.278 -10.846 6.746) 12.776 3.060 ( -4.523 1.737 -0.804) 4.911 3.175 ( 2.190 5.405 -0.198) 5.836 3.239 ( 4.549 -2.322 3.568) 6.230 3.254 ( -4.589 0.121 3.457) 5.747 3.460 ( 0.337 -5.633 -2.444) 6.150 3.515 ( -0.004 -0.393 -2.156) 2.192 3.536 ( 0.825 5.245 -1.539) 5.528 3.571 ( -0.487 2.769 -0.509) 2.857 3.653 ( 0.517 2.034 -3.090) 3.735 3.859 ( -1.963 -1.791 -1.095) 2.874 3.892 ( 0.460 0.079 -0.670) 0.817 4.028 ( -4.139 -6.096 -1.828) 7.592 4.059 ( 0.534 -3.192 -1.867) 3.736 4.205 ( 1.674 -2.841 1.520) 3.631 4.252 ( -0.234 -1.349 -1.362) 1.931 4.290 ( 4.447 0.145 -1.632) 4.739 4.361 ( 7.292 -2.741 0.927) 7.845 4.406 ( -6.987 -0.794 0.060) 7.033 4.620 ( -2.451 3.615 0.484) 4.395 4.684 ( 0.611 3.249 1.037) 3.465 4.885 ( 0.736 -3.164 -1.832) 3.729 4.907 ( 0.233 2.445 0.748) 2.567 4.981 ( -5.149 -2.447 -0.082) 5.701 5.051 ( 4.858 1.347 -1.986) 5.418 5.148 ( -1.308 4.487 1.410) 4.882 5.315 ( 0.864 -1.724 -3.889) 4.341 5.335 ( -1.098 -2.061 -4.891) 5.420 5.395 ( 0.098 -5.876 -2.387) 6.343 5.511 ( 0.962 -1.547 5.442) 5.739 5.587 ( -1.289 3.475 -0.549) 3.747 5.643 ( 1.162 4.589 1.387) 4.932 5.683 ( 0.837 -3.684 3.196) 4.948 5.786 ( -4.505 -2.189 -0.359) 5.021 5.852 ( 4.117 2.202 0.001) 4.669 6.079 ( -0.358 2.636 -3.297) 4.236 6.506 ( 0.031 3.429 -0.884) 3.541 6.721 ( 2.161 -9.442 4.612) 10.729 6.788 ( -1.223 -0.508 -2.862) 3.154 6.811 ( -2.876 -2.143 -2.741) 4.514 6.859 ( 0.895 -1.103 1.543) 2.098 6.974 ( 0.178 1.404 -0.703) 1.581 7.084 ( 1.154 -8.209 4.618) 9.489 7.188 ( -1.301 -1.747 1.272) 2.522 7.264 ( -0.618 -0.066 -1.775) 1.881 7.416 ( 3.959 2.936 -3.677) 6.149 7.460 ( -2.745 9.388 -1.024) 9.835 7.543 ( 1.070 -2.575 -2.211) 3.559 8.163 ( -0.561 -7.645 -2.084) 7.944 8.249 ( -5.262 -2.794 -2.838) 6.599 8.412 ( 2.514 4.329 2.726) 5.701 8.594 ( 1.986 -4.871 -6.351) 8.247 8.664 ( -1.714 2.127 -7.849) 8.311 8.707 ( 6.688 0.081 1.771) 6.919 8.852 ( -4.254 -3.150 1.471) 5.494 8.965 ( 1.113 3.740 5.070) 6.398 9.115 ( 3.416 -2.688 1.357) 4.554 9.132 ( -5.484 -1.749 0.959) 5.835 9.266 ( 0.869 5.316 5.520) 7.713 9.402 ( -0.424 -3.595 2.462) 4.378 9.666 ( 6.508 -1.038 6.407) 9.192 9.829 ( -6.013 9.401 -0.152) 11.160 10.037 ( -1.584 5.641 -8.692) 10.483 10.287 ( -0.735 -1.345 1.051) 1.858 10.513 ( 1.515 3.364 6.428) 7.411 10.571 ( -0.951 -2.036 5.123) 5.594 10.655 ( 0.680 4.079 6.180) 7.436 10.900 ( 0.620 1.424 6.764) 6.940 11.029 ( -0.180 -1.662 5.912) 6.144 11.393 ( -0.303 -5.215 -0.504) 5.248 11.488 ( -0.071 1.592 0.111) 1.598 11.657 ( 0.267 -5.164 -4.306) 6.729 11.937 ( -0.667 -7.706 9.494) 12.246 12.049 ( 0.661 3.260 7.988) 8.653 12.344 ( 0.213 3.410 1.288) 3.651 12.608 ( 1.588 10.192 -7.265) 12.617 12.946 ( -4.362 -2.647 -1.043) 5.207 13.083 ( 1.846 8.896 -6.842) 11.374 13.237 ( 0.035 0.786 -2.169) 2.307 13.638 ( 1.185 -11.926 -6.835) 13.797 13.851 ( 1.792 0.912 4.237) 4.690 13.940 ( -2.142 -0.820 -3.101) 3.857 14.017 ( 1.191 6.559 -7.715) 10.196 14.295 ( -1.707 -0.332 7.264) 7.469 14.383 ( -1.805 -6.777 -0.823) 7.062 14.441 ( 2.818 -2.138 4.282) 5.554 14.550 ( 0.224 1.476 5.262) 5.469 14.795 ( 0.164 0.902 -2.378) 2.549 15.215 ( -8.035 -3.411 -4.756) 9.941 15.367 ( 7.681 8.931 -4.569) 12.635 16.048 ( -0.261 -6.964 -8.923) 11.322 16.192 ( -0.094 4.167 -12.800) 13.462 16.930 ( -0.217 -6.960 6.309) 9.397 17.103 ( 0.722 -4.725 -0.682) 4.829 17.216 ( -0.701 -5.307 2.349) 5.846 17.482 ( 1.069 7.409 -3.773) 8.383 17.673 ( -0.962 -1.840 -7.205) 7.498 17.886 ( -0.147 -1.241 -3.698) 3.903 17.954 ( 0.226 4.849 -3.681) 6.092 ======================= Grid point 24 (17/50) ======================= q-point: ( 0.18 -0.07 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 13.750 18.853 8.443) 24.815 1.362 ( 5.378 13.082 34.540) 37.323 1.780 ( -11.800 -6.503 20.535) 24.560 1.935 ( -11.777 -9.559 4.270) 15.758 2.104 ( 14.475 35.466 3.078) 38.430 2.270 ( 4.855 -4.061 1.239) 6.450 2.333 ( 9.132 -3.223 9.704) 13.710 2.432 ( 3.286 -3.156 0.664) 4.604 2.548 ( 0.423 -2.366 0.181) 2.410 2.593 ( 3.239 -7.512 8.437) 11.752 2.681 ( 2.103 -8.966 0.117) 9.210 2.758 ( -1.185 0.298 2.949) 3.192 2.820 ( -0.896 0.859 5.466) 5.606 2.843 ( -1.482 2.287 5.645) 6.269 2.948 ( 5.106 -1.607 0.746) 5.405 3.007 ( -2.360 4.119 1.621) 5.016 3.015 ( -7.120 3.497 -0.366) 7.941 3.038 ( -7.589 2.257 4.650) 9.182 3.196 ( -7.324 -13.453 -1.415) 15.383 3.302 ( -7.785 0.597 -1.023) 7.874 3.330 ( -9.724 -0.203 -2.604) 10.069 3.403 ( 7.350 -3.424 1.074) 8.179 3.539 ( -2.897 0.015 -2.688) 3.952 3.605 ( 4.312 -0.427 -2.339) 4.924 3.688 ( -3.101 7.511 -0.266) 8.130 3.802 ( -1.006 0.778 -2.633) 2.924 3.874 ( -1.883 1.096 0.765) 2.309 3.953 ( 0.380 0.074 -2.052) 2.088 4.016 ( 0.623 -0.656 -1.950) 2.149 4.182 ( 0.726 -0.725 1.654) 1.946 4.213 ( -0.442 -0.474 -1.850) 1.960 4.283 ( -2.144 -2.468 2.325) 4.012 4.409 ( 4.618 0.564 1.103) 4.781 4.570 ( 5.979 -0.121 -2.167) 6.361 4.617 ( 5.469 -2.472 0.135) 6.003 4.757 ( 0.484 2.871 3.200) 4.326 4.801 ( -4.698 -6.981 -2.251) 8.710 4.865 ( 3.157 -2.097 -0.510) 3.824 4.994 ( 2.522 1.627 -0.579) 3.057 5.040 ( 4.783 -1.701 0.603) 5.112 5.218 ( 2.314 -3.637 -1.973) 4.741 5.245 ( -1.958 -4.606 -0.258) 5.012 5.297 ( -2.345 3.920 -2.318) 5.122 5.333 ( 0.857 -1.567 -3.816) 4.213 5.464 ( -5.129 -1.477 -0.323) 5.347 5.541 ( 0.848 -2.461 5.909) 6.458 5.688 ( -0.218 1.712 0.716) 1.868 5.719 ( -2.412 3.120 1.346) 4.167 5.726 ( -0.247 0.936 4.116) 4.228 5.940 ( 3.593 -1.932 -2.507) 4.788 6.090 ( -1.495 0.482 -1.049) 1.889 6.550 ( -6.490 -0.665 1.007) 6.602 6.628 ( 2.147 5.150 -0.310) 5.588 6.719 ( 1.744 0.277 -1.394) 2.250 6.792 ( -2.332 -0.974 -1.113) 2.762 6.809 ( -1.260 -2.417 -0.665) 2.805 6.975 ( -0.976 -1.085 0.420) 1.518 7.008 ( 0.845 1.618 2.281) 2.921 7.118 ( -0.280 -5.545 0.576) 5.582 7.239 ( -1.665 0.633 -1.020) 2.053 7.408 ( -2.460 1.251 -2.107) 3.472 7.593 ( 4.080 0.343 -9.504) 10.348 7.854 ( 15.941 8.860 0.640) 18.249 8.012 ( 2.722 -7.732 2.516) 8.574 8.146 ( -2.365 -3.888 -3.780) 5.916 8.383 ( -2.594 -2.359 0.725) 3.580 8.481 ( -1.375 -6.413 -3.212) 7.303 8.655 ( -5.182 -1.403 -7.058) 8.867 8.736 ( -7.248 4.132 -6.861) 10.802 8.796 ( 3.183 -1.510 -1.395) 3.789 8.961 ( -3.058 2.289 3.730) 5.339 9.024 ( 0.340 -0.244 8.266) 8.276 9.196 ( 4.436 -0.538 3.880) 5.918 9.313 ( -1.529 -2.232 8.373) 8.800 9.357 ( -1.753 4.090 8.811) 9.871 9.832 ( 0.061 -0.609 -0.188) 0.640 9.912 ( 2.706 9.169 3.784) 10.282 10.024 ( 3.219 -5.372 -2.355) 6.691 10.393 ( 6.759 6.090 -2.762) 9.509 10.482 ( -0.660 -0.141 -0.710) 0.979 10.767 ( 2.040 7.072 2.736) 7.853 10.775 ( 4.420 4.273 9.256) 11.112 10.828 ( -6.577 -4.903 5.730) 10.007 10.994 ( 0.081 -1.842 3.931) 4.341 11.293 ( -1.678 0.247 -2.721) 3.207 11.457 ( -2.922 -4.754 0.239) 5.585 11.497 ( -3.594 -3.357 0.788) 4.981 11.808 ( 0.331 -2.767 9.076) 9.494 12.151 ( 0.879 3.608 6.584) 7.560 12.396 ( -4.613 5.932 4.777) 8.904 12.746 ( -1.774 -2.928 -0.189) 3.428 12.967 ( 13.573 1.776 -5.987) 14.941 13.215 ( 1.891 2.216 -7.115) 7.688 13.247 ( -0.866 1.151 -4.174) 4.416 13.463 ( -3.507 -8.392 -2.268) 9.374 13.774 ( -0.453 -5.667 5.177) 7.689 13.843 ( -5.219 1.903 -1.759) 5.827 14.141 ( 0.885 2.597 3.014) 4.076 14.230 ( -2.044 -3.198 5.525) 6.704 14.328 ( 2.563 0.529 -4.841) 5.503 14.457 ( 1.349 -0.871 3.361) 3.725 14.619 ( 5.627 -2.073 1.730) 6.241 14.812 ( 0.619 0.806 -1.538) 1.844 15.076 ( -5.123 2.223 -0.611) 5.618 15.646 ( -0.340 10.233 -7.842) 12.897 15.907 ( -2.606 -3.923 -5.868) 7.524 16.299 ( -0.399 5.666 -12.444) 13.680 16.840 ( -1.991 -0.924 -9.314) 9.569 16.975 ( -2.019 -3.803 3.283) 5.415 17.155 ( 4.276 -5.013 -1.358) 6.728 17.570 ( -0.221 -3.322 -6.773) 7.548 17.634 ( -1.808 5.659 -4.343) 7.360 17.892 ( 3.493 -2.817 -3.505) 5.694 18.022 ( -2.158 4.149 -2.850) 5.477 ======================= Grid point 25 (18/50) ======================= q-point: ( 0.18 -0.07 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -21.038 -11.674 7.953) 25.341 1.359 ( -12.951 -5.458 34.222) 36.996 1.772 ( 4.875 9.821 18.355) 21.380 1.818 ( 8.087 4.559 7.289) 11.803 2.103 ( -27.026 -7.539 2.728) 28.190 2.308 ( 1.481 -3.868 1.603) 4.442 2.405 ( 4.274 -11.194 7.822) 14.309 2.443 ( 1.017 -1.421 4.324) 4.664 2.509 ( 1.676 1.176 5.361) 5.739 2.585 ( 11.815 -5.638 1.737) 13.207 2.603 ( 1.963 -1.883 -0.375) 2.746 2.755 ( 3.387 2.389 -0.326) 4.158 2.826 ( 2.329 -0.901 8.838) 9.184 2.865 ( -3.017 1.125 5.504) 6.376 2.917 ( -1.308 -1.774 0.635) 2.294 3.006 ( -1.320 9.451 3.999) 10.347 3.016 ( -2.929 1.455 1.368) 3.545 3.107 ( -0.382 4.206 -0.452) 4.247 3.182 ( 9.629 9.955 -0.462) 13.858 3.247 ( -5.419 2.042 -0.758) 5.841 3.409 ( 3.653 -6.435 1.317) 7.516 3.440 ( 4.105 13.143 -2.370) 13.972 3.496 ( -0.038 0.948 -2.770) 2.928 3.660 ( -5.306 0.411 -3.855) 6.572 3.720 ( -1.389 5.433 -0.645) 5.645 3.752 ( -1.392 0.145 -1.355) 1.948 3.860 ( -0.334 1.478 -0.236) 1.533 3.966 ( -0.048 -0.493 -0.531) 0.726 4.020 ( 0.452 -0.830 -1.543) 1.810 4.155 ( 0.626 -4.962 -3.060) 5.863 4.198 ( 0.867 0.468 1.526) 1.817 4.237 ( 2.168 -1.890 2.535) 3.834 4.422 ( -1.047 -3.699 0.866) 3.941 4.521 ( 0.926 -7.973 -1.549) 8.175 4.644 ( 4.018 0.056 0.431) 4.041 4.765 ( -3.161 0.310 3.075) 4.421 4.794 ( 3.778 0.496 -2.061) 4.332 4.919 ( 3.307 0.706 -0.814) 3.478 4.985 ( -3.631 -1.953 0.215) 4.129 5.124 ( 9.142 -5.348 -1.599) 10.711 5.141 ( -0.248 -3.010 -0.812) 3.127 5.274 ( 3.382 2.192 0.462) 4.057 5.276 ( -3.010 1.613 -3.415) 4.830 5.335 ( 1.432 -0.214 -2.949) 3.285 5.438 ( 1.175 3.108 0.044) 3.323 5.573 ( 2.520 1.580 6.404) 7.061 5.668 ( -2.088 -0.622 0.651) 2.274 5.705 ( -5.126 2.589 0.893) 5.812 5.772 ( 0.864 3.712 4.185) 5.661 5.881 ( 1.529 -7.779 -2.510) 8.316 6.105 ( -0.133 1.542 -1.543) 2.185 6.511 ( 0.250 3.724 1.223) 3.928 6.637 ( -5.054 -1.916 -0.471) 5.425 6.764 ( -0.011 1.422 -2.243) 2.656 6.798 ( 1.469 1.282 -2.265) 2.989 6.850 ( 2.819 5.786 -0.215) 6.440 6.954 ( 1.252 1.999 2.212) 3.234 6.971 ( -2.401 -5.715 -0.561) 6.224 7.124 ( 5.479 0.840 2.851) 6.233 7.281 ( -0.797 4.860 -0.986) 5.022 7.360 ( -1.315 -1.832 -2.497) 3.365 7.599 ( -0.262 -3.003 -9.923) 10.371 7.795 ( -6.383 -14.678 1.767) 16.103 8.059 ( 5.353 -1.962 2.584) 6.260 8.314 ( 14.333 -1.383 -1.956) 14.532 8.326 ( -1.782 5.877 -0.453) 6.158 8.442 ( 2.418 -0.291 -4.484) 5.102 8.532 ( -3.872 4.391 -7.786) 9.742 8.704 ( -2.394 0.995 -5.848) 6.397 8.856 ( 3.000 2.151 -0.430) 3.717 8.974 ( -2.830 1.407 4.569) 5.555 9.033 ( -0.225 2.764 6.993) 7.523 9.219 ( 2.411 -5.743 4.272) 7.553 9.279 ( -0.360 1.932 5.715) 6.044 9.367 ( -2.517 2.020 10.519) 11.003 9.713 ( -4.560 -3.939 5.874) 8.415 9.960 ( 1.902 -2.658 -0.664) 3.335 10.186 ( -0.159 6.292 -2.681) 6.841 10.369 ( -5.567 -6.136 -6.629) 10.611 10.560 ( -6.545 -0.783 0.464) 6.608 10.607 ( 3.944 -5.969 2.538) 7.591 10.774 ( -4.436 0.014 4.025) 5.990 10.839 ( 0.160 1.745 9.496) 9.656 10.995 ( 1.841 0.328 4.910) 5.254 11.360 ( -3.779 1.440 -1.114) 4.195 11.429 ( 5.367 3.355 2.732) 6.894 11.478 ( 6.157 3.301 -1.305) 7.107 11.822 ( 2.642 0.561 9.671) 10.041 12.144 ( -3.965 -1.276 6.538) 7.752 12.384 ( -5.363 3.787 2.751) 7.119 12.705 ( 1.118 -1.812 -0.812) 2.279 13.061 ( 1.096 -9.252 -3.146) 9.834 13.205 ( -2.577 -0.810 -6.374) 6.922 13.265 ( -4.018 -0.981 -3.467) 5.397 13.398 ( 9.727 3.991 -5.064) 11.670 13.780 ( 2.015 3.108 -1.393) 3.957 13.826 ( 2.312 0.863 3.768) 4.504 14.151 ( -3.184 -1.298 5.955) 6.876 14.222 ( 2.990 3.020 3.372) 5.425 14.353 ( 0.073 0.435 -3.488) 3.516 14.451 ( 0.770 -3.101 1.593) 3.571 14.595 ( 1.395 -6.004 4.699) 7.751 14.806 ( -0.439 -0.732 -3.272) 3.382 15.169 ( 0.460 9.494 -0.714) 9.532 15.546 ( -11.219 -4.679 -7.705) 14.392 15.934 ( 2.667 3.256 -5.627) 7.027 16.302 ( -5.670 0.533 -12.912) 14.112 16.841 ( 0.896 2.143 -7.892) 8.227 16.977 ( 3.540 1.950 2.128) 4.567 17.158 ( 5.402 -4.202 -1.265) 6.960 17.526 ( 0.239 -0.761 -6.264) 6.314 17.678 ( -2.818 3.010 -5.230) 6.659 17.889 ( 3.015 -3.800 -3.320) 5.878 18.022 ( -4.238 2.153 -2.866) 5.551 ======================= Grid point 27 (19/50) ======================= q-point: ( 0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -2.584 11.990 16.728) 20.743 2.142 ( 4.742 17.969 8.168) 20.300 2.230 ( -0.769 6.794 2.575) 7.307 2.332 ( -1.713 -6.212 4.812) 8.043 2.405 ( -1.234 -0.077 -2.270) 2.585 2.473 ( 1.568 3.200 2.446) 4.322 2.593 ( -0.334 -5.308 11.415) 12.593 2.660 ( 2.222 -2.290 0.035) 3.191 2.748 ( 2.628 -4.272 10.680) 11.799 2.893 ( -1.761 -0.125 2.175) 2.801 2.923 ( 0.844 -2.459 9.833) 10.171 2.943 ( 0.905 -0.528 9.619) 9.676 2.999 ( -1.356 -2.470 0.451) 2.853 3.048 ( -2.430 -4.414 -2.795) 5.762 3.121 ( -0.490 -2.301 16.223) 16.393 3.149 ( -1.518 0.278 -0.755) 1.718 3.217 ( -1.725 3.026 0.685) 3.550 3.280 ( -1.444 1.566 5.760) 6.141 3.305 ( -0.084 2.012 7.503) 7.769 3.370 ( 5.590 -1.439 -0.757) 5.822 3.417 ( 0.804 1.562 4.961) 5.263 3.466 ( -0.732 -2.383 14.316) 14.531 3.481 ( -1.409 -0.789 11.700) 11.811 3.565 ( -0.201 1.088 -0.989) 1.484 3.747 ( -6.524 0.929 1.735) 6.815 3.797 ( 3.952 0.522 -1.964) 4.444 3.807 ( -3.528 -2.139 -0.503) 4.156 3.894 ( 5.084 -0.192 -1.910) 5.434 3.941 ( -5.940 0.972 0.370) 6.030 4.093 ( 12.868 -1.466 -3.424) 13.396 4.147 ( 0.615 -2.999 -3.831) 4.903 4.246 ( -3.009 1.669 1.439) 3.729 4.360 ( -1.462 -1.659 0.495) 2.266 4.441 ( 0.371 2.178 -2.868) 3.621 4.587 ( -0.793 -0.263 -2.760) 2.884 4.674 ( -0.873 -0.843 -5.161) 5.302 4.780 ( -0.331 -4.669 2.133) 5.144 4.933 ( 1.373 -3.387 -0.284) 3.666 4.936 ( -2.733 -2.863 -0.045) 3.958 5.041 ( 0.021 4.630 0.680) 4.680 5.133 ( 1.733 -1.517 -3.200) 3.942 5.156 ( -0.356 -0.676 -1.632) 1.802 5.178 ( 0.147 -0.420 -3.017) 3.049 5.235 ( -0.870 1.073 -7.372) 7.501 5.386 ( 1.087 -2.922 -7.578) 8.194 5.449 ( -1.970 -1.503 -8.191) 8.558 5.657 ( 1.331 1.216 -3.398) 3.846 5.825 ( -0.210 3.636 -3.577) 5.105 5.940 ( -0.546 -0.892 7.371) 7.445 5.973 ( -0.069 0.223 5.200) 5.205 6.007 ( 1.603 2.963 5.667) 6.593 6.507 ( 0.619 2.873 -2.837) 4.085 6.555 ( -1.505 -1.079 -4.507) 4.873 6.658 ( 2.137 -1.183 0.788) 2.567 6.705 ( -1.239 -0.516 -1.454) 1.978 6.823 ( -0.128 -4.407 -2.900) 5.277 6.909 ( 1.377 -4.996 -2.063) 5.578 7.033 ( 1.005 0.942 -1.544) 2.070 7.081 ( -3.599 -0.121 -2.667) 4.481 7.308 ( -2.002 2.128 0.871) 3.049 7.351 ( 1.740 4.176 1.487) 4.762 7.373 ( 0.339 3.606 -1.612) 3.965 7.754 ( -2.098 0.879 -1.700) 2.840 7.942 ( -0.550 1.368 0.417) 1.532 8.064 ( -0.701 1.257 -5.518) 5.702 8.200 ( 8.379 -10.179 -0.791) 13.208 8.482 ( -9.873 -5.774 1.507) 11.536 8.546 ( 2.613 -7.528 0.128) 7.970 8.742 ( 5.081 -0.491 2.899) 5.870 8.957 ( 1.519 1.736 -0.778) 2.434 9.049 ( -1.355 4.214 0.133) 4.429 9.197 ( -4.029 -3.740 2.417) 6.005 9.267 ( -2.519 1.423 7.218) 7.776 9.322 ( 6.669 -0.719 0.187) 6.711 9.576 ( -1.122 1.859 -1.618) 2.708 9.954 ( -1.169 6.986 4.800) 8.556 10.082 ( 0.679 7.716 1.753) 7.941 10.181 ( -9.754 7.727 12.315) 17.507 10.263 ( 2.853 -2.888 0.122) 4.061 10.576 ( 7.277 0.659 -4.646) 8.659 10.692 ( -3.679 0.604 -1.129) 3.896 10.924 ( 4.709 2.785 2.276) 5.925 11.107 ( 0.436 -4.959 -6.286) 8.018 11.263 ( -2.648 -5.643 6.259) 8.833 11.303 ( 0.900 -4.079 7.499) 8.584 11.677 ( 1.105 -5.068 6.490) 8.308 11.750 ( -3.667 3.102 12.594) 13.479 12.123 ( 0.479 -0.587 -7.615) 7.652 12.207 ( 0.422 13.672 -9.369) 16.580 12.307 ( 2.504 1.618 -1.867) 3.518 12.598 ( -0.336 6.742 3.546) 7.625 12.753 ( -4.449 -5.026 -2.087) 7.029 12.912 ( 2.682 -1.864 -14.388) 14.754 13.128 ( 1.955 4.348 -1.781) 5.089 13.265 ( -0.830 5.818 -0.967) 5.956 13.746 ( -2.906 0.807 -6.328) 7.010 13.792 ( -0.145 -3.067 -0.079) 3.071 13.982 ( 2.829 -2.110 -2.246) 4.184 14.251 ( -0.365 -5.083 2.428) 5.645 14.348 ( 0.825 -7.639 0.966) 7.744 14.529 ( -2.960 1.129 -0.498) 3.207 14.662 ( -0.071 -3.355 -1.044) 3.515 14.827 ( 3.010 3.156 4.429) 6.215 14.927 ( -1.345 1.408 -7.760) 8.001 15.206 ( -0.365 6.017 -10.486) 12.095 15.277 ( 0.452 -0.015 -21.226) 21.231 15.919 ( 0.410 8.251 -2.233) 8.558 16.923 ( 6.677 -4.596 0.009) 8.106 16.954 ( -10.069 -6.188 4.804) 12.757 17.168 ( 3.624 -2.513 -5.195) 6.815 17.463 ( -5.370 -4.171 1.145) 6.895 17.483 ( 5.542 -1.510 -1.447) 5.923 17.702 ( -0.749 -4.768 1.021) 4.934 17.947 ( 0.020 7.440 -1.937) 7.688 ======================= Grid point 28 (20/50) ======================= q-point: ( 0.42 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 6.249 11.995 11.687) 17.875 2.013 ( -9.835 -10.223 9.633) 17.147 2.237 ( 2.705 -1.130 0.408) 2.960 2.409 ( 6.470 -5.106 3.350) 8.897 2.469 ( -0.095 1.847 -1.499) 2.380 2.484 ( -0.520 -1.335 2.433) 2.823 2.570 ( 2.157 -3.497 -1.875) 4.517 2.697 ( 1.344 -2.637 10.314) 10.730 2.731 ( 2.029 -2.674 4.267) 5.429 2.900 ( 0.389 -0.683 14.124) 14.146 2.911 ( -3.349 1.519 9.920) 10.580 2.943 ( -2.777 1.001 3.852) 4.853 2.989 ( -2.385 3.947 1.413) 4.823 3.069 ( -5.357 1.815 4.668) 7.333 3.103 ( 1.954 -1.387 14.192) 14.393 3.140 ( -6.396 -0.330 -0.814) 6.456 3.221 ( 0.626 17.244 0.379) 17.260 3.228 ( 4.069 2.857 -1.439) 5.176 3.301 ( -2.426 1.479 5.397) 6.099 3.355 ( -2.248 -2.688 3.983) 5.305 3.362 ( -0.627 0.002 8.625) 8.648 3.426 ( 1.488 -0.933 16.909) 17.000 3.437 ( 0.972 -0.641 6.489) 6.593 3.614 ( -8.806 -0.159 1.653) 8.961 3.667 ( 4.775 2.967 -0.453) 5.640 3.783 ( -4.022 7.766 -1.101) 8.815 3.842 ( -3.201 -1.674 -2.507) 4.397 3.890 ( -0.680 -1.553 -1.798) 2.472 4.003 ( 1.519 4.525 0.391) 4.789 4.091 ( 2.136 -4.608 -4.442) 6.747 4.144 ( 0.159 -10.102 2.236) 10.348 4.300 ( 0.805 -2.938 2.347) 3.846 4.367 ( 11.508 -1.851 -3.004) 12.037 4.449 ( 0.574 -3.721 -1.913) 4.223 4.542 ( -1.025 -0.016 -4.298) 4.418 4.649 ( 3.297 1.017 -1.129) 3.630 4.714 ( 1.960 -3.163 -0.176) 3.725 4.846 ( 0.531 0.377 0.576) 0.869 4.948 ( 3.775 -4.265 1.131) 5.807 5.103 ( 0.592 -1.478 -5.543) 5.767 5.112 ( -0.027 0.107 4.913) 4.914 5.132 ( -2.885 2.872 -3.722) 5.516 5.218 ( -0.266 0.630 -2.316) 2.415 5.271 ( -0.617 0.832 -7.938) 8.006 5.313 ( -0.791 0.963 -5.461) 5.601 5.435 ( 3.396 -3.049 -9.237) 10.303 5.678 ( -2.284 1.581 -4.189) 5.026 5.834 ( 0.061 -0.084 -3.476) 3.478 5.954 ( -0.899 1.252 7.391) 7.550 5.972 ( 0.130 -0.003 6.623) 6.625 6.036 ( -2.352 1.063 3.833) 4.621 6.516 ( -3.909 3.087 -1.982) 5.361 6.596 ( 2.157 0.164 -4.349) 4.858 6.637 ( 1.668 -2.479 -2.812) 4.103 6.680 ( -0.554 -2.135 0.047) 2.206 6.756 ( 1.299 2.337 -2.239) 3.487 6.846 ( 1.015 -3.394 -2.641) 4.419 7.051 ( -3.217 1.997 0.810) 3.872 7.080 ( 1.411 1.462 -1.654) 2.619 7.325 ( -0.585 1.930 0.344) 2.045 7.365 ( -0.126 -1.492 -0.861) 1.727 7.458 ( -4.657 4.342 1.320) 6.503 7.798 ( 8.092 0.292 -8.278) 11.580 7.989 ( 0.186 -0.218 0.085) 0.299 8.066 ( -3.039 -3.854 -1.296) 5.076 8.133 ( -5.809 -1.338 1.208) 6.082 8.339 ( 8.054 -2.071 2.046) 8.564 8.429 ( 5.321 -5.633 3.905) 8.677 8.737 ( 6.327 -6.475 0.554) 9.070 8.949 ( -2.997 3.166 3.677) 5.703 9.098 ( -6.413 -0.281 0.715) 6.459 9.163 ( 2.318 6.588 -5.111) 8.654 9.254 ( 2.234 -4.222 3.560) 5.957 9.406 ( 1.354 -3.993 2.930) 5.134 9.586 ( 3.304 -2.391 3.501) 5.375 10.040 ( -3.942 5.802 4.345) 8.251 10.137 ( -0.876 3.030 6.738) 7.439 10.247 ( -6.299 6.010 -0.175) 8.708 10.293 ( 1.496 7.267 -2.362) 7.786 10.581 ( -3.584 -7.798 4.391) 9.640 10.752 ( -0.489 -0.848 -7.820) 7.881 10.877 ( -7.760 2.154 -0.754) 8.089 11.061 ( 0.467 5.987 1.908) 6.301 11.126 ( 5.554 -0.484 1.453) 5.761 11.280 ( 1.834 -5.835 4.154) 7.394 11.633 ( 4.378 -5.819 6.699) 9.894 11.773 ( 2.621 -0.065 14.546) 14.780 12.097 ( 2.434 -3.140 2.665) 4.784 12.351 ( -3.483 1.820 -0.873) 4.025 12.492 ( -3.393 1.976 -4.989) 6.349 12.549 ( -2.489 1.852 -7.304) 7.936 12.755 ( 1.215 8.504 -10.902) 13.880 12.914 ( -4.627 -2.125 -5.108) 7.212 13.115 ( -3.695 1.866 -4.493) 6.110 13.325 ( -1.464 3.170 -1.269) 3.716 13.764 ( 1.874 -4.752 0.253) 5.114 13.780 ( 6.357 1.234 -3.763) 7.490 13.941 ( -4.448 -0.860 -4.422) 6.331 14.212 ( -0.030 -0.077 -0.725) 0.729 14.238 ( 3.969 -3.187 3.126) 5.974 14.531 ( 0.902 1.580 2.224) 2.873 14.638 ( 2.947 -3.804 -2.463) 5.406 14.873 ( -3.837 0.613 4.107) 5.654 14.936 ( 0.836 1.687 -6.377) 6.649 15.269 ( -0.396 1.576 -13.586) 13.683 15.273 ( -0.825 -0.650 -21.377) 21.403 16.036 ( -4.713 4.134 -5.962) 8.651 16.764 ( -2.252 2.800 7.736) 8.530 16.988 ( 6.654 -3.770 -0.315) 7.655 17.145 ( 2.834 -6.591 3.964) 8.197 17.317 ( 2.692 -1.913 -0.472) 3.336 17.556 ( -2.681 1.709 -0.106) 3.181 17.644 ( 3.234 -2.230 -4.862) 6.251 18.019 ( -4.029 4.034 -1.016) 5.791 ======================= Grid point 31 (21/50) ======================= q-point: ( 0.42 -0.08 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -6.871 10.867 18.933) 22.886 1.815 ( -20.991 17.048 14.172) 30.531 2.204 ( 1.632 -2.077 3.925) 4.731 2.386 ( 0.068 2.663 1.072) 2.871 2.429 ( -1.244 -0.255 -0.479) 1.357 2.470 ( 0.533 -1.393 -0.567) 1.595 2.621 ( 0.281 -0.244 16.560) 16.564 2.676 ( 1.606 -3.564 4.365) 5.859 2.856 ( 3.414 -4.443 6.535) 8.608 2.914 ( -0.543 -0.587 1.643) 1.828 2.933 ( -0.576 -1.828 6.336) 6.620 2.978 ( -1.985 -4.302 7.952) 9.257 3.032 ( 5.850 4.541 2.388) 7.781 3.040 ( 1.319 3.963 6.099) 7.392 3.133 ( -0.032 -0.052 -3.221) 3.221 3.136 ( 1.542 -2.907 -0.581) 3.342 3.187 ( -0.066 3.527 7.256) 8.068 3.259 ( 1.411 -1.945 18.195) 18.353 3.331 ( 1.369 -0.354 -3.317) 3.606 3.369 ( -0.874 0.834 9.380) 9.458 3.442 ( -2.683 -6.202 -1.706) 6.969 3.463 ( 2.439 -3.512 1.405) 4.501 3.491 ( 2.311 -1.669 13.609) 13.904 3.587 ( 0.109 -0.040 8.649) 8.650 3.629 ( 9.283 -5.137 2.278) 10.851 3.725 ( 6.471 -2.658 -0.048) 6.996 3.820 ( -1.806 0.608 -0.280) 1.926 3.877 ( 1.371 -0.482 -3.350) 3.651 3.987 ( 0.925 1.564 -2.262) 2.901 4.130 ( -6.957 -0.105 0.279) 6.963 4.191 ( 0.273 -1.302 -3.344) 3.599 4.298 ( -4.960 3.067 -1.698) 6.074 4.379 ( 0.214 0.589 -0.583) 0.856 4.430 ( -1.618 1.011 -2.661) 3.274 4.597 ( -1.841 5.712 -2.805) 6.625 4.641 ( -0.831 0.511 -4.505) 4.609 4.799 ( 0.365 -0.571 0.380) 0.777 4.930 ( 1.963 -1.296 -0.974) 2.546 4.986 ( -2.182 1.801 -0.976) 2.993 5.010 ( 0.572 0.819 -1.757) 2.021 5.132 ( 1.151 -2.189 -1.296) 2.792 5.182 ( -0.249 -1.342 -4.307) 4.518 5.208 ( 0.395 2.560 -5.430) 6.016 5.253 ( 1.381 -2.315 -0.987) 2.871 5.370 ( 2.430 -4.003 -7.530) 8.867 5.503 ( 0.336 4.145 -9.737) 10.588 5.655 ( -1.298 -4.147 -5.883) 7.314 5.746 ( -0.916 3.455 0.917) 3.690 5.934 ( 0.181 -0.076 7.103) 7.105 5.976 ( -1.882 1.116 5.722) 6.126 5.984 ( 0.482 -1.157 4.048) 4.237 6.483 ( -1.058 0.617 -1.096) 1.643 6.589 ( 3.488 0.641 -1.991) 4.068 6.663 ( -2.313 -4.285 -3.735) 6.137 6.711 ( 1.590 0.458 -1.520) 2.247 6.804 ( 0.739 -0.515 -3.379) 3.497 6.990 ( 0.006 -2.983 0.491) 3.024 7.010 ( 4.063 -1.235 -2.079) 4.728 7.114 ( 3.486 -1.000 -5.085) 6.246 7.256 ( -0.811 2.309 2.839) 3.748 7.305 ( -1.728 2.781 -1.809) 3.741 7.356 ( -3.939 1.307 0.010) 4.150 7.738 ( -6.940 6.707 1.787) 9.815 8.013 ( -0.930 -2.810 -5.146) 5.936 8.105 ( 10.469 1.321 -3.515) 11.122 8.232 ( -2.551 -10.243 -2.549) 10.859 8.466 ( 6.898 1.116 -0.818) 7.036 8.630 ( -1.453 0.440 2.248) 2.713 8.785 ( 2.120 -10.523 2.328) 10.984 8.960 ( 2.558 -0.556 -4.451) 5.164 8.996 ( -5.952 5.927 4.517) 9.537 9.145 ( -0.117 5.581 2.906) 6.293 9.308 ( -2.733 5.373 4.640) 7.608 9.383 ( -6.883 -5.471 -2.408) 9.116 9.540 ( 0.204 8.525 1.322) 8.630 9.887 ( -4.035 -2.524 5.278) 7.106 9.953 ( 0.070 2.343 6.703) 7.101 10.111 ( -0.715 9.781 11.733) 15.291 10.403 ( 4.220 -4.993 4.903) 8.172 10.501 ( -0.743 -5.686 -5.203) 7.743 10.627 ( 2.490 3.607 -4.395) 6.207 10.941 ( -6.669 0.082 1.963) 6.952 11.144 ( 3.024 -5.159 -5.657) 8.232 11.220 ( 5.383 -6.116 6.403) 10.363 11.400 ( 3.788 -0.871 12.501) 13.091 11.726 ( -5.088 6.348 6.049) 10.137 11.749 ( -0.289 2.888 10.262) 10.665 12.001 ( -8.113 8.003 -25.977) 28.367 12.190 ( 1.147 -2.159 -0.806) 2.574 12.316 ( -2.056 -1.228 2.005) 3.123 12.529 ( 0.463 0.968 8.176) 8.246 12.810 ( 3.788 -1.424 -9.344) 10.183 12.980 ( -0.331 5.312 -1.230) 5.463 13.010 ( -6.073 -1.642 -7.352) 9.676 13.180 ( 2.717 -2.397 -2.797) 4.578 13.723 ( -0.650 1.840 -5.018) 5.384 13.869 ( 3.324 -0.173 -0.640) 3.390 13.981 ( -3.086 -0.979 -3.037) 4.439 14.314 ( 6.154 -5.426 2.553) 8.592 14.441 ( 0.677 -4.064 1.279) 4.314 14.521 ( 2.543 2.137 -0.032) 3.322 14.688 ( 0.929 0.974 -0.970) 1.659 14.802 ( -2.820 -0.681 1.225) 3.149 14.922 ( -0.649 0.360 -9.194) 9.224 15.108 ( -4.807 5.835 -3.287) 8.243 15.281 ( 0.054 -0.459 -22.035) 22.040 15.836 ( -3.874 3.541 -1.045) 5.352 16.905 ( 7.255 -7.997 2.174) 11.015 17.094 ( 2.929 3.098 -2.819) 5.112 17.262 ( -5.719 -6.568 -5.173) 10.130 17.323 ( 2.332 5.101 -5.004) 7.516 17.659 ( 4.170 -6.133 7.001) 10.199 17.774 ( 2.590 1.992 -0.902) 3.390 17.805 ( -3.312 0.510 -1.788) 3.799 ======================= Grid point 32 (22/50) ======================= q-point: (-0.35 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 1.195 -4.543 -17.921) 18.527 1.973 ( -1.201 -16.386 -14.945) 22.211 2.276 ( 1.137 2.538 -0.340) 2.802 2.330 ( -1.825 1.414 2.787) 3.619 2.406 ( 1.777 -2.577 3.245) 4.509 2.431 ( -1.378 -4.804 -1.083) 5.114 2.726 ( -0.947 1.329 7.182) 7.365 2.769 ( 0.570 5.862 0.081) 5.890 2.918 ( -0.642 7.014 -1.476) 7.196 2.985 ( -0.300 0.618 -2.879) 2.960 2.998 ( 1.210 -1.203 -1.236) 2.107 3.059 ( 0.855 -0.029 -5.897) 5.959 3.075 ( -0.515 -3.484 0.515) 3.560 3.110 ( 0.368 3.625 -1.678) 4.012 3.152 ( 1.577 -0.407 -2.068) 2.633 3.167 ( -1.218 0.934 -1.295) 2.008 3.219 ( 0.613 -0.833 1.950) 2.207 3.264 ( 2.135 2.293 2.041) 3.739 3.320 ( -0.650 5.203 0.256) 5.250 3.464 ( -5.552 1.715 0.267) 5.817 3.622 ( -0.834 5.934 -5.566) 8.179 3.659 ( 0.538 -2.146 -7.885) 8.189 3.769 ( 0.859 -0.370 -3.412) 3.538 3.786 ( 2.312 -0.542 -0.500) 2.427 3.789 ( 2.412 1.031 -3.027) 4.006 3.847 ( 0.948 0.974 -9.122) 9.222 3.880 ( -1.623 -0.571 -1.617) 2.361 3.886 ( 1.870 -2.263 -5.739) 6.446 3.984 ( 1.285 2.114 -11.346) 11.613 4.055 ( -9.278 2.173 0.605) 9.549 4.076 ( 2.370 1.492 6.494) 7.072 4.159 ( 1.287 -7.251 0.629) 7.391 4.336 ( -0.101 1.519 7.358) 7.513 4.348 ( -0.111 0.766 5.341) 5.397 4.521 ( 1.504 -2.789 0.896) 3.293 4.555 ( -0.517 -4.582 1.677) 4.906 4.793 ( -0.074 -2.715 1.415) 3.063 4.920 ( 0.817 -0.969 1.416) 1.900 4.954 ( -1.690 0.161 2.791) 3.267 4.954 ( 0.065 -1.265 0.058) 1.268 5.026 ( 0.646 -1.084 5.060) 5.215 5.080 ( 0.817 1.218 5.301) 5.500 5.102 ( -0.528 -0.753 4.556) 4.648 5.250 ( -1.705 6.821 2.331) 7.407 5.303 ( 2.306 1.656 5.111) 5.846 5.412 ( -0.227 0.571 -7.213) 7.239 5.541 ( -0.675 -0.089 8.759) 8.786 5.741 ( 0.196 -1.697 -1.744) 2.441 6.042 ( 0.115 -0.546 -3.170) 3.219 6.061 ( -0.335 -2.173 -3.844) 4.428 6.096 ( -0.010 1.589 -4.028) 4.330 6.459 ( -0.240 0.367 -0.132) 0.458 6.541 ( 1.413 4.389 2.652) 5.319 6.636 ( -2.056 -4.008 0.161) 4.507 6.700 ( 0.366 1.478 1.411) 2.076 6.762 ( -0.068 -1.190 3.229) 3.442 6.885 ( 1.179 -2.316 5.860) 6.410 7.048 ( -1.411 4.532 1.426) 4.956 7.075 ( 1.320 2.558 -0.990) 3.044 7.264 ( 0.409 -2.316 -1.068) 2.583 7.283 ( -0.423 -3.956 -0.608) 4.025 7.390 ( -0.040 -2.055 -7.244) 7.530 7.695 ( -0.425 0.328 2.162) 2.228 7.985 ( -0.764 6.016 0.723) 6.107 8.040 ( 2.146 3.928 1.506) 4.723 8.318 ( -8.065 6.941 3.155) 11.099 8.467 ( 9.589 -5.852 -0.860) 11.266 8.566 ( 3.266 -0.428 5.818) 6.686 8.740 ( -7.304 -11.186 6.251) 14.750 8.898 ( -2.100 6.540 -2.461) 7.296 9.076 ( 4.816 -1.231 -4.144) 6.471 9.180 ( -1.004 -7.769 -0.361) 7.842 9.302 ( -2.143 2.249 0.930) 3.242 9.384 ( 1.562 -5.244 2.203) 5.899 9.561 ( 0.746 -0.315 -16.420) 16.440 10.036 ( -1.309 7.132 -6.958) 10.050 10.174 ( -1.201 6.515 7.795) 10.230 10.189 ( -1.538 4.106 -4.641) 6.385 10.410 ( 6.699 -3.396 -3.261) 8.188 10.514 ( -3.245 -1.296 -5.630) 6.626 10.556 ( 3.393 -3.339 6.797) 8.298 10.902 ( -5.166 -5.591 -2.652) 8.060 11.011 ( 1.624 -10.694 4.224) 11.612 11.327 ( -5.303 7.680 9.943) 13.637 11.522 ( 6.984 3.241 1.435) 7.832 11.713 ( 1.260 -5.504 1.559) 5.857 11.772 ( -1.906 -1.609 -13.903) 14.125 11.915 ( 0.172 -2.940 -7.189) 7.769 12.207 ( -1.692 11.314 -1.269) 11.510 12.367 ( -0.754 5.763 -3.109) 6.591 12.631 ( -0.165 1.935 9.190) 9.393 12.725 ( 3.622 -1.694 -8.718) 9.591 12.872 ( -0.805 3.664 7.006) 7.947 12.999 ( -4.217 -2.673 3.210) 5.936 13.070 ( 2.901 -9.561 -0.320) 9.997 13.692 ( 0.023 -0.510 -4.302) 4.333 13.847 ( 1.873 2.761 3.607) 4.914 13.890 ( -1.747 -1.039 5.071) 5.463 14.305 ( -0.391 -0.932 5.105) 5.204 14.544 ( 0.312 4.516 -5.909) 7.444 14.574 ( -0.196 3.020 -6.052) 6.767 14.677 ( 0.999 1.371 3.931) 4.282 14.742 ( -0.739 0.643 4.860) 4.958 14.804 ( 0.500 -4.043 7.666) 8.681 14.886 ( -0.709 -4.200 8.349) 9.373 15.093 ( 0.111 0.087 -3.260) 3.263 15.838 ( 0.008 -2.207 -3.374) 4.032 16.974 ( -0.777 5.344 2.276) 5.860 17.075 ( 1.803 -0.571 1.010) 2.144 17.156 ( -0.594 5.212 0.924) 5.326 17.266 ( -0.559 -8.186 2.300) 8.521 17.583 ( 0.236 4.836 3.937) 6.240 17.725 ( -0.129 -8.744 4.072) 9.646 17.967 ( 0.032 7.118 -5.808) 9.187 ======================= Grid point 34 (23/50) ======================= q-point: (-0.35 -0.10 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 6.698 7.416 -11.624) 15.329 2.223 ( -0.800 -0.749 -3.767) 3.923 2.262 ( -1.874 1.613 2.802) 3.737 2.331 ( 2.315 0.246 3.059) 3.844 2.466 ( 1.672 6.071 -1.175) 6.406 2.561 ( -0.655 0.498 -5.111) 5.177 2.626 ( 7.906 2.510 -2.832) 8.765 2.726 ( -2.393 0.175 -2.343) 3.354 2.830 ( -6.612 1.518 4.896) 8.366 2.915 ( -4.322 1.194 2.678) 5.223 2.975 ( 0.468 -0.281 -3.699) 3.739 2.993 ( -1.030 -3.578 0.907) 3.833 3.045 ( 0.317 -0.942 -3.430) 3.571 3.090 ( -0.619 -0.511 -3.647) 3.734 3.136 ( -0.146 -2.666 -1.050) 2.869 3.177 ( -1.398 -1.838 2.467) 3.379 3.232 ( -1.371 -1.247 4.821) 5.164 3.287 ( 6.745 -4.902 0.340) 8.345 3.341 ( 1.682 -2.855 -0.485) 3.349 3.405 ( -2.523 -8.824 -0.715) 9.206 3.431 ( 0.570 3.271 -4.026) 5.219 3.626 ( -1.631 -1.402 -8.855) 9.113 3.686 ( -2.386 -4.808 -1.606) 5.603 3.724 ( 2.536 -3.524 -3.788) 5.762 3.789 ( -0.317 1.084 -5.575) 5.688 3.839 ( -0.569 0.301 -4.125) 4.175 3.865 ( 0.023 -0.048 -13.359) 13.359 3.894 ( -0.341 -1.092 -9.177) 9.248 3.979 ( -0.373 1.529 5.220) 5.452 4.054 ( 0.792 1.581 -7.301) 7.512 4.216 ( -0.669 9.484 -0.236) 9.510 4.279 ( -0.607 -0.317 7.068) 7.101 4.345 ( 1.554 2.164 7.729) 8.175 4.367 ( 2.040 4.821 1.255) 5.383 4.538 ( -2.832 -1.983 0.848) 3.560 4.618 ( 0.394 2.862 2.324) 3.707 4.793 ( -1.199 -2.738 0.508) 3.032 4.892 ( -1.787 -1.818 -1.405) 2.911 4.966 ( 1.549 -1.514 4.562) 5.050 5.007 ( 1.282 2.994 1.929) 3.785 5.037 ( 0.318 2.063 3.761) 4.302 5.093 ( -2.066 -1.548 0.671) 2.667 5.126 ( 1.268 0.877 5.186) 5.410 5.147 ( -0.819 3.814 1.234) 4.092 5.313 ( -2.166 1.279 7.454) 7.867 5.354 ( -0.501 -4.032 -6.946) 8.047 5.500 ( 1.562 -3.079 6.936) 7.748 5.775 ( 0.616 0.021 0.901) 1.092 6.058 ( 1.040 0.222 -2.584) 2.794 6.073 ( 0.013 0.058 -3.364) 3.364 6.076 ( 0.339 -1.277 -3.406) 3.653 6.456 ( 0.098 -2.109 0.465) 2.162 6.533 ( -0.387 5.241 2.284) 5.731 6.641 ( 0.783 -1.870 -0.980) 2.252 6.708 ( 0.062 0.965 1.435) 1.731 6.726 ( -1.646 -2.804 1.209) 3.469 6.892 ( -3.959 1.848 -0.265) 4.377 6.984 ( 2.696 -2.105 0.384) 3.442 7.038 ( -0.466 -2.383 2.834) 3.732 7.305 ( 0.435 0.908 0.824) 1.301 7.366 ( 0.588 2.988 -0.809) 3.151 7.464 ( 4.190 -1.194 -7.752) 8.892 7.653 ( -2.518 1.341 11.851) 12.190 7.987 ( 1.918 0.772 2.231) 3.042 8.014 ( -3.101 -3.984 0.950) 5.137 8.144 ( 1.317 3.225 -6.220) 7.129 8.466 ( -1.895 -1.746 1.129) 2.813 8.650 ( -7.250 3.527 -1.373) 8.178 8.794 ( -2.025 2.093 -2.437) 3.797 8.862 ( 10.468 -1.713 0.514) 10.619 9.085 ( -3.067 -6.117 2.641) 7.335 9.201 ( -1.336 1.500 -4.628) 5.045 9.362 ( -2.364 9.759 -1.165) 10.109 9.556 ( -5.018 2.714 -6.912) 8.962 9.595 ( 9.525 2.628 -1.130) 9.945 9.979 ( 4.555 -0.630 2.398) 5.186 10.044 ( -2.478 -2.868 5.006) 6.279 10.120 ( 2.124 -7.762 3.488) 8.771 10.369 ( -2.531 -2.838 0.878) 3.903 10.577 ( 0.204 7.305 -4.901) 8.799 10.719 ( 2.427 2.501 -3.100) 4.664 10.898 ( -2.053 -2.803 -4.103) 5.376 11.030 ( 4.783 -2.879 -0.221) 5.587 11.233 ( -2.003 -10.134 -1.977) 10.518 11.485 ( -14.076 12.506 -0.161) 18.829 11.743 ( 6.696 0.217 3.588) 7.600 11.911 ( 5.005 2.670 -2.983) 6.409 12.041 ( 4.010 0.051 5.346) 6.683 12.159 ( 8.792 5.206 1.163) 10.284 12.270 ( -3.840 0.030 -4.274) 5.746 12.469 ( -4.724 -9.829 5.407) 12.172 12.593 ( -2.424 -10.196 7.479) 12.875 12.932 ( -2.911 6.158 -2.510) 7.259 12.988 ( 1.962 -0.863 1.883) 2.853 13.264 ( 5.167 0.962 -1.421) 5.445 13.724 ( 1.571 1.410 0.299) 2.133 13.827 ( -3.239 -1.254 2.986) 4.581 13.846 ( 0.072 -0.855 2.391) 2.540 14.303 ( -2.277 2.977 -4.298) 5.703 14.486 ( -4.010 1.709 -7.978) 9.091 14.552 ( 1.827 0.119 -1.689) 2.491 14.626 ( -1.551 -3.398 2.644) 4.576 14.743 ( -0.459 1.560 3.452) 3.816 14.860 ( 1.018 0.045 16.431) 16.462 14.960 ( 4.183 -0.547 -4.496) 6.165 15.094 ( -1.108 0.817 5.978) 6.134 15.892 ( 2.186 0.276 0.983) 2.412 16.900 ( -0.235 -0.858 -5.081) 5.158 17.012 ( -4.009 -2.239 1.308) 4.774 17.108 ( 1.574 -1.489 6.130) 6.501 17.436 ( 3.700 4.592 -5.740) 8.230 17.548 ( -4.834 6.825 4.429) 9.464 17.762 ( -8.377 -4.439 -5.981) 11.210 17.860 ( 8.216 -3.705 3.780) 9.773 ======================= Grid point 35 (24/50) ======================= q-point: (-0.35 -0.10 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -7.493 -6.395 -13.795) 16.951 2.223 ( -2.125 1.027 1.802) 2.970 2.278 ( 0.623 2.699 -1.719) 3.260 2.336 ( 0.660 -2.661 3.847) 4.724 2.475 ( -3.975 -1.421 -2.200) 4.761 2.578 ( -3.035 -7.321 -5.044) 9.395 2.685 ( -3.439 0.431 3.681) 5.055 2.720 ( 1.265 3.173 -2.308) 4.123 2.815 ( -0.198 6.861 3.095) 7.530 2.886 ( -4.092 -0.150 2.040) 4.575 2.958 ( 2.669 -1.493 -0.848) 3.173 2.993 ( 0.743 0.305 -5.206) 5.267 3.077 ( 5.440 -1.231 0.564) 5.606 3.087 ( -0.112 0.648 -3.483) 3.545 3.124 ( -0.482 -0.801 -2.031) 2.236 3.141 ( 1.550 -1.655 -3.282) 3.988 3.193 ( 5.619 2.695 1.711) 6.463 3.276 ( 5.295 5.078 -0.725) 7.372 3.330 ( -1.850 2.219 0.572) 2.945 3.443 ( 7.306 -3.471 2.221) 8.388 3.505 ( -4.436 -2.430 1.586) 5.301 3.596 ( 7.453 0.841 -3.580) 8.311 3.679 ( 1.759 0.946 -14.282) 14.421 3.712 ( 3.100 -1.738 -2.736) 4.485 3.785 ( -0.531 0.995 -7.428) 7.513 3.830 ( -2.040 -0.161 -3.115) 3.727 3.861 ( -0.292 1.476 -1.403) 2.057 3.913 ( 3.313 -0.838 -16.108) 16.466 3.985 ( -2.023 -0.450 -1.207) 2.398 4.048 ( -1.149 -0.102 -1.923) 2.243 4.272 ( 1.590 1.554 8.151) 8.449 4.292 ( -10.027 -1.846 7.221) 12.493 4.312 ( -4.184 -0.946 -2.657) 5.046 4.353 ( -2.296 1.006 5.248) 5.816 4.547 ( 2.169 1.625 1.592) 3.144 4.600 ( -3.513 -0.870 0.295) 3.631 4.787 ( 2.470 1.189 0.306) 2.758 4.889 ( 1.066 3.874 -1.347) 4.238 4.956 ( 1.396 -4.686 3.498) 6.012 5.027 ( -1.332 -0.838 -1.121) 1.932 5.058 ( -0.667 0.845 5.513) 5.617 5.065 ( -1.749 0.574 4.955) 5.286 5.143 ( 0.609 -0.352 4.968) 5.017 5.168 ( -5.203 0.792 1.933) 5.606 5.238 ( 1.458 1.560 -0.475) 2.188 5.378 ( 2.054 0.864 -2.629) 3.446 5.521 ( 3.614 -1.031 8.349) 9.156 5.773 ( -0.146 -0.761 0.627) 0.997 6.051 ( -0.053 -0.643 -3.224) 3.288 6.070 ( -0.044 -0.027 -3.622) 3.622 6.092 ( 1.472 -0.626 -1.917) 2.496 6.461 ( 2.342 0.281 0.978) 2.553 6.522 ( -5.613 0.139 1.139) 5.729 6.664 ( 1.845 -3.262 0.657) 3.805 6.690 ( 1.233 1.896 1.085) 2.508 6.727 ( 1.063 2.470 0.285) 2.704 6.894 ( -2.040 2.377 0.316) 3.148 7.003 ( -0.094 0.783 2.198) 2.335 7.007 ( 3.865 -2.133 -0.250) 4.422 7.306 ( -0.984 -0.874 0.700) 1.490 7.379 ( -2.956 -0.053 0.850) 3.077 7.444 ( 0.908 -4.163 -8.721) 9.706 7.654 ( -1.243 3.684 10.460) 11.159 7.959 ( 0.009 0.542 -0.509) 0.744 8.007 ( 0.250 -2.352 0.412) 2.401 8.230 ( 3.569 3.334 1.647) 5.154 8.421 ( -1.656 -1.600 -2.680) 3.534 8.619 ( -5.835 2.991 -3.064) 7.238 8.813 ( 2.251 -1.777 0.652) 2.941 8.920 ( 2.412 1.060 1.948) 3.276 9.044 ( 1.466 2.759 1.208) 3.349 9.222 ( 1.131 1.812 -4.725) 5.186 9.367 ( -9.511 -4.402 -0.826) 10.513 9.508 ( -3.343 4.626 -3.896) 6.911 9.621 ( -2.879 -6.677 -4.880) 8.756 9.968 ( 2.177 -1.726 -1.289) 3.063 10.036 ( 2.229 1.892 10.075) 10.491 10.162 ( 9.570 2.715 3.777) 10.641 10.291 ( -3.446 -2.205 -6.788) 7.925 10.604 ( -2.455 -5.948 -0.287) 6.441 10.701 ( -4.538 -4.191 -5.016) 7.958 10.936 ( 2.295 5.311 0.158) 5.788 11.068 ( 7.031 2.130 0.374) 7.356 11.206 ( 4.615 7.754 -1.662) 9.175 11.470 ( -6.814 -0.755 -2.363) 7.252 11.813 ( -3.632 0.628 -0.762) 3.764 11.884 ( -1.847 -12.705 9.018) 15.690 11.967 ( -2.722 0.167 -6.862) 7.384 12.182 ( -2.761 -2.827 6.347) 7.477 12.328 ( -0.325 0.323 -2.411) 2.455 12.439 ( 9.875 4.648 2.862) 11.283 12.566 ( 8.717 1.553 6.419) 10.936 12.919 ( -4.138 1.394 -2.731) 5.150 13.044 ( 2.060 0.351 6.067) 6.417 13.234 ( -2.662 -5.654 -4.138) 7.495 13.722 ( -1.503 -1.678 -0.245) 2.266 13.779 ( -0.335 2.117 -0.530) 2.208 13.891 ( 2.298 1.037 6.169) 6.665 14.329 ( -2.239 2.541 -3.217) 4.671 14.475 ( -2.245 3.727 -9.439) 10.393 14.536 ( 0.120 -1.320 -0.825) 1.561 14.616 ( 2.356 0.819 1.588) 2.957 14.752 ( -1.195 0.808 3.565) 3.845 14.852 ( -0.067 -1.516 14.671) 14.750 14.984 ( 1.733 -4.337 -2.755) 5.422 15.084 ( -1.505 1.683 6.548) 6.927 15.892 ( -0.292 -2.186 1.033) 2.435 16.908 ( 1.179 0.700 -4.527) 4.730 16.999 ( 1.696 2.588 -0.903) 3.223 17.108 ( 1.285 -0.654 7.303) 7.444 17.439 ( -4.055 -2.645 -5.483) 7.315 17.558 ( -7.265 3.195 5.464) 9.635 17.752 ( 4.783 8.655 -6.762) 11.980 17.863 ( 3.663 -7.871 3.645) 9.416 ======================= Grid point 36 (25/50) ======================= q-point: (-0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -0.000 -0.000 -23.616) 23.616 0.939 ( -0.000 -0.000 -23.616) 23.616 1.925 ( -0.000 -0.000 -39.203) 39.203 2.207 ( -0.000 -0.000 -6.622) 6.622 2.327 ( -0.000 -0.000 -7.987) 7.987 2.433 ( 0.000 0.000 0.443) 0.443 2.433 ( 0.000 0.000 0.443) 0.443 2.735 ( -0.000 -0.000 -13.305) 13.305 2.735 ( -0.000 -0.000 -13.305) 13.305 2.765 ( -0.000 -0.000 -4.690) 4.690 2.828 ( -0.000 -0.000 -14.051) 14.051 2.859 ( -0.000 -0.000 -2.360) 2.360 2.859 ( -0.000 -0.000 -2.360) 2.360 2.862 ( -0.000 -0.000 -14.672) 14.672 3.031 ( 0.000 0.000 0.560) 0.560 3.031 ( 0.000 0.000 0.560) 0.560 3.109 ( -0.000 -0.000 -1.420) 1.420 3.210 ( -0.000 -0.000 -5.590) 5.590 3.341 ( 0.000 0.000 8.743) 8.743 3.366 ( -0.000 -0.000 -6.874) 6.874 3.366 ( -0.000 -0.000 -6.874) 6.874 3.475 ( 0.000 0.000 3.389) 3.389 3.532 ( 0.000 0.000 0.297) 0.297 3.532 ( 0.000 0.000 0.297) 0.297 3.583 ( -0.000 -0.000 -2.040) 2.040 3.840 ( 0.000 0.000 3.185) 3.185 3.861 ( 0.000 0.000 0.945) 0.945 4.045 ( 0.000 0.000 2.600) 2.600 4.055 ( 0.000 0.000 4.354) 4.354 4.223 ( 0.000 0.000 2.775) 2.775 4.223 ( 0.000 0.000 2.775) 2.775 4.276 ( 0.000 0.000 0.703) 0.703 4.397 ( 0.000 0.000 0.175) 0.175 4.397 ( 0.000 0.000 0.175) 0.175 4.550 ( 0.000 0.000 1.859) 1.859 4.627 ( 0.000 0.000 2.165) 2.165 4.846 ( 0.000 0.000 3.426) 3.426 4.919 ( -0.000 -0.000 -2.432) 2.432 5.014 ( 0.000 0.000 1.397) 1.397 5.014 ( 0.000 0.000 1.397) 1.397 5.170 ( -0.000 -0.000 -5.536) 5.536 5.277 ( 0.000 0.000 3.147) 3.147 5.277 ( 0.000 0.000 3.147) 3.147 5.333 ( 0.000 0.000 5.881) 5.881 5.590 ( 0.000 0.000 2.045) 2.045 5.590 ( 0.000 0.000 2.045) 2.045 5.609 ( -0.000 -0.000 -1.631) 1.631 5.757 ( 0.000 0.000 0.938) 0.938 5.825 ( -0.000 -0.000 -3.566) 3.566 5.825 ( -0.000 -0.000 -3.566) 3.566 5.981 ( 0.000 0.000 2.424) 2.424 6.463 ( 0.000 0.000 0.445) 0.445 6.713 ( 0.000 0.000 3.964) 3.964 6.713 ( 0.000 0.000 3.964) 3.964 6.891 ( 0.000 0.000 3.387) 3.387 6.891 ( 0.000 0.000 3.387) 3.387 6.945 ( -0.000 -0.000 -4.967) 4.967 7.062 ( 0.000 0.000 4.784) 4.784 7.255 ( 0.000 0.000 1.711) 1.711 7.255 ( 0.000 0.000 1.711) 1.711 7.299 ( 0.000 0.000 1.121) 1.121 7.300 ( 0.000 0.000 2.790) 2.790 7.575 ( 0.000 0.000 1.829) 1.829 8.262 ( 0.000 0.000 4.203) 4.203 8.262 ( 0.000 0.000 4.203) 4.203 8.312 ( -0.000 -0.000 -0.525) 0.525 8.445 ( 0.000 0.000 0.322) 0.322 8.744 ( -0.000 -0.000 -1.965) 1.965 8.744 ( -0.000 -0.000 -1.965) 1.965 8.924 ( -0.000 -0.000 -1.995) 1.995 9.003 ( -0.000 -0.000 -6.447) 6.447 9.099 ( 0.000 0.000 4.793) 4.793 9.099 ( 0.000 0.000 4.793) 4.793 9.375 ( -0.000 -0.000 -6.394) 6.394 9.418 ( 0.000 0.000 2.176) 2.176 9.740 ( -0.000 -0.000 -7.160) 7.160 9.740 ( -0.000 -0.000 -7.160) 7.160 9.861 ( 0.000 0.000 1.974) 1.974 10.365 ( -0.000 -0.000 -3.628) 3.628 10.590 ( -0.000 -0.000 -2.980) 2.980 10.748 ( -0.000 -0.000 -5.631) 5.631 10.748 ( -0.000 -0.000 -5.631) 5.631 10.993 ( -0.000 -0.000 -4.205) 4.205 11.208 ( -0.000 -0.000 -10.432) 10.432 11.498 ( -0.000 -0.000 -2.322) 2.322 11.498 ( -0.000 -0.000 -2.322) 2.322 11.657 ( 0.000 0.000 1.125) 1.125 12.175 ( -0.000 -0.000 -7.783) 7.783 12.175 ( -0.000 -0.000 -7.783) 7.783 12.257 ( 0.000 0.000 15.477) 15.477 12.311 ( -0.000 -0.000 -2.185) 2.185 12.956 ( 0.000 0.000 1.111) 1.111 12.956 ( 0.000 0.000 1.111) 1.111 13.223 ( -0.000 -0.000 -1.089) 1.089 13.280 ( 0.000 0.000 25.839) 25.839 13.856 ( 0.000 0.000 2.437) 2.437 13.917 ( 0.000 0.000 0.028) 0.028 13.917 ( 0.000 0.000 0.028) 0.028 14.490 ( -0.000 -0.000 -7.942) 7.942 14.503 ( -0.000 -0.000 -0.644) 0.644 14.503 ( -0.000 -0.000 -0.644) 0.644 14.596 ( -0.000 -0.000 -6.244) 6.244 14.712 ( 0.000 0.000 2.676) 2.676 15.100 ( 0.000 0.000 10.176) 10.176 15.100 ( 0.000 0.000 10.176) 10.176 15.739 ( 0.000 0.000 21.976) 21.976 15.887 ( 0.000 0.000 12.148) 12.148 17.118 ( 0.000 0.000 1.588) 1.588 17.118 ( 0.000 0.000 1.588) 1.588 17.336 ( 0.000 0.000 1.627) 1.627 17.499 ( 0.000 0.000 12.094) 12.094 17.598 ( -0.000 -0.000 -17.704) 17.704 17.807 ( 0.000 0.000 4.956) 4.956 17.807 ( 0.000 0.000 4.956) 4.956 ======================= Grid point 37 (26/50) ======================= q-point: (-0.11 -0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 14.876 9.900 -17.903) 25.294 1.555 ( 23.304 27.714 -11.727) 38.061 1.987 ( 3.149 3.321 -35.549) 35.843 2.149 ( -5.085 -3.125 -7.500) 9.585 2.304 ( 0.016 -2.380 -11.341) 11.588 2.418 ( -2.216 -0.789 -4.868) 5.407 2.458 ( 0.009 -1.895 -1.136) 2.209 2.587 ( -5.138 -1.893 -6.269) 8.323 2.643 ( 1.053 -4.825 -9.528) 10.732 2.762 ( 0.226 2.233 -8.443) 8.737 2.801 ( -1.043 1.735 -10.814) 11.002 2.864 ( -7.274 3.269 -4.235) 9.030 2.893 ( 0.412 -3.271 -1.207) 3.511 2.941 ( 2.798 1.446 -8.788) 9.336 3.007 ( 2.268 1.226 -3.678) 4.492 3.037 ( 4.855 -3.340 -1.407) 6.059 3.122 ( -2.103 -3.905 -7.914) 9.072 3.196 ( 0.845 2.923 -1.892) 3.583 3.220 ( -6.595 -3.391 -11.423) 13.619 3.303 ( -3.613 -6.080 5.647) 9.050 3.433 ( -0.400 -0.183 -1.315) 1.387 3.440 ( 0.704 0.847 5.694) 5.799 3.489 ( -2.821 -2.485 1.104) 3.918 3.549 ( -1.421 3.860 1.939) 4.547 3.637 ( 0.746 -3.925 0.984) 4.115 3.742 ( -3.983 -9.272 1.883) 10.265 3.846 ( -1.464 0.994 1.985) 2.659 3.931 ( 0.156 -2.391 1.968) 3.101 4.022 ( -0.130 -1.679 1.360) 2.165 4.133 ( -2.398 4.629 1.417) 5.402 4.230 ( -0.909 -1.406 0.216) 1.688 4.318 ( -2.059 2.586 0.067) 3.307 4.378 ( 2.883 1.970 -0.183) 3.497 4.481 ( 1.641 3.703 2.656) 4.844 4.646 ( 8.084 -0.189 1.518) 8.227 4.701 ( -0.929 2.788 1.216) 3.180 4.816 ( -2.429 -1.293 2.584) 3.775 4.938 ( -0.163 -2.639 0.002) 2.644 4.958 ( 1.280 1.075 -2.353) 2.887 5.053 ( 2.434 0.471 1.979) 3.172 5.180 ( -3.491 -0.730 3.326) 4.877 5.229 ( 0.940 1.099 -0.567) 1.553 5.273 ( 0.973 -1.804 3.031) 3.659 5.310 ( -1.983 -0.968 3.785) 4.381 5.475 ( -4.957 -2.923 2.649) 6.335 5.634 ( 3.541 0.761 2.251) 4.265 5.691 ( 1.644 0.990 -3.437) 3.936 5.726 ( -1.309 -0.228 -2.250) 2.614 5.820 ( -0.500 0.598 -1.510) 1.700 5.871 ( 0.685 1.875 -3.404) 3.946 6.000 ( 0.625 0.619 4.734) 4.815 6.508 ( 1.687 2.034 1.395) 2.988 6.639 ( -3.996 -4.070 2.500) 6.227 6.730 ( -2.614 -2.159 2.802) 4.398 6.750 ( 0.560 -0.611 2.471) 2.606 6.864 ( -1.044 -2.490 2.154) 3.454 6.954 ( -0.311 3.078 -1.990) 3.678 7.048 ( -3.994 -4.219 0.719) 5.853 7.210 ( -0.367 -2.487 2.066) 3.254 7.232 ( 0.862 -3.291 2.290) 4.101 7.345 ( -2.099 3.827 -1.206) 4.528 7.388 ( 3.250 1.316 6.678) 7.542 7.681 ( 8.503 10.118 -3.096) 13.575 8.113 ( -2.923 1.949 4.309) 5.560 8.187 ( 6.351 -12.609 3.681) 14.590 8.320 ( -6.153 4.742 5.669) 9.617 8.483 ( -4.025 -6.770 1.906) 8.103 8.573 ( -5.012 0.293 -2.797) 5.747 8.730 ( -8.285 1.505 -2.345) 8.742 8.900 ( 2.207 -7.668 -1.311) 8.086 9.040 ( 0.972 1.324 -5.011) 5.274 9.142 ( 6.118 2.302 6.188) 9.001 9.182 ( 1.332 3.591 -7.182) 8.140 9.399 ( -1.486 3.198 -4.430) 5.662 9.473 ( 1.976 0.269 -4.094) 4.553 9.811 ( 4.497 0.741 -3.794) 5.931 9.858 ( 2.896 7.950 -2.393) 8.793 9.985 ( 11.173 2.241 1.349) 11.475 10.323 ( -3.188 -1.023 -2.566) 4.218 10.524 ( -3.605 -1.646 -1.334) 4.182 10.676 ( 1.701 0.106 -0.607) 1.809 10.855 ( 0.821 5.689 -6.697) 8.825 11.055 ( -2.759 -2.114 -9.336) 9.962 11.176 ( -1.095 -2.373 -9.813) 10.155 11.277 ( -4.987 -5.807 5.706) 9.548 11.573 ( 3.546 2.268 -7.135) 8.284 11.592 ( -3.656 -3.388 -4.744) 6.882 12.094 ( -1.891 -3.729 -8.563) 9.529 12.224 ( 2.092 3.036 -5.774) 6.851 12.404 ( 0.814 3.133 -4.123) 5.242 12.497 ( 8.499 9.705 16.808) 21.188 12.923 ( 2.320 -5.076 3.903) 6.810 13.013 ( 3.458 4.627 3.488) 6.748 13.197 ( -2.241 -1.454 0.687) 2.758 13.329 ( -2.673 2.435 19.928) 20.254 13.779 ( -0.733 -1.230 0.288) 1.460 13.934 ( 3.022 2.373 6.826) 7.833 13.982 ( -0.452 0.282 -3.458) 3.499 14.279 ( -4.537 -7.720 -0.097) 8.955 14.414 ( -4.569 -0.324 -3.037) 5.496 14.527 ( 0.093 -4.273 -0.161) 4.277 14.658 ( 2.777 3.135 -3.812) 5.663 14.787 ( 1.503 3.299 0.439) 3.651 15.107 ( 2.919 -3.416 5.227) 6.893 15.230 ( 1.637 7.758 10.588) 13.228 15.704 ( -1.127 -1.144 19.757) 19.822 15.951 ( 3.520 3.709 11.439) 12.530 16.879 ( -8.686 -9.543 -0.512) 12.914 17.112 ( 0.547 -1.532 -0.744) 1.789 17.339 ( -7.423 -2.001 -5.146) 9.251 17.450 ( -3.856 0.486 -2.482) 4.612 17.473 ( 3.168 -3.771 8.775) 10.062 17.854 ( 4.035 -0.817 4.915) 6.411 17.861 ( -0.400 4.234 3.412) 5.452 ======================= Grid point 38 (27/50) ======================= q-point: (-0.11 -0.11 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 0.000 0.000 -12.871) 12.871 1.892 ( 0.000 0.000 -8.112) 8.112 2.146 ( -0.000 -0.000 -24.095) 24.095 2.154 ( 0.000 0.000 -33.759) 33.759 2.324 ( 0.000 -0.000 -0.137) 0.137 2.366 ( 0.000 0.000 -3.240) 3.240 2.501 ( 0.000 0.000 -0.336) 0.336 2.593 ( 0.000 0.000 -6.086) 6.086 2.627 ( 0.000 0.000 -8.618) 8.618 2.669 ( -0.000 -0.000 -3.486) 3.486 2.769 ( 0.000 0.000 -5.365) 5.365 2.858 ( 0.000 0.000 -12.057) 12.057 2.923 ( 0.000 0.000 -2.788) 2.788 2.957 ( 0.000 0.000 -0.976) 0.976 2.986 ( -0.000 0.000 -5.936) 5.936 3.027 ( 0.000 -0.000 -5.885) 5.885 3.042 ( -0.000 0.000 -2.613) 2.613 3.088 ( 0.000 0.000 -5.885) 5.885 3.106 ( -0.000 0.000 -10.425) 10.425 3.191 ( 0.000 0.000 2.725) 2.725 3.276 ( 0.000 0.000 -4.019) 4.019 3.406 ( 0.000 0.000 4.567) 4.567 3.507 ( -0.000 0.000 0.986) 0.986 3.585 ( 0.000 0.000 2.291) 2.291 3.625 ( 0.000 -0.000 8.866) 8.866 3.677 ( 0.000 0.000 0.197) 0.197 3.897 ( 0.000 -0.000 -2.897) 2.897 3.937 ( 0.000 0.000 2.740) 2.740 3.962 ( 0.000 0.000 2.992) 2.992 4.198 ( 0.000 0.000 -1.235) 1.235 4.210 ( 0.000 0.000 0.439) 0.439 4.302 ( 0.000 0.000 -1.537) 1.537 4.458 ( 0.000 0.000 0.697) 0.697 4.565 ( 0.000 0.000 1.816) 1.816 4.617 ( -0.000 0.000 2.101) 2.101 4.733 ( 0.000 0.000 1.564) 1.564 4.795 ( 0.000 0.000 2.035) 2.035 4.895 ( 0.000 0.000 0.667) 0.667 5.018 ( 0.000 0.000 -1.602) 1.602 5.090 ( 0.000 0.000 4.795) 4.795 5.183 ( 0.000 0.000 3.188) 3.188 5.228 ( 0.000 -0.000 0.940) 0.940 5.261 ( 0.000 0.000 4.348) 4.348 5.269 ( 0.000 0.000 -2.641) 2.641 5.360 ( 0.000 0.000 3.210) 3.210 5.686 ( 0.000 0.000 1.201) 1.201 5.705 ( 0.000 -0.000 -4.738) 4.738 5.716 ( -0.000 0.000 -3.902) 3.902 5.827 ( 0.000 -0.000 0.005) 0.005 5.902 ( 0.000 0.000 -2.092) 2.092 6.004 ( 0.000 0.000 5.579) 5.579 6.460 ( 0.000 0.000 0.901) 0.901 6.647 ( 0.000 0.000 0.288) 0.288 6.705 ( 0.000 0.000 3.547) 3.547 6.749 ( -0.000 -0.000 0.611) 0.611 6.783 ( 0.000 0.000 0.656) 0.656 6.937 ( 0.000 0.000 1.289) 1.289 7.052 ( 0.000 0.000 5.049) 5.049 7.087 ( -0.000 -0.000 -0.836) 0.836 7.225 ( 0.000 0.000 -1.411) 1.411 7.364 ( 0.000 0.000 -1.094) 1.094 7.455 ( 0.000 0.000 5.737) 5.737 8.018 ( -0.000 -0.000 -1.523) 1.523 8.018 ( 0.000 0.000 3.118) 3.118 8.160 ( -0.000 0.000 9.552) 9.552 8.298 ( 0.000 0.000 12.000) 12.000 8.361 ( 0.000 0.000 -6.663) 6.663 8.510 ( -0.000 0.000 -1.491) 1.491 8.600 ( 0.000 0.000 -2.774) 2.774 8.851 ( 0.000 0.000 -3.757) 3.757 9.036 ( 0.000 0.000 -2.025) 2.025 9.236 ( 0.000 0.000 -11.156) 11.156 9.260 ( 0.000 0.000 2.027) 2.027 9.411 ( 0.000 0.000 -4.908) 4.908 9.487 ( 0.000 0.000 -0.960) 0.960 9.885 ( -0.000 0.000 -12.108) 12.108 9.936 ( 0.000 0.000 1.541) 1.541 10.199 ( -0.000 0.000 -5.527) 5.527 10.254 ( 0.000 -0.000 8.171) 8.171 10.574 ( 0.000 0.000 0.443) 0.443 10.691 ( -0.000 -0.000 -0.793) 0.793 10.804 ( 0.000 0.000 0.546) 0.546 10.951 ( 0.000 0.000 -4.049) 4.049 11.143 ( 0.000 0.000 -11.639) 11.639 11.221 ( 0.000 0.000 6.838) 6.838 11.518 ( 0.000 0.000 -9.170) 9.170 11.633 ( 0.000 0.000 -13.492) 13.492 12.025 ( 0.000 0.000 -10.953) 10.953 12.301 ( 0.000 0.000 -4.876) 4.876 12.407 ( -0.000 0.000 -2.900) 2.900 12.748 ( 0.000 0.000 -0.269) 0.269 12.884 ( 0.000 -0.000 23.973) 23.973 13.110 ( 0.000 0.000 1.320) 1.320 13.156 ( -0.000 0.000 5.115) 5.115 13.258 ( -0.000 0.000 8.905) 8.905 13.827 ( 0.000 0.000 -2.822) 2.822 13.852 ( 0.000 0.000 -4.174) 4.174 14.102 ( 0.000 0.000 13.990) 13.990 14.196 ( 0.000 0.000 0.607) 0.607 14.297 ( 0.000 0.000 0.591) 0.591 14.474 ( 0.000 0.000 -1.516) 1.516 14.769 ( 0.000 0.000 -3.537) 3.537 14.798 ( 0.000 0.000 1.674) 1.674 15.086 ( 0.000 0.000 0.715) 0.715 15.327 ( 0.000 0.000 12.474) 12.474 15.687 ( 0.000 0.000 17.542) 17.542 16.071 ( 0.000 0.000 8.693) 8.693 16.654 ( 0.000 0.000 2.710) 2.710 17.088 ( 0.000 0.000 -7.443) 7.443 17.228 ( 0.000 0.000 -3.187) 3.187 17.416 ( 0.000 0.000 4.954) 4.954 17.487 ( 0.000 0.000 8.483) 8.483 17.885 ( 0.000 0.000 5.385) 5.385 17.904 ( 0.000 0.000 2.101) 2.101 ======================= Grid point 41 (28/50) ======================= q-point: ( 0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 0.031 23.597 -0.000) 23.597 0.506 ( -5.346 27.269 -0.000) 27.788 0.961 ( 3.065 51.247 -0.000) 51.339 1.888 ( 0.448 -7.577 0.000) 7.591 2.109 ( 0.639 -0.975 0.000) 1.166 2.226 ( -2.205 -8.887 0.000) 9.157 2.393 ( -1.396 -10.356 0.000) 10.450 2.418 ( 2.454 5.887 -0.000) 6.378 2.467 ( 1.067 -0.752 0.000) 1.305 2.652 ( -1.659 -4.674 0.000) 4.960 2.655 ( -0.512 9.171 -0.000) 9.185 2.709 ( -1.194 6.838 -0.000) 6.942 2.794 ( 5.135 -7.678 0.000) 9.236 2.901 ( -0.225 -13.697 0.000) 13.699 2.909 ( -0.659 1.529 -0.000) 1.665 2.937 ( 0.461 -1.459 0.000) 1.530 3.076 ( -5.178 1.577 -0.000) 5.413 3.177 ( 2.221 5.741 -0.000) 6.155 3.202 ( 1.953 -2.352 0.000) 3.057 3.215 ( -2.039 0.368 -0.000) 2.072 3.484 ( 1.173 -6.621 0.000) 6.724 3.532 ( 0.046 10.881 -0.000) 10.881 3.539 ( 0.236 -0.278 0.000) 0.365 3.579 ( -0.219 1.517 -0.000) 1.533 3.703 ( 0.120 0.035 0.000) 0.125 3.870 ( -1.362 -1.157 -0.000) 1.788 3.898 ( 0.088 -0.778 0.000) 0.783 4.045 ( -2.308 -4.979 0.000) 5.488 4.087 ( -0.816 -3.726 0.000) 3.814 4.152 ( -0.276 -0.607 0.000) 0.667 4.268 ( 2.147 -1.080 0.000) 2.404 4.308 ( -1.803 2.639 -0.000) 3.196 4.347 ( 15.801 -5.735 0.000) 16.810 4.416 ( -10.805 -5.159 -0.000) 11.974 4.606 ( -0.239 4.450 -0.000) 4.457 4.673 ( -1.263 0.166 -0.000) 1.274 4.897 ( 0.193 2.818 -0.000) 2.825 4.907 ( -0.133 -3.599 0.000) 3.602 4.989 ( -4.104 -2.379 -0.000) 4.743 5.089 ( 5.426 3.554 0.000) 6.486 5.142 ( -1.940 5.464 -0.000) 5.798 5.379 ( -0.315 -5.460 0.000) 5.469 5.390 ( -1.066 -0.762 -0.000) 1.310 5.415 ( 0.481 -1.796 0.000) 1.860 5.439 ( 1.178 -6.731 0.000) 6.834 5.623 ( 0.803 -5.550 0.000) 5.608 5.631 ( 0.278 3.586 -0.000) 3.597 5.648 ( 1.062 4.546 -0.000) 4.668 5.787 ( -6.486 -2.751 -0.000) 7.045 5.851 ( 6.124 1.777 0.000) 6.377 6.098 ( -0.558 2.114 -0.000) 2.186 6.518 ( -0.171 3.868 -0.000) 3.872 6.534 ( 0.972 -4.012 0.000) 4.128 6.807 ( -0.906 -1.070 0.000) 1.402 6.830 ( -1.902 2.260 -0.000) 2.954 6.884 ( -2.375 -5.771 0.000) 6.241 6.947 ( 1.609 -1.308 0.000) 2.074 7.000 ( 1.725 2.276 -0.000) 2.856 7.188 ( 0.360 -4.136 0.000) 4.152 7.285 ( -0.553 -0.590 0.000) 0.808 7.432 ( 0.801 11.306 -0.000) 11.335 7.460 ( 1.185 2.508 -0.000) 2.774 7.621 ( -1.781 -0.885 -0.000) 1.989 8.163 ( 1.411 -8.780 0.000) 8.893 8.291 ( -3.423 0.253 -0.000) 3.433 8.381 ( -0.436 2.350 -0.000) 2.390 8.667 ( -0.674 -0.386 -0.000) 0.777 8.690 ( 4.401 -1.700 0.000) 4.718 8.861 ( 0.357 -0.799 0.000) 0.875 8.870 ( -1.998 0.825 -0.000) 2.162 8.921 ( 0.196 -8.406 0.000) 8.408 9.101 ( 1.664 -1.974 0.000) 2.582 9.126 ( -2.031 -0.186 -0.000) 2.040 9.184 ( 5.083 -0.767 0.000) 5.140 9.280 ( 0.551 1.059 -0.000) 1.193 9.513 ( 3.544 4.477 -0.000) 5.710 9.831 ( -8.834 6.761 -0.000) 11.124 10.163 ( -0.319 9.180 -0.000) 9.186 10.263 ( -4.236 -2.453 -0.000) 4.895 10.416 ( 3.352 2.403 0.000) 4.124 10.534 ( -0.517 -0.125 -0.000) 0.531 10.589 ( 0.357 5.309 -0.000) 5.321 10.835 ( 0.322 0.000 0.000) 0.322 10.970 ( -0.123 -1.436 0.000) 1.442 11.423 ( 1.043 -4.989 0.000) 5.097 11.492 ( -0.912 1.051 -0.000) 1.392 11.738 ( -0.057 -1.257 0.000) 1.258 11.811 ( 1.091 -12.567 0.000) 12.615 11.926 ( 0.071 4.933 -0.000) 4.934 12.328 ( -0.408 1.511 -0.000) 1.565 12.692 ( 2.994 7.060 -0.000) 7.669 12.955 ( -5.291 -2.408 -0.000) 5.813 13.266 ( 0.011 0.912 -0.000) 0.912 13.333 ( -0.001 0.367 -0.000) 0.367 13.580 ( 3.418 -6.762 0.000) 7.576 13.785 ( 2.898 -0.909 0.000) 3.037 13.968 ( -7.867 -0.816 -0.000) 7.909 14.023 ( 1.679 -0.336 0.000) 1.712 14.190 ( 3.574 0.007 0.000) 3.574 14.410 ( -0.193 -0.521 0.000) 0.556 14.413 ( 0.192 -0.322 0.000) 0.375 14.478 ( 0.248 -2.919 0.000) 2.929 14.813 ( -0.066 1.181 -0.000) 1.183 15.242 ( -13.647 1.777 -0.000) 13.763 15.401 ( 13.009 7.337 0.000) 14.936 16.043 ( 0.202 -0.677 0.000) 0.707 16.331 ( -0.409 5.058 -0.000) 5.075 16.898 ( 0.096 0.717 -0.000) 0.723 17.122 ( 0.449 -4.264 0.000) 4.287 17.254 ( -0.467 -6.762 0.000) 6.778 17.552 ( 0.714 6.218 -0.000) 6.259 17.749 ( -0.912 -2.655 0.000) 2.807 17.926 ( -0.433 -1.335 0.000) 1.404 18.000 ( 0.444 4.064 -0.000) 4.089 ======================= Grid point 42 (29/50) ======================= q-point: ( 0.12 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 8.223 19.978 -0.000) 21.604 1.115 ( 14.519 21.124 -0.000) 25.632 1.549 ( -15.258 -9.793 -0.000) 18.131 1.893 ( -11.664 -9.230 -0.000) 14.875 2.079 ( 15.258 37.650 -0.000) 40.625 2.223 ( 12.410 -4.208 0.000) 13.104 2.261 ( 4.962 -3.337 0.000) 5.980 2.434 ( 2.458 -4.005 0.000) 4.700 2.498 ( 2.420 -7.515 0.000) 7.895 2.550 ( 2.651 -5.675 0.000) 6.264 2.686 ( 1.158 -8.073 0.000) 8.156 2.704 ( -0.447 0.196 -0.000) 0.488 2.780 ( -2.857 3.216 -0.000) 4.302 2.790 ( -1.901 0.855 -0.000) 2.085 2.938 ( 3.883 -1.035 0.000) 4.019 2.973 ( -9.831 2.419 -0.000) 10.124 3.011 ( -0.529 2.546 -0.000) 2.601 3.023 ( -5.855 5.704 -0.000) 8.174 3.211 ( -7.424 -12.448 0.000) 14.494 3.313 ( -10.887 -1.999 -0.000) 11.069 3.361 ( -8.075 1.347 -0.000) 8.186 3.388 ( 9.199 -3.324 0.000) 9.781 3.564 ( -2.379 0.310 -0.000) 2.400 3.633 ( 2.662 -1.471 0.000) 3.041 3.688 ( -3.144 8.305 -0.000) 8.880 3.828 ( 0.198 0.027 0.000) 0.200 3.864 ( -2.656 0.021 -0.000) 2.656 3.978 ( 0.145 0.603 -0.000) 0.620 4.044 ( 1.255 0.172 0.000) 1.266 4.153 ( 0.879 -0.039 0.000) 0.880 4.235 ( -1.346 -1.619 0.000) 2.105 4.254 ( -1.709 -1.459 -0.000) 2.247 4.392 ( 5.097 0.104 0.000) 5.098 4.593 ( 4.626 -0.490 0.000) 4.652 4.623 ( 6.684 -3.452 0.000) 7.523 4.697 ( 0.153 3.994 -0.000) 3.997 4.825 ( -2.957 -6.405 0.000) 7.055 4.879 ( 2.356 -3.192 0.000) 3.967 5.005 ( 1.587 5.298 -0.000) 5.531 5.028 ( 6.173 -6.198 0.000) 8.748 5.236 ( -1.918 -5.714 0.000) 6.028 5.254 ( 1.338 -3.427 0.000) 3.679 5.337 ( -2.473 4.644 -0.000) 5.262 5.387 ( -0.474 0.425 -0.000) 0.637 5.442 ( 1.860 -2.063 0.000) 2.778 5.481 ( -3.667 -5.603 0.000) 6.696 5.666 ( -0.667 -1.104 0.000) 1.290 5.687 ( -2.131 3.374 -0.000) 3.991 5.717 ( -2.596 3.924 -0.000) 4.705 5.966 ( 4.907 -2.153 0.000) 5.358 6.077 ( -2.285 -0.218 -0.000) 2.296 6.522 ( -3.097 2.916 -0.000) 4.254 6.636 ( 2.032 5.906 -0.000) 6.245 6.734 ( 0.290 -0.465 0.000) 0.548 6.794 ( -1.196 -1.237 0.000) 1.721 6.825 ( -2.548 -1.477 -0.000) 2.945 6.968 ( -3.220 -1.108 -0.000) 3.405 6.979 ( 3.421 1.779 0.000) 3.855 7.114 ( -0.574 -4.514 0.000) 4.550 7.251 ( -1.938 0.108 -0.000) 1.941 7.433 ( -2.177 1.317 -0.000) 2.545 7.729 ( 10.202 -3.849 0.000) 10.904 7.833 ( 17.694 8.244 0.000) 19.520 7.965 ( -3.620 -5.787 0.000) 6.826 8.225 ( 0.165 -8.244 0.000) 8.246 8.336 ( -8.826 5.649 -0.000) 10.479 8.500 ( 0.546 -9.187 0.000) 9.203 8.782 ( -6.587 4.460 -0.000) 7.955 8.853 ( 2.440 -3.949 0.000) 4.642 8.866 ( -2.697 5.758 -0.000) 6.358 8.880 ( 1.270 1.776 -0.000) 2.184 8.986 ( -10.358 -3.439 -0.000) 10.914 9.087 ( -1.236 0.830 -0.000) 1.489 9.105 ( 2.662 -1.661 0.000) 3.138 9.298 ( -2.165 1.675 -0.000) 2.738 9.829 ( 7.542 -4.109 0.000) 8.589 9.873 ( 2.472 15.183 -0.000) 15.383 10.051 ( -0.794 -10.169 0.000) 10.200 10.423 ( 9.274 7.415 0.000) 11.874 10.526 ( -0.199 0.526 -0.000) 0.563 10.643 ( 6.503 5.835 0.000) 8.737 10.725 ( 2.132 4.089 -0.000) 4.612 10.765 ( -4.416 -5.300 0.000) 6.898 10.955 ( 0.455 -0.533 0.000) 0.701 11.361 ( -1.275 -0.146 -0.000) 1.283 11.445 ( -4.885 0.598 -0.000) 4.922 11.489 ( -5.990 -11.169 0.000) 12.673 11.718 ( 0.352 -0.529 0.000) 0.635 12.066 ( 0.665 5.679 -0.000) 5.718 12.341 ( -4.440 5.294 -0.000) 6.910 12.746 ( -2.709 -3.729 0.000) 4.610 13.025 ( 13.823 1.785 0.000) 13.938 13.299 ( 1.640 0.626 0.000) 1.756 13.332 ( -0.163 -0.764 0.000) 0.781 13.449 ( -6.224 -5.777 -0.000) 8.492 13.714 ( 2.277 -3.952 0.000) 4.561 13.861 ( -6.558 2.769 -0.000) 7.119 14.078 ( 2.237 2.519 -0.000) 3.369 14.138 ( 1.425 -9.573 0.000) 9.678 14.396 ( -0.203 -0.333 0.000) 0.390 14.407 ( -0.005 -0.324 0.000) 0.324 14.588 ( 6.934 1.536 0.000) 7.102 14.845 ( -0.172 2.007 -0.000) 2.015 15.086 ( -7.065 2.546 -0.000) 7.510 15.716 ( 3.359 9.438 -0.000) 10.018 15.962 ( -4.218 -3.806 -0.000) 5.682 16.434 ( -0.757 5.657 -0.000) 5.707 16.921 ( -0.289 1.476 -0.000) 1.504 16.986 ( -2.867 -3.791 0.000) 4.753 17.188 ( 3.401 -4.333 0.000) 5.508 17.643 ( -1.011 -3.531 0.000) 3.673 17.682 ( -0.673 5.209 -0.000) 5.253 17.930 ( 3.217 -2.747 0.000) 4.230 18.054 ( -2.046 3.665 -0.000) 4.198 ======================= Grid point 43 (30/50) ======================= q-point: ( 0.12 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -20.036 -8.263 -0.000) 21.673 1.206 ( -23.195 -12.010 -0.000) 26.120 1.543 ( 9.837 14.684 -0.000) 17.674 1.769 ( 6.482 2.688 0.000) 7.017 2.080 ( -30.083 -8.441 -0.000) 31.244 2.296 ( 4.633 -15.558 0.000) 16.233 2.298 ( 1.791 -3.345 0.000) 3.794 2.397 ( 5.202 1.815 0.000) 5.509 2.471 ( 0.800 -1.158 0.000) 1.407 2.571 ( 14.806 -7.962 0.000) 16.811 2.619 ( -1.154 0.913 -0.000) 1.471 2.722 ( 1.312 -0.456 0.000) 1.389 2.763 ( 3.155 2.636 0.000) 4.111 2.804 ( -2.489 2.620 -0.000) 3.614 2.915 ( -1.315 -2.690 0.000) 2.994 2.964 ( -2.749 10.363 -0.000) 10.721 3.004 ( -3.024 0.945 -0.000) 3.168 3.114 ( 0.494 4.799 -0.000) 4.824 3.192 ( 8.836 9.338 -0.000) 12.856 3.256 ( -5.009 3.651 -0.000) 6.199 3.393 ( 3.410 -9.016 0.000) 9.639 3.467 ( 3.931 14.023 -0.000) 14.563 3.525 ( 0.567 0.590 -0.000) 0.818 3.690 ( -8.484 3.260 -0.000) 9.089 3.726 ( -0.445 5.964 -0.000) 5.981 3.773 ( 1.471 -2.667 0.000) 3.046 3.860 ( -0.053 2.557 -0.000) 2.557 3.972 ( -0.058 -1.753 0.000) 1.754 4.049 ( -0.141 -1.154 0.000) 1.163 4.165 ( 0.026 -0.576 0.000) 0.577 4.195 ( 1.064 -4.289 0.000) 4.419 4.203 ( 1.660 -0.434 0.000) 1.715 4.409 ( -0.076 -3.792 0.000) 3.793 4.539 ( 0.912 -9.172 0.000) 9.217 4.640 ( 4.192 -0.114 0.000) 4.193 4.712 ( -4.214 0.424 -0.000) 4.235 4.819 ( 5.463 0.679 0.000) 5.505 4.930 ( 3.268 0.697 0.000) 3.341 4.980 ( -3.965 -2.171 -0.000) 4.520 5.139 ( 11.646 -5.024 0.000) 12.684 5.166 ( -1.658 -3.272 0.000) 3.668 5.264 ( 4.323 2.580 0.000) 5.034 5.335 ( -4.647 2.830 -0.000) 5.441 5.354 ( 0.992 -0.349 0.000) 1.052 5.448 ( 1.680 -1.183 0.000) 2.054 5.484 ( 4.182 2.817 0.000) 5.042 5.670 ( -3.016 0.922 -0.000) 3.154 5.702 ( -4.839 2.418 -0.000) 5.410 5.717 ( 1.650 5.224 -0.000) 5.479 5.902 ( 1.426 -8.302 0.000) 8.423 6.101 ( 0.826 1.983 -0.000) 2.148 6.488 ( -2.653 1.313 -0.000) 2.960 6.644 ( -6.009 -1.948 -0.000) 6.317 6.783 ( -0.281 1.607 -0.000) 1.631 6.837 ( 2.359 4.643 -0.000) 5.208 6.841 ( 2.048 4.181 -0.000) 4.656 6.924 ( 0.704 1.208 -0.000) 1.398 6.977 ( -3.265 -5.500 0.000) 6.396 7.093 ( 5.296 0.581 0.000) 5.327 7.293 ( -0.313 4.860 -0.000) 4.870 7.388 ( -0.856 -1.645 0.000) 1.854 7.759 ( 4.144 -8.625 0.000) 9.569 7.764 ( -4.610 -14.998 0.000) 15.690 7.996 ( 1.990 -0.563 0.000) 2.068 8.312 ( 12.158 2.947 0.000) 12.510 8.341 ( -6.041 9.760 -0.000) 11.479 8.475 ( 7.183 -3.279 0.000) 7.896 8.678 ( -8.060 4.771 -0.000) 9.367 8.829 ( 1.375 -2.996 0.000) 3.297 8.855 ( 1.724 -0.763 0.000) 1.885 8.926 ( -3.486 4.345 -0.000) 5.570 8.993 ( 1.607 7.627 -0.000) 7.794 9.071 ( -0.994 -0.269 -0.000) 1.029 9.137 ( 1.766 -0.551 0.000) 1.850 9.281 ( -2.069 1.627 -0.000) 2.632 9.671 ( -5.192 -8.346 0.000) 9.830 9.959 ( 4.149 -3.538 0.000) 5.453 10.242 ( 1.280 12.850 -0.000) 12.914 10.430 ( -6.386 -7.464 0.000) 9.823 10.561 ( -3.244 -1.332 -0.000) 3.507 10.570 ( -5.253 -14.173 0.000) 15.116 10.726 ( -4.734 -2.147 -0.000) 5.199 10.736 ( 7.211 4.520 0.000) 8.511 10.945 ( 1.296 -0.445 0.000) 1.370 11.350 ( -1.265 1.148 -0.000) 1.708 11.454 ( 0.641 4.713 -0.000) 4.756 11.477 ( 10.454 5.486 0.000) 11.806 11.723 ( 0.383 -0.066 0.000) 0.388 12.064 ( -5.991 -0.386 -0.000) 6.003 12.350 ( -4.891 4.581 -0.000) 6.701 12.711 ( 2.375 -0.364 0.000) 2.403 13.090 ( 1.194 -11.149 0.000) 11.212 13.298 ( -0.620 -1.657 0.000) 1.769 13.332 ( 0.758 0.160 0.000) 0.775 13.403 ( 3.652 5.575 -0.000) 6.664 13.779 ( -1.431 -1.655 0.000) 2.187 13.800 ( 4.520 5.537 -0.000) 7.147 14.031 ( 0.772 -3.215 0.000) 3.306 14.192 ( 4.484 0.992 0.000) 4.592 14.398 ( 0.331 0.406 -0.000) 0.523 14.405 ( 0.327 -0.194 0.000) 0.380 14.553 ( -1.887 -7.676 0.000) 7.905 14.849 ( -1.773 0.030 -0.000) 1.773 15.177 ( -0.174 12.009 -0.000) 12.011 15.625 ( -10.324 -8.213 -0.000) 13.192 15.974 ( 2.571 3.807 -0.000) 4.594 16.445 ( -5.709 1.333 -0.000) 5.862 16.911 ( -0.894 0.090 -0.000) 0.899 16.996 ( 3.079 3.028 0.000) 4.318 17.188 ( 4.560 -3.409 0.000) 5.693 17.595 ( 0.185 -0.644 0.000) 0.670 17.734 ( -1.996 2.765 -0.000) 3.410 17.926 ( 3.010 -3.638 0.000) 4.722 18.054 ( -3.756 2.040 -0.000) 4.275 ======================= Grid point 45 (31/50) ======================= q-point: ( 0.36 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -3.389 17.269 14.917) 23.070 1.966 ( 5.093 25.123 11.550) 28.116 2.076 ( 0.472 12.523 30.564) 33.033 2.168 ( 2.673 3.140 5.462) 6.844 2.249 ( -5.935 -8.180 4.855) 11.212 2.377 ( 2.015 0.232 14.027) 14.173 2.416 ( -2.562 -3.210 1.099) 4.252 2.523 ( -0.178 -6.594 13.168) 14.728 2.617 ( 3.752 -8.650 4.031) 10.255 2.647 ( -3.949 -4.704 13.369) 14.713 2.738 ( 4.165 -1.338 6.694) 7.996 2.795 ( 1.878 -2.411 5.565) 6.349 2.885 ( 0.066 -0.415 0.984) 1.070 2.972 ( -1.049 1.958 5.864) 6.271 3.044 ( -0.988 -2.451 4.624) 5.326 3.057 ( -1.264 1.685 9.249) 9.486 3.127 ( -2.709 3.387 4.506) 6.254 3.222 ( -2.207 -6.698 -1.720) 7.258 3.261 ( 4.764 2.697 -1.054) 5.575 3.291 ( 2.479 -1.893 3.583) 4.750 3.340 ( -3.632 -0.452 3.747) 5.238 3.440 ( -1.344 -0.254 -7.051) 7.182 3.472 ( 2.839 2.895 -2.874) 4.970 3.594 ( -2.026 1.357 -1.423) 2.823 3.737 ( -3.647 4.923 -0.018) 6.127 3.814 ( -5.848 -1.282 -0.692) 6.027 3.850 ( 2.247 -0.392 -2.669) 3.511 3.936 ( -0.839 0.533 -2.167) 2.384 3.952 ( 2.314 -3.465 -1.181) 4.331 4.151 ( 12.487 -0.943 -2.229) 12.719 4.199 ( 1.742 -3.765 -1.754) 4.504 4.228 ( -2.135 -0.205 0.174) 2.152 4.349 ( -2.871 -2.168 0.468) 3.628 4.446 ( 0.226 1.539 1.736) 2.331 4.625 ( -2.243 -1.543 -0.492) 2.767 4.756 ( 0.132 0.162 -1.387) 1.402 4.777 ( 0.454 -3.420 -3.546) 4.947 4.936 ( -5.474 -4.480 0.096) 7.074 4.948 ( 2.970 -4.507 -0.640) 5.436 4.998 ( -1.141 2.951 1.439) 3.476 5.164 ( 1.788 -1.555 -0.138) 2.374 5.228 ( 1.070 0.456 -3.883) 4.053 5.238 ( -1.187 -1.890 -3.219) 3.917 5.304 ( -0.360 1.702 -0.406) 1.786 5.518 ( 3.913 -2.727 -3.167) 5.725 5.564 ( -4.580 -2.398 -3.631) 6.317 5.683 ( 0.088 1.588 0.178) 1.601 5.790 ( -0.197 3.261 4.058) 5.210 5.821 ( 0.824 0.602 6.383) 6.464 5.892 ( 1.539 -0.483 3.042) 3.443 6.017 ( -0.210 2.213 -6.489) 6.859 6.560 ( 0.847 5.233 -2.347) 5.798 6.644 ( 2.828 -1.982 -0.195) 3.459 6.658 ( -3.453 -2.718 -4.364) 6.193 6.752 ( -0.164 -0.111 -3.066) 3.072 6.864 ( -3.384 -2.389 -0.693) 4.199 6.933 ( 4.067 -3.267 -0.786) 5.275 7.049 ( 1.453 -0.641 0.077) 1.590 7.137 ( -3.135 -4.875 -1.419) 5.967 7.270 ( -3.012 2.969 1.355) 4.440 7.370 ( 4.634 2.851 -2.574) 6.018 7.429 ( -1.196 3.096 -4.018) 5.212 7.709 ( 0.196 5.916 4.080) 7.189 7.997 ( -3.681 -2.300 -4.351) 6.146 8.143 ( 0.590 -3.087 -1.146) 3.346 8.271 ( 2.801 -8.586 -7.010) 11.433 8.480 ( -5.592 -8.846 -1.824) 10.624 8.550 ( 6.480 -6.043 -0.472) 8.873 8.708 ( 3.923 3.121 0.321) 5.023 8.905 ( -3.571 0.630 3.703) 5.183 9.084 ( -1.963 3.179 -0.098) 3.738 9.109 ( 3.669 -0.611 6.101) 7.145 9.162 ( -3.927 -0.955 1.524) 4.319 9.334 ( 2.818 1.404 -0.092) 3.149 9.553 ( 0.734 0.590 5.633) 5.711 9.865 ( -0.250 5.543 4.779) 7.323 9.970 ( -1.729 3.237 6.295) 7.286 10.067 ( -8.618 11.058 -0.434) 14.026 10.262 ( 4.741 1.613 -1.323) 5.179 10.590 ( -0.622 -5.884 3.056) 6.659 10.710 ( 5.030 8.565 0.295) 9.937 10.856 ( 2.126 4.516 4.657) 6.827 11.067 ( -0.631 -3.905 9.749) 10.521 11.130 ( -2.024 -4.505 8.530) 9.857 11.292 ( -0.227 -0.849 -6.633) 6.691 11.513 ( -2.133 -4.746 7.626) 9.232 11.576 ( 1.551 -0.886 5.060) 5.366 12.018 ( -1.269 -5.731 10.114) 11.694 12.264 ( 0.555 4.625 5.157) 6.949 12.446 ( 2.596 3.570 -3.191) 5.447 12.618 ( 2.156 11.936 -6.929) 13.968 12.822 ( -5.997 -4.509 -4.371) 8.683 13.134 ( -4.814 3.449 -2.683) 6.501 13.174 ( 4.170 -2.854 -5.134) 7.203 13.320 ( 3.723 1.708 -6.863) 7.993 13.809 ( 3.438 -5.686 -3.305) 7.421 13.929 ( 0.528 0.478 1.741) 1.881 13.970 ( -4.569 3.025 -9.529) 10.993 14.245 ( -2.252 -0.896 -1.513) 2.858 14.362 ( 3.956 -4.014 0.313) 5.644 14.509 ( -2.843 -1.032 4.513) 5.432 14.650 ( -2.954 -3.694 2.731) 5.462 14.741 ( 4.505 0.720 0.532) 4.593 15.086 ( -2.717 1.453 -6.702) 7.376 15.444 ( 2.223 11.576 -10.833) 16.010 15.689 ( -0.062 -0.959 -19.028) 19.052 16.031 ( 0.308 8.818 -10.971) 14.079 16.847 ( -1.866 -7.447 2.804) 8.173 16.979 ( -0.255 -6.310 -3.008) 6.995 17.179 ( 1.993 -12.126 7.482) 14.388 17.408 ( 0.690 -1.247 -4.722) 4.933 17.586 ( -0.964 4.829 -5.779) 7.592 17.760 ( -0.075 -2.724 -4.812) 5.530 17.988 ( 0.008 5.740 -2.464) 6.247 ======================= Grid point 46 (32/50) ======================= q-point: ( 0.36 -0.14 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 6.776 16.539 9.821) 20.394 1.825 ( -13.661 -12.870 8.801) 20.730 2.174 ( -0.366 -1.384 14.322) 14.394 2.225 ( 1.821 5.016 25.882) 26.426 2.272 ( -0.631 -0.303 12.381) 12.401 2.371 ( 7.439 -5.678 10.281) 13.903 2.461 ( -0.162 -2.476 5.484) 6.019 2.543 ( -1.253 1.003 0.156) 1.613 2.611 ( 4.838 -1.785 11.425) 12.535 2.654 ( 5.177 4.404 4.516) 8.160 2.709 ( 4.215 -7.369 17.077) 19.071 2.738 ( -5.910 -10.447 1.162) 12.059 2.930 ( -4.384 -0.500 0.233) 4.419 2.972 ( 0.950 6.815 0.684) 6.915 3.015 ( -3.719 0.709 7.048) 8.000 3.060 ( 0.321 4.342 8.990) 9.989 3.115 ( -4.305 1.742 2.894) 5.472 3.190 ( -4.533 8.799 1.962) 10.091 3.196 ( -2.815 2.026 7.630) 8.381 3.286 ( 0.499 6.303 -4.376) 7.689 3.335 ( -5.719 1.678 -1.735) 6.208 3.357 ( 3.658 -1.419 -0.089) 3.924 3.459 ( 1.421 -0.334 -4.715) 4.935 3.625 ( -4.064 3.284 -2.027) 5.605 3.699 ( 0.256 0.377 -2.248) 2.294 3.813 ( -4.031 7.022 -1.410) 8.218 3.900 ( -3.625 -4.064 -1.248) 5.587 3.919 ( 1.593 0.624 -2.204) 2.790 3.991 ( 2.125 3.845 0.541) 4.426 4.113 ( -1.880 -8.214 -1.201) 8.511 4.171 ( 2.007 -2.842 -1.809) 3.922 4.250 ( 0.796 -3.441 2.301) 4.215 4.416 ( 8.989 -1.765 -0.961) 9.210 4.464 ( 2.558 -8.490 -0.896) 8.912 4.595 ( 1.156 -1.029 -0.158) 1.555 4.621 ( 6.081 -2.572 0.938) 6.669 4.767 ( 0.894 1.320 -2.699) 3.135 4.861 ( 1.009 0.391 -1.862) 2.153 4.948 ( 4.863 -6.483 -0.863) 8.149 5.041 ( -0.662 1.160 1.398) 1.933 5.170 ( -2.626 0.211 0.430) 2.669 5.206 ( 0.434 -0.004 -3.717) 3.743 5.259 ( 0.476 1.461 -2.435) 2.879 5.328 ( -1.073 0.906 1.262) 1.888 5.410 ( -1.998 0.795 -3.521) 4.126 5.572 ( 5.152 -3.755 -2.880) 6.996 5.716 ( -1.487 1.435 -0.281) 2.085 5.818 ( -1.193 1.196 4.489) 4.797 5.837 ( 0.497 0.371 4.396) 4.440 5.864 ( -0.319 -2.404 3.841) 4.542 6.045 ( -1.741 1.908 -5.077) 5.696 6.549 ( -4.053 2.855 -1.240) 5.110 6.677 ( 0.898 1.701 -2.961) 3.532 6.702 ( 0.074 -0.934 -3.488) 3.611 6.720 ( -2.422 -2.180 -4.054) 5.201 6.780 ( 2.789 3.959 -0.595) 4.879 6.925 ( 0.191 -3.151 -4.131) 5.199 7.025 ( -2.283 -0.544 1.850) 2.988 7.084 ( 3.083 0.660 1.502) 3.492 7.304 ( -1.707 4.765 0.887) 5.139 7.373 ( -2.059 -1.270 -0.335) 2.442 7.489 ( -1.983 1.637 -3.774) 4.567 7.905 ( 10.962 2.842 -2.453) 11.587 7.927 ( -0.417 -7.960 3.926) 8.886 8.096 ( -2.174 -0.409 -0.994) 2.425 8.206 ( 3.114 -10.262 -4.964) 11.817 8.330 ( 5.370 3.422 -3.150) 7.104 8.433 ( -0.555 -5.230 -4.738) 7.079 8.733 ( 4.819 -3.674 -0.338) 6.069 8.870 ( -5.447 5.208 3.400) 8.268 9.081 ( -2.703 0.712 2.415) 3.694 9.162 ( -0.319 1.130 4.641) 4.787 9.233 ( 1.513 2.446 -0.365) 2.899 9.356 ( 0.060 -4.074 2.015) 4.546 9.528 ( 2.222 -2.546 3.821) 5.101 9.949 ( -0.828 1.861 4.309) 4.766 9.962 ( -1.401 3.253 9.602) 10.235 10.192 ( -0.402 10.215 3.105) 10.685 10.352 ( -3.753 -0.840 -3.087) 4.932 10.498 ( 0.593 -3.349 2.589) 4.275 10.823 ( -9.531 -2.715 3.333) 10.456 10.904 ( -4.611 3.941 -0.461) 6.083 11.006 ( 1.370 4.219 3.733) 5.798 11.079 ( 6.635 -0.101 6.044) 8.976 11.225 ( 1.114 -3.125 -1.743) 3.747 11.482 ( 3.020 1.060 8.414) 9.002 11.547 ( 0.227 -4.385 6.573) 7.905 11.969 ( 2.003 -0.916 9.062) 9.326 12.321 ( -3.387 3.388 3.754) 6.086 12.543 ( -6.282 0.244 -0.603) 6.315 12.646 ( 4.914 -3.584 -2.184) 6.462 12.913 ( 5.940 6.008 -3.698) 9.222 13.038 ( -6.213 -1.099 -9.394) 11.316 13.197 ( 0.152 0.466 -3.143) 3.181 13.348 ( -1.169 -0.349 -0.738) 1.426 13.725 ( 0.160 -6.262 2.525) 6.754 13.812 ( 5.684 -1.920 0.606) 6.030 14.157 ( 1.635 6.731 -13.559) 15.226 14.264 ( -1.384 1.963 -1.657) 2.918 14.289 ( -6.281 -4.537 -8.462) 11.474 14.440 ( 2.430 2.290 7.588) 8.290 14.631 ( 4.221 -2.330 4.503) 6.598 14.774 ( -0.062 -3.414 1.285) 3.649 15.096 ( 0.397 2.176 -6.141) 6.528 15.553 ( -7.586 5.659 -13.995) 16.894 15.679 ( 0.522 -0.325 -17.025) 17.036 16.174 ( -6.108 5.330 -9.257) 12.305 16.685 ( -0.351 2.443 -1.637) 2.961 16.986 ( 9.661 -6.697 -0.505) 11.766 17.019 ( 2.521 -6.763 6.271) 9.562 17.397 ( -0.419 -0.131 -6.570) 6.585 17.622 ( -3.059 3.722 -5.253) 7.128 17.746 ( 3.109 -3.142 -5.116) 6.761 18.043 ( -3.083 3.100 -1.647) 4.672 ======================= Grid point 50 (33/50) ======================= q-point: ( 0.60 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -0.153 4.278 3.892) 5.785 2.153 ( -1.092 -4.550 -6.032) 7.634 2.249 ( 0.303 -0.832 0.426) 0.983 2.346 ( 5.188 -1.843 1.360) 5.671 2.355 ( -4.216 -3.303 -6.101) 8.118 2.480 ( 0.160 -6.740 -3.457) 7.577 2.538 ( 0.263 -6.410 9.038) 11.083 2.727 ( -0.274 1.424 3.681) 3.956 2.930 ( -0.341 9.660 3.632) 10.326 2.991 ( -0.724 1.721 2.422) 3.058 3.009 ( -0.071 0.458 0.316) 0.561 3.036 ( -0.842 5.733 1.875) 6.090 3.059 ( 1.422 -1.628 3.921) 4.477 3.107 ( 0.993 3.786 1.369) 4.146 3.152 ( 1.234 3.216 1.874) 3.921 3.205 ( -0.518 -1.694 -2.507) 3.070 3.236 ( -0.015 0.609 -3.066) 3.126 3.249 ( 1.981 4.815 -0.585) 5.239 3.375 ( -0.133 -2.034 -3.134) 3.739 3.476 ( -8.342 3.376 -0.834) 9.038 3.596 ( -1.078 2.299 9.069) 9.418 3.647 ( 1.190 -0.113 7.211) 7.309 3.727 ( 8.652 -2.041 4.795) 10.100 3.763 ( -1.478 -0.397 8.719) 8.852 3.783 ( 0.839 -0.317 5.731) 5.801 3.821 ( -3.332 -0.186 6.459) 7.270 3.857 ( -1.351 1.941 5.581) 6.061 3.882 ( 0.844 -2.754 0.900) 3.017 3.978 ( 4.251 -0.848 1.222) 4.503 4.045 ( -2.594 -3.811 2.367) 5.182 4.099 ( 0.634 5.422 2.409) 5.967 4.234 ( -0.637 -2.732 1.126) 3.023 4.294 ( -1.431 -1.831 -10.361) 10.618 4.323 ( 0.137 -0.711 -4.650) 4.706 4.496 ( 0.906 -4.592 0.380) 4.696 4.579 ( -0.444 -0.930 -2.983) 3.156 4.735 ( 0.197 -4.524 3.851) 5.944 4.910 ( -3.247 -0.337 1.550) 3.614 4.930 ( 2.900 -1.492 1.463) 3.574 4.978 ( 0.368 -3.098 -3.096) 4.395 5.053 ( 0.157 1.029 -9.811) 9.866 5.081 ( 0.723 2.248 -4.849) 5.393 5.100 ( -1.089 0.226 -5.416) 5.529 5.220 ( 1.230 4.741 1.250) 5.055 5.271 ( -1.836 0.221 -1.534) 2.403 5.358 ( 0.428 -2.439 7.798) 8.182 5.578 ( 0.246 1.954 -8.025) 8.263 5.782 ( -0.021 -0.046 -2.246) 2.247 6.057 ( -0.038 0.078 1.977) 1.979 6.073 ( -0.054 -0.616 3.024) 3.087 6.119 ( 0.213 1.296 1.549) 2.031 6.486 ( -0.511 1.950 -2.776) 3.430 6.517 ( 0.560 3.061 -0.726) 3.196 6.631 ( -1.246 -6.204 0.386) 6.339 6.676 ( 1.483 0.208 1.283) 1.972 6.730 ( -0.115 0.381 -0.266) 0.478 6.808 ( 0.128 -3.835 1.189) 4.017 7.048 ( -0.697 2.042 -1.303) 2.520 7.090 ( 0.267 3.221 -0.136) 3.234 7.299 ( 0.356 -0.726 -2.272) 2.411 7.314 ( -0.130 -2.162 -2.286) 3.149 7.561 ( 0.944 -1.164 -7.821) 7.963 7.610 ( -2.165 6.640 3.608) 7.861 7.991 ( 0.232 1.773 -0.707) 1.923 8.029 ( 0.332 2.230 -0.246) 2.268 8.243 ( 0.006 6.133 4.744) 7.753 8.423 ( -4.962 -5.828 5.810) 9.610 8.465 ( 9.948 -7.206 4.687) 13.147 8.642 ( -4.682 -13.564 2.120) 14.505 8.954 ( -1.305 4.509 -2.691) 5.411 9.128 ( 0.752 0.960 0.700) 1.406 9.181 ( 0.413 -2.674 -2.506) 3.688 9.282 ( 2.979 1.766 0.945) 3.590 9.348 ( -2.460 -4.995 1.170) 5.689 9.740 ( 0.253 4.978 12.891) 13.821 10.003 ( 0.037 -0.680 -13.468) 13.485 10.170 ( -0.437 12.537 -4.955) 13.488 10.275 ( -3.150 5.111 0.309) 6.012 10.430 ( -4.068 2.404 3.354) 5.795 10.515 ( 9.439 -5.159 -1.885) 10.921 10.617 ( -0.637 -3.700 -3.256) 4.969 10.940 ( 7.024 -5.878 0.464) 9.170 11.000 ( -9.459 -11.392 -5.104) 15.662 11.157 ( -3.916 11.429 5.826) 13.413 11.419 ( 6.068 -3.247 8.045) 10.587 11.657 ( -0.416 -9.093 4.308) 10.071 12.001 ( 0.537 5.234 -3.020) 6.066 12.055 ( 0.119 -1.045 -2.631) 2.833 12.277 ( -4.506 14.693 -4.769) 16.091 12.396 ( 3.159 9.250 -2.583) 10.110 12.528 ( -0.380 -0.219 -1.870) 1.921 12.667 ( -0.606 -6.966 3.907) 8.009 12.836 ( 0.341 5.735 -3.431) 6.692 13.065 ( 1.834 0.549 -6.901) 7.161 13.215 ( -1.521 -6.547 -8.748) 11.031 13.745 ( 0.493 2.241 2.375) 3.303 13.775 ( -1.593 0.093 2.577) 3.031 13.866 ( 1.071 -2.160 -5.073) 5.617 14.226 ( 0.374 -2.740 2.541) 3.756 14.385 ( -0.236 -2.848 15.721) 15.978 14.570 ( -0.161 1.033 2.802) 2.990 14.604 ( -0.097 -2.484 2.623) 3.613 14.764 ( -0.008 3.741 -7.470) 8.354 14.897 ( -0.115 1.334 -15.611) 15.669 14.988 ( 0.662 -4.373 -10.233) 11.148 15.076 ( -0.331 2.139 4.689) 5.164 15.937 ( -0.008 1.952 -6.677) 6.957 16.933 ( -0.342 3.863 2.814) 4.791 17.017 ( 0.993 -1.360 5.168) 5.435 17.120 ( -1.039 1.331 1.565) 2.302 17.281 ( 0.214 -9.831 -1.817) 9.999 17.531 ( 0.582 4.612 0.682) 4.698 17.643 ( -0.433 -6.911 3.519) 7.767 18.039 ( 0.010 5.626 -1.839) 5.919 ======================= Grid point 54 (34/50) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -0.000 -0.000 -22.326) 22.326 1.393 ( -0.000 -0.000 -22.326) 22.326 2.238 ( -0.000 -0.000 -4.864) 4.864 2.398 ( -0.000 -0.000 -0.446) 0.446 2.409 ( 0.000 0.000 2.051) 2.051 2.409 ( 0.000 0.000 2.051) 2.051 2.623 ( -0.000 -0.000 -21.056) 21.056 2.856 ( -0.000 -0.000 -4.171) 4.171 2.913 ( -0.000 -0.000 -3.548) 3.548 2.913 ( -0.000 -0.000 -3.548) 3.548 2.953 ( -0.000 -0.000 -5.817) 5.817 2.953 ( -0.000 -0.000 -5.817) 5.817 3.043 ( -0.000 -0.000 -3.416) 3.416 3.043 ( -0.000 -0.000 -3.416) 3.416 3.101 ( 0.000 0.000 8.446) 8.446 3.138 ( -0.000 -0.000 -2.788) 2.788 3.142 ( -0.000 -0.000 -10.884) 10.884 3.289 ( -0.000 -0.000 -21.026) 21.026 3.312 ( -0.000 -0.000 -2.497) 2.497 3.448 ( -0.000 -0.000 -6.831) 6.831 3.474 ( -0.000 -0.000 -1.677) 1.677 3.474 ( -0.000 -0.000 -1.677) 1.677 3.593 ( -0.000 -0.000 -8.455) 8.455 3.593 ( -0.000 -0.000 -8.455) 8.455 3.677 ( -0.000 -0.000 -7.580) 7.580 3.783 ( 0.000 0.000 1.907) 1.907 3.842 ( 0.000 0.000 0.563) 0.563 3.948 ( 0.000 0.000 6.442) 6.442 3.976 ( 0.000 0.000 4.373) 4.373 4.160 ( 0.000 0.000 3.418) 3.418 4.160 ( 0.000 0.000 3.418) 3.418 4.226 ( 0.000 0.000 4.599) 4.599 4.397 ( 0.000 0.000 0.147) 0.147 4.397 ( 0.000 0.000 0.147) 0.147 4.511 ( 0.000 0.000 1.485) 1.485 4.549 ( 0.000 0.000 4.976) 4.976 4.800 ( 0.000 0.000 1.548) 1.548 4.951 ( 0.000 0.000 0.471) 0.471 4.982 ( 0.000 0.000 1.798) 1.798 4.982 ( 0.000 0.000 1.798) 1.798 5.172 ( 0.000 0.000 6.000) 6.000 5.204 ( 0.000 0.000 4.669) 4.669 5.204 ( 0.000 0.000 4.669) 4.669 5.284 ( -0.000 -0.000 -2.303) 2.303 5.464 ( 0.000 0.000 8.755) 8.755 5.464 ( 0.000 0.000 8.755) 8.755 5.658 ( -0.000 -0.000 -3.126) 3.126 5.693 ( 0.000 0.000 5.621) 5.621 5.935 ( -0.000 -0.000 -6.215) 6.215 5.935 ( -0.000 -0.000 -6.215) 6.215 6.005 ( -0.000 -0.000 -5.004) 5.004 6.458 ( 0.000 0.000 0.029) 0.029 6.640 ( 0.000 0.000 3.242) 3.242 6.640 ( 0.000 0.000 3.242) 3.242 6.819 ( 0.000 0.000 3.698) 3.698 6.819 ( 0.000 0.000 3.698) 3.698 6.952 ( 0.000 0.000 6.501) 6.501 7.040 ( -0.000 -0.000 -4.378) 4.378 7.204 ( 0.000 0.000 6.798) 6.798 7.230 ( 0.000 0.000 0.634) 0.634 7.230 ( 0.000 0.000 0.634) 0.634 7.285 ( -0.000 -0.000 -1.650) 1.650 7.608 ( -0.000 -0.000 -4.249) 4.249 8.175 ( 0.000 0.000 4.428) 4.428 8.175 ( 0.000 0.000 4.428) 4.428 8.329 ( -0.000 -0.000 -1.398) 1.398 8.450 ( -0.000 -0.000 -0.037) 0.037 8.720 ( 0.000 0.000 5.396) 5.396 8.720 ( 0.000 0.000 5.396) 5.396 8.964 ( -0.000 -0.000 -1.911) 1.911 9.027 ( 0.000 0.000 0.608) 0.608 9.027 ( 0.000 0.000 0.608) 0.608 9.187 ( -0.000 -0.000 -12.724) 12.724 9.376 ( 0.000 0.000 1.854) 1.854 9.409 ( 0.000 0.000 2.436) 2.436 9.953 ( -0.000 -0.000 -10.326) 10.326 9.961 ( -0.000 -0.000 -14.110) 14.110 9.961 ( -0.000 -0.000 -14.110) 14.110 10.423 ( -0.000 -0.000 -1.535) 1.535 10.601 ( 0.000 0.000 1.850) 1.850 10.822 ( -0.000 -0.000 -1.897) 1.897 10.822 ( -0.000 -0.000 -1.897) 1.897 10.896 ( 0.000 0.000 16.153) 16.153 11.452 ( -0.000 -0.000 -14.427) 14.427 11.544 ( -0.000 -0.000 -1.321) 1.321 11.544 ( -0.000 -0.000 -1.321) 1.321 11.702 ( -0.000 -0.000 -5.562) 5.562 11.877 ( 0.000 0.000 18.613) 18.613 12.310 ( -0.000 -0.000 -6.029) 6.029 12.310 ( -0.000 -0.000 -6.029) 6.029 12.409 ( -0.000 -0.000 -7.590) 7.590 12.878 ( 0.000 0.000 14.600) 14.600 12.937 ( 0.000 0.000 0.427) 0.427 12.937 ( 0.000 0.000 0.427) 0.427 13.229 ( 0.000 0.000 3.719) 3.719 13.721 ( 0.000 0.000 8.696) 8.696 13.928 ( 0.000 0.000 0.145) 0.145 13.928 ( 0.000 0.000 0.145) 0.145 14.442 ( 0.000 0.000 7.652) 7.652 14.506 ( -0.000 -0.000 -1.346) 1.346 14.506 ( -0.000 -0.000 -1.346) 1.346 14.683 ( 0.000 0.000 0.086) 0.086 14.857 ( -0.000 -0.000 -14.945) 14.945 14.906 ( 0.000 0.000 9.209) 9.209 14.906 ( 0.000 0.000 9.209) 9.209 15.291 ( 0.000 0.000 23.447) 23.447 15.764 ( 0.000 0.000 0.339) 0.339 17.091 ( 0.000 0.000 1.115) 1.115 17.091 ( 0.000 0.000 1.115) 1.115 17.269 ( 0.000 0.000 10.135) 10.135 17.294 ( 0.000 0.000 2.705) 2.705 17.712 ( 0.000 0.000 4.541) 4.541 17.712 ( 0.000 0.000 4.541) 4.541 17.882 ( -0.000 -0.000 -11.055) 11.055 ======================= Grid point 56 (35/50) ======================= q-point: (-0.17 -0.17 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 0.000 0.000 -14.263) 14.263 2.065 ( 0.000 0.000 -9.060) 9.060 2.317 ( 0.000 -0.000 -0.029) 0.029 2.372 ( 0.000 0.000 0.354) 0.354 2.424 ( 0.000 0.000 -3.758) 3.758 2.594 ( -0.000 -0.000 -8.820) 8.820 2.615 ( 0.000 0.000 -9.676) 9.676 2.669 ( -0.000 0.000 1.034) 1.034 2.781 ( 0.000 0.000 -10.003) 10.003 2.863 ( -0.000 -0.000 -5.896) 5.896 2.931 ( -0.000 0.000 -1.554) 1.554 2.944 ( 0.000 0.000 -10.333) 10.333 2.972 ( -0.000 0.000 4.033) 4.033 3.005 ( 0.000 -0.000 -6.433) 6.433 3.052 ( 0.000 -0.000 -1.954) 1.954 3.066 ( -0.000 0.000 2.085) 2.085 3.211 ( -0.000 0.000 -9.108) 9.108 3.216 ( 0.000 -0.000 -18.815) 18.815 3.245 ( 0.000 0.000 -0.766) 0.766 3.339 ( -0.000 0.000 -0.506) 0.506 3.387 ( 0.000 0.000 -8.228) 8.228 3.394 ( 0.000 -0.000 0.083) 0.083 3.494 ( 0.000 -0.000 -15.201) 15.201 3.536 ( -0.000 0.000 1.658) 1.658 3.577 ( 0.000 -0.000 -6.568) 6.568 3.680 ( 0.000 0.000 -1.243) 1.243 3.850 ( 0.000 0.000 5.520) 5.520 3.905 ( -0.000 -0.000 2.648) 2.648 3.961 ( 0.000 0.000 -3.275) 3.275 4.148 ( 0.000 0.000 5.995) 5.995 4.262 ( 0.000 0.000 -4.603) 4.603 4.328 ( 0.000 0.000 -0.528) 0.528 4.435 ( 0.000 0.000 1.665) 1.665 4.521 ( 0.000 0.000 3.088) 3.088 4.541 ( 0.000 0.000 4.673) 4.673 4.705 ( 0.000 0.000 2.567) 2.567 4.765 ( 0.000 0.000 -0.349) 0.349 4.880 ( 0.000 0.000 0.955) 0.955 5.006 ( 0.000 -0.000 3.345) 3.345 5.079 ( -0.000 0.000 -3.210) 3.210 5.107 ( 0.000 0.000 4.382) 4.382 5.187 ( -0.000 -0.000 1.724) 1.724 5.209 ( 0.000 0.000 0.640) 0.640 5.232 ( 0.000 0.000 7.122) 7.122 5.266 ( -0.000 -0.000 5.993) 5.993 5.566 ( 0.000 0.000 12.822) 12.822 5.605 ( -0.000 0.000 6.616) 6.616 5.781 ( 0.000 0.000 -0.743) 0.743 5.931 ( -0.000 0.000 -7.712) 7.712 5.968 ( 0.000 -0.000 -3.921) 3.921 6.009 ( 0.000 0.000 -5.343) 5.343 6.443 ( 0.000 0.000 0.799) 0.799 6.635 ( 0.000 0.000 3.295) 3.295 6.649 ( -0.000 -0.000 -0.524) 0.524 6.734 ( 0.000 0.000 4.037) 4.037 6.741 ( 0.000 0.000 0.281) 0.281 6.908 ( 0.000 -0.000 1.028) 1.028 6.966 ( 0.000 0.000 2.582) 2.582 7.073 ( -0.000 -0.000 2.333) 2.333 7.286 ( 0.000 0.000 -5.040) 5.040 7.359 ( 0.000 0.000 2.742) 2.742 7.408 ( 0.000 0.000 -0.797) 0.797 7.930 ( 0.000 0.000 12.169) 12.169 7.978 ( 0.000 0.000 2.637) 2.637 8.082 ( 0.000 0.000 -5.005) 5.005 8.093 ( -0.000 -0.000 7.424) 7.424 8.452 ( 0.000 0.000 -2.466) 2.466 8.590 ( -0.000 0.000 -5.491) 5.491 8.683 ( 0.000 0.000 -5.541) 5.541 8.975 ( 0.000 0.000 -8.212) 8.212 8.990 ( -0.000 0.000 5.754) 5.754 9.172 ( 0.000 0.000 5.642) 5.642 9.419 ( 0.000 0.000 -6.995) 6.995 9.488 ( -0.000 0.000 -0.630) 0.630 9.551 ( 0.000 0.000 -8.227) 8.227 9.911 ( 0.000 -0.000 0.577) 0.577 10.106 ( -0.000 -0.000 -6.076) 6.076 10.116 ( 0.000 0.000 5.694) 5.694 10.313 ( 0.000 0.000 -5.378) 5.378 10.633 ( 0.000 0.000 -6.743) 6.743 10.672 ( 0.000 -0.000 2.558) 2.558 10.742 ( -0.000 -0.000 3.066) 3.066 11.001 ( 0.000 0.000 -1.211) 1.211 11.132 ( 0.000 0.000 1.667) 1.667 11.379 ( 0.000 0.000 -11.557) 11.557 11.733 ( 0.000 0.000 -11.553) 11.553 11.919 ( -0.000 0.000 -15.126) 15.126 12.156 ( 0.000 0.000 4.942) 4.942 12.331 ( 0.000 -0.000 2.271) 2.271 12.380 ( 0.000 0.000 17.911) 17.911 12.392 ( -0.000 0.000 7.081) 7.081 12.706 ( 0.000 0.000 7.075) 7.075 13.013 ( 0.000 0.000 11.033) 11.033 13.085 ( 0.000 0.000 2.199) 2.199 13.128 ( -0.000 -0.000 -3.539) 3.539 13.831 ( 0.000 0.000 8.980) 8.980 13.876 ( 0.000 0.000 -1.221) 1.221 13.878 ( -0.000 -0.000 3.178) 3.178 14.212 ( 0.000 0.000 -3.989) 3.989 14.356 ( 0.000 0.000 -6.815) 6.815 14.511 ( 0.000 0.000 -1.352) 1.352 14.716 ( 0.000 0.000 6.802) 6.802 14.813 ( 0.000 0.000 -0.002) 0.002 14.936 ( 0.000 0.000 5.937) 5.937 15.226 ( 0.000 0.000 3.895) 3.895 15.269 ( -0.000 -0.000 22.718) 22.718 15.947 ( 0.000 0.000 4.349) 4.349 16.713 ( 0.000 0.000 -7.172) 7.172 17.095 ( 0.000 0.000 5.394) 5.394 17.264 ( -0.000 0.000 6.102) 6.102 17.371 ( 0.000 0.000 -3.277) 3.277 17.486 ( -0.000 -0.000 -10.105) 10.105 17.775 ( 0.000 0.000 5.794) 5.794 17.864 ( 0.000 0.000 2.203) 2.203 ======================= Grid point 63 (36/50) ======================= q-point: ( 0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -4.326 22.909 8.990) 24.987 1.308 ( 0.126 14.433 36.220) 38.990 1.869 ( 5.686 34.064 3.963) 34.763 1.950 ( 1.870 -3.829 18.424) 18.910 2.114 ( 0.948 2.992 2.575) 4.059 2.204 ( -3.059 -7.336 3.828) 8.821 2.222 ( -3.813 -8.268 11.333) 14.538 2.410 ( -1.682 -6.107 0.109) 6.335 2.520 ( 1.585 -11.794 4.555) 12.742 2.548 ( 1.795 -3.886 5.393) 6.885 2.630 ( 2.452 -3.799 -1.041) 4.640 2.777 ( -0.360 -0.249 2.144) 2.188 2.823 ( 0.998 -1.192 5.727) 5.934 2.861 ( -0.370 4.361 3.663) 5.708 2.886 ( -0.400 0.683 2.101) 2.245 3.018 ( -0.273 4.194 0.791) 4.277 3.108 ( -3.140 3.439 -0.508) 4.684 3.179 ( 1.895 -3.963 3.708) 5.749 3.244 ( 0.289 -1.623 -0.243) 1.666 3.272 ( -1.879 -0.421 2.391) 3.070 3.343 ( 2.372 1.269 -2.598) 3.740 3.518 ( 1.985 0.262 -1.740) 2.652 3.568 ( -0.209 -0.306 -4.612) 4.627 3.624 ( -5.685 0.128 -1.795) 5.963 3.731 ( -1.297 7.337 0.695) 7.484 3.836 ( -5.836 -1.869 -1.605) 6.335 3.889 ( 0.750 1.732 -1.121) 2.195 3.972 ( 2.580 -1.206 -1.017) 3.024 3.985 ( 0.223 -3.797 -2.387) 4.491 4.169 ( 2.137 -1.150 0.804) 2.556 4.220 ( 5.531 -1.891 -0.968) 5.925 4.243 ( 7.664 -3.423 -1.049) 8.459 4.340 ( -4.355 -1.725 0.335) 4.696 4.393 ( -1.946 -0.600 3.172) 3.769 4.623 ( -1.894 -3.215 0.040) 3.731 4.759 ( -0.500 4.877 2.965) 5.730 4.823 ( 1.872 -4.063 -1.649) 4.767 4.922 ( -3.080 -3.772 0.305) 4.879 4.964 ( -1.322 -1.528 -1.037) 2.271 5.004 ( -1.786 -2.806 -0.841) 3.430 5.162 ( 3.201 -2.510 -1.419) 4.308 5.274 ( -1.053 -3.998 -0.313) 4.147 5.308 ( 1.550 -0.432 -3.741) 4.073 5.328 ( -1.062 1.404 -2.817) 3.321 5.487 ( 1.891 -1.035 4.587) 5.068 5.578 ( -2.334 -4.186 3.020) 5.665 5.675 ( 1.053 2.423 -0.500) 2.689 5.740 ( 0.730 5.186 1.021) 5.336 5.752 ( -4.179 -0.917 0.848) 4.362 5.858 ( 4.972 -1.919 0.747) 5.381 6.113 ( -0.626 0.773 -2.000) 2.234 6.587 ( 3.466 2.004 2.072) 4.508 6.610 ( -0.734 2.667 0.757) 2.868 6.751 ( -4.351 -2.007 -3.866) 6.157 6.802 ( 1.401 -0.894 -1.123) 2.006 6.862 ( -5.055 1.321 -0.297) 5.233 6.939 ( 3.217 -2.315 0.678) 4.021 7.029 ( 1.909 -1.292 1.579) 2.794 7.117 ( -0.779 -4.777 1.523) 5.074 7.275 ( -2.525 1.540 -1.071) 3.146 7.434 ( 4.789 -0.488 -3.153) 5.754 7.534 ( -2.375 1.913 -5.979) 6.712 7.636 ( 2.138 6.730 2.893) 7.631 8.032 ( -1.699 -6.927 1.417) 7.271 8.194 ( -5.135 -4.487 -4.657) 8.257 8.401 ( 1.378 -4.712 -4.697) 6.795 8.510 ( -0.360 -7.301 0.527) 7.328 8.623 ( 6.701 -2.164 -8.566) 11.089 8.733 ( 2.968 5.254 -3.225) 6.842 8.851 ( -3.551 1.019 1.209) 3.887 9.001 ( 1.970 0.322 3.306) 3.861 9.076 ( -7.864 -0.021 1.469) 8.000 9.113 ( 3.829 0.445 3.919) 5.496 9.324 ( 1.679 -1.619 2.175) 3.189 9.378 ( -0.813 2.501 10.395) 10.722 9.711 ( 4.734 5.089 8.492) 10.974 9.921 ( -0.709 -1.960 1.679) 2.677 10.144 ( -11.512 7.015 -6.848) 15.121 10.302 ( 1.907 3.167 -1.816) 4.119 10.523 ( -2.795 -1.470 2.705) 4.158 10.635 ( 7.912 6.478 6.839) 12.302 10.757 ( -0.451 6.235 4.765) 7.861 10.875 ( 0.729 -3.576 7.921) 8.722 10.991 ( -0.371 -2.121 5.061) 5.500 11.350 ( -2.347 1.025 -0.489) 2.608 11.498 ( 1.468 -10.040 -4.168) 10.969 11.515 ( 0.319 -1.191 1.315) 1.802 11.813 ( -1.092 -3.785 9.118) 9.932 12.143 ( 0.479 7.165 6.301) 9.553 12.431 ( 0.999 5.634 2.575) 6.275 12.735 ( 5.572 3.591 -4.190) 7.842 12.877 ( -8.143 -4.710 -0.936) 9.454 13.198 ( 0.133 3.049 -5.229) 6.055 13.252 ( -0.171 0.124 -4.060) 4.066 13.460 ( 2.389 -6.099 -5.167) 8.343 13.803 ( -2.024 -5.748 6.555) 8.950 13.884 ( 3.914 -6.215 -3.536) 8.152 14.132 ( -0.394 4.691 2.232) 5.210 14.242 ( -0.719 -3.096 9.751) 10.255 14.331 ( -3.729 2.454 -6.228) 7.663 14.413 ( 2.751 -1.022 1.794) 3.439 14.562 ( 0.905 -1.030 5.497) 5.665 14.798 ( 0.256 0.464 -4.188) 4.221 15.197 ( -6.062 0.715 -4.381) 7.513 15.573 ( 6.562 12.247 -3.135) 14.244 15.959 ( -1.264 -3.528 -7.195) 8.112 16.307 ( -0.170 8.148 -13.596) 15.851 16.871 ( -0.178 -1.103 -4.975) 5.099 17.000 ( 0.097 -5.333 0.816) 5.396 17.099 ( -0.197 -7.186 -2.079) 7.483 17.541 ( 2.039 -0.238 -6.265) 6.593 17.691 ( -2.255 3.416 -4.491) 6.076 17.850 ( 0.389 -2.585 -3.702) 4.532 18.042 ( 0.014 4.382 -2.740) 5.168 ======================= Grid point 64 (37/50) ======================= q-point: ( 0.31 -0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 2.474 15.664 11.333) 19.492 1.606 ( -1.378 11.953 22.464) 25.484 1.680 ( -14.914 -11.021 8.788) 20.521 1.720 ( -6.448 0.372 19.181) 20.239 2.210 ( 6.158 -2.891 1.175) 6.904 2.280 ( 11.661 -9.726 3.007) 15.479 2.292 ( 11.979 -2.458 9.820) 15.683 2.343 ( 4.930 -14.908 11.906) 19.705 2.461 ( -0.599 -0.716 2.337) 2.517 2.615 ( 0.323 0.385 -1.395) 1.483 2.645 ( 5.227 9.051 -0.273) 10.455 2.729 ( -12.801 -9.548 0.281) 15.972 2.855 ( -3.050 1.228 6.322) 7.126 2.906 ( -1.735 4.052 5.320) 6.909 2.943 ( -6.943 -2.052 -0.113) 7.241 2.972 ( 2.446 9.656 0.356) 9.968 3.071 ( -2.729 2.762 4.443) 5.901 3.083 ( -1.855 1.885 0.777) 2.756 3.197 ( -5.858 10.069 -1.011) 11.693 3.324 ( 0.025 -0.021 -0.082) 0.088 3.341 ( 1.633 -0.922 0.250) 1.892 3.409 ( -4.670 5.802 -3.592) 8.269 3.538 ( -1.767 0.423 -2.833) 3.365 3.664 ( 3.338 6.537 -1.405) 7.473 3.750 ( -2.561 -3.207 -2.520) 4.816 3.827 ( -4.097 5.500 -0.049) 6.858 3.895 ( -3.280 0.533 0.722) 3.400 3.955 ( 1.112 0.322 -1.190) 1.660 4.012 ( 1.117 -1.694 -2.395) 3.139 4.159 ( -0.867 -4.023 -2.582) 4.858 4.175 ( 1.228 -1.081 0.872) 1.854 4.209 ( 0.540 -4.347 2.099) 4.857 4.392 ( 4.114 -1.972 2.234) 5.080 4.501 ( 5.465 -10.909 -2.147) 12.389 4.570 ( 4.673 -2.323 1.001) 5.314 4.641 ( 7.842 -4.418 -1.497) 9.124 4.801 ( 0.947 1.252 -0.689) 1.714 4.863 ( 0.270 2.146 2.664) 3.431 4.948 ( 5.896 -4.445 1.158) 7.474 5.043 ( -1.959 -0.914 -0.430) 2.204 5.137 ( 0.655 -3.321 -0.273) 3.396 5.232 ( 0.535 3.169 0.280) 3.226 5.322 ( -0.455 -0.849 -3.456) 3.588 5.337 ( -1.241 0.203 -2.633) 2.918 5.440 ( -1.766 0.296 0.482) 1.855 5.524 ( 2.847 -0.191 5.510) 6.205 5.702 ( -0.614 0.774 1.688) 1.956 5.747 ( 0.590 1.590 2.694) 3.183 5.792 ( -2.960 2.727 0.336) 4.039 5.840 ( 2.502 -6.862 -0.831) 7.351 6.111 ( -0.914 1.389 -0.493) 1.735 6.568 ( -4.677 2.380 -0.692) 5.293 6.722 ( -2.565 2.650 -1.690) 4.056 6.766 ( 0.720 1.530 -2.424) 2.955 6.777 ( -1.137 -0.219 -1.469) 1.871 6.802 ( 1.203 4.090 -1.742) 4.606 6.965 ( -2.383 0.841 1.579) 2.980 7.004 ( -0.324 -4.598 -1.588) 4.875 7.031 ( 4.028 -0.800 3.100) 5.145 7.300 ( -1.236 5.154 -0.290) 5.308 7.393 ( -2.470 -2.054 -1.472) 3.534 7.583 ( 2.502 -1.643 -5.155) 5.961 7.853 ( -1.523 -10.630 3.159) 11.194 7.914 ( 12.691 -0.304 1.235) 12.755 8.109 ( 3.958 -0.138 -0.347) 3.975 8.279 ( 4.817 -8.142 -3.986) 10.266 8.437 ( -2.505 4.645 -4.679) 7.053 8.619 ( -4.493 -2.443 -13.382) 14.326 8.768 ( 3.944 -1.375 -4.010) 5.790 8.835 ( -4.902 4.043 -0.312) 6.362 9.021 ( -3.067 1.741 2.645) 4.408 9.052 ( -1.454 5.237 6.671) 8.605 9.192 ( 0.567 -1.094 4.360) 4.530 9.271 ( 0.447 -1.503 8.700) 8.840 9.406 ( -0.658 0.833 7.230) 7.308 9.817 ( -4.524 -0.085 4.328) 6.262 9.867 ( 5.235 -5.001 4.087) 8.314 10.170 ( -0.579 11.613 -1.257) 11.695 10.423 ( 2.409 -4.077 -5.339) 7.136 10.491 ( 2.248 0.838 -0.391) 2.431 10.698 ( -4.948 -4.319 7.558) 10.013 10.835 ( 0.961 -0.307 10.560) 10.608 10.863 ( -2.130 2.204 5.567) 6.355 10.970 ( 0.840 -0.520 3.040) 3.197 11.301 ( 2.813 -0.378 -3.699) 4.662 11.402 ( 1.184 1.982 -0.179) 2.316 11.469 ( -2.904 -1.655 1.945) 3.867 11.797 ( 0.200 0.902 7.077) 7.137 12.237 ( -5.706 5.788 3.922) 9.024 12.515 ( -7.838 4.763 3.361) 9.768 12.660 ( 3.144 -2.910 -0.011) 4.284 12.949 ( 9.593 -5.814 -1.223) 11.284 13.218 ( 0.143 -0.439 -7.271) 7.286 13.258 ( 2.302 -1.408 -3.306) 4.268 13.382 ( -3.595 0.698 -3.163) 4.839 13.693 ( 4.565 -1.499 0.756) 4.864 13.802 ( 2.210 -6.134 0.328) 6.528 14.195 ( -1.894 2.285 11.952) 12.315 14.209 ( -1.264 1.919 6.297) 6.703 14.352 ( -0.327 1.488 -4.996) 5.223 14.439 ( 1.410 -1.805 1.136) 2.556 14.550 ( 2.350 -3.486 0.284) 4.214 14.817 ( 0.010 -0.508 -4.699) 4.726 15.180 ( -2.636 6.698 -2.821) 7.731 15.757 ( -9.043 0.659 -6.322) 11.053 15.876 ( 3.343 1.739 -4.110) 5.576 16.411 ( -5.652 5.789 -12.307) 14.728 16.837 ( -0.536 0.865 -10.888) 10.936 16.940 ( 0.707 -0.487 1.258) 1.523 17.039 ( 6.645 -6.911 -3.958) 10.372 17.530 ( -0.331 -0.971 -5.967) 6.054 17.721 ( -1.857 3.541 -4.116) 5.738 17.834 ( 2.685 -3.224 -3.567) 5.507 18.084 ( -2.398 2.419 -2.165) 4.036 ======================= Grid point 68 (38/50) ======================= q-point: ( 0.54 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -2.348 12.755 11.850) 17.568 2.135 ( 5.998 -6.717 5.687) 10.651 2.198 ( -3.098 -1.616 4.281) 5.526 2.311 ( -0.758 -7.951 5.189) 9.525 2.472 ( -0.009 -1.679 -2.578) 3.076 2.491 ( -1.715 1.687 -4.872) 5.434 2.528 ( 2.498 -1.710 -0.199) 3.033 2.665 ( 0.084 -7.201 3.728) 8.109 2.716 ( -0.326 3.950 13.004) 13.594 2.903 ( 0.957 0.152 15.531) 15.561 2.919 ( -0.460 0.653 11.994) 12.021 2.953 ( 0.129 9.698 3.001) 10.153 3.013 ( -0.366 1.753 -0.231) 1.806 3.069 ( -0.168 0.526 18.447) 18.455 3.094 ( 0.214 5.679 3.115) 6.481 3.162 ( 2.396 1.725 -2.875) 4.121 3.258 ( -2.111 1.214 0.020) 2.435 3.290 ( 0.606 -0.788 2.515) 2.704 3.323 ( -0.751 2.214 3.398) 4.125 3.357 ( 0.691 0.394 6.145) 6.196 3.413 ( 0.340 0.228 13.550) 13.557 3.433 ( -0.321 -0.358 12.803) 12.812 3.537 ( -10.001 3.032 2.056) 10.651 3.590 ( 4.829 0.813 -1.522) 5.128 3.694 ( 0.887 -5.243 -0.009) 5.317 3.788 ( -1.118 2.248 -0.745) 2.619 3.855 ( 1.793 2.323 -1.678) 3.381 3.897 ( 2.371 0.104 -1.136) 2.631 3.994 ( -3.135 2.808 1.735) 4.552 4.046 ( 3.226 -3.986 -4.264) 6.669 4.109 ( 5.079 -0.498 -1.967) 5.470 4.212 ( -3.557 -4.546 1.054) 5.868 4.320 ( -2.631 -2.612 2.075) 4.249 4.427 ( 1.250 -7.110 -1.360) 7.346 4.555 ( 0.332 0.853 -4.590) 4.680 4.649 ( -2.365 -3.040 1.381) 4.092 4.681 ( 1.456 -1.693 -3.840) 4.442 4.871 ( -2.694 -2.400 2.137) 4.194 4.885 ( 2.566 -3.224 1.207) 4.293 5.089 ( 0.097 -1.956 -5.981) 6.293 5.109 ( 0.195 2.364 4.496) 5.083 5.183 ( 0.386 3.040 -1.852) 3.580 5.208 ( -0.603 1.479 -3.397) 3.754 5.266 ( 0.001 2.323 -7.882) 8.217 5.338 ( -0.260 -1.702 -6.664) 6.883 5.399 ( 0.104 -3.601 -7.612) 8.422 5.697 ( 0.184 2.348 -3.755) 4.432 5.831 ( 0.004 -1.491 -2.736) 3.116 5.959 ( 0.030 1.367 7.092) 7.222 5.971 ( -0.146 -0.287 6.534) 6.542 6.057 ( 0.406 2.353 3.511) 4.246 6.552 ( 0.288 2.069 -3.703) 4.252 6.585 ( -0.798 3.376 -5.434) 6.447 6.631 ( -1.138 -2.209 0.060) 2.486 6.659 ( 2.590 -3.765 -0.903) 4.658 6.767 ( -1.995 0.521 -3.056) 3.686 6.831 ( 1.450 -3.784 -2.637) 4.835 7.074 ( -0.307 1.475 -0.181) 1.518 7.081 ( -0.370 0.641 0.437) 0.860 7.337 ( -0.702 1.035 -1.043) 1.629 7.358 ( 0.757 -0.870 -1.869) 2.196 7.512 ( 0.684 8.623 2.720) 9.068 7.748 ( -4.373 -0.126 -7.308) 8.517 7.984 ( 0.358 1.777 1.501) 2.353 8.045 ( 4.043 -3.253 0.402) 5.205 8.168 ( 3.519 6.383 0.065) 7.289 8.304 ( -6.502 -11.513 5.275) 14.235 8.385 ( 3.197 -9.376 1.711) 10.053 8.640 ( -1.059 -10.249 -1.018) 10.354 8.971 ( -0.008 0.038 1.523) 1.524 9.130 ( 2.560 6.002 -1.946) 6.810 9.217 ( -1.614 3.555 0.485) 3.934 9.266 ( -5.638 0.499 2.709) 6.275 9.319 ( 5.935 -0.097 -0.137) 5.938 9.547 ( -0.477 -5.057 4.808) 6.995 10.086 ( -0.578 6.937 3.794) 7.928 10.170 ( -0.546 0.222 8.527) 8.547 10.266 ( -0.950 11.185 -2.245) 11.447 10.401 ( -6.666 5.604 3.633) 9.436 10.520 ( 7.796 -4.810 0.957) 9.210 10.734 ( 1.526 2.580 -11.084) 11.482 10.962 ( 7.342 -0.826 -0.931) 7.447 11.071 ( -9.960 -6.768 -0.702) 12.063 11.089 ( -2.757 2.008 1.587) 3.762 11.259 ( 4.109 -3.466 6.978) 8.808 11.566 ( 0.528 -7.445 4.537) 8.734 11.773 ( -0.598 0.866 16.409) 16.442 12.069 ( 0.032 -2.517 2.195) 3.340 12.382 ( 1.625 5.647 -2.588) 6.421 12.450 ( -1.392 8.818 -3.406) 9.555 12.608 ( 1.581 -6.446 -1.275) 6.758 12.793 ( -4.932 6.621 -9.773) 12.793 12.941 ( 3.492 8.388 -9.718) 13.304 13.168 ( 1.147 0.855 -2.237) 2.656 13.324 ( -1.354 -2.364 -2.018) 3.390 13.703 ( 0.477 -0.734 1.266) 1.539 13.779 ( -1.920 -4.478 -2.948) 5.695 13.951 ( 1.853 2.400 -3.604) 4.710 14.202 ( 0.240 -5.897 0.877) 5.967 14.232 ( -0.532 0.673 -2.994) 3.114 14.540 ( -1.799 0.028 0.392) 1.842 14.590 ( 1.304 -4.199 -0.403) 4.415 14.889 ( 1.181 2.918 7.488) 8.123 14.948 ( -1.065 1.114 -7.154) 7.318 15.267 ( 0.227 1.030 -18.707) 18.737 15.279 ( -0.073 -0.087 -19.370) 19.370 16.078 ( 0.223 7.911 -7.057) 10.604 16.859 ( 2.429 -2.095 3.577) 4.804 16.869 ( -3.550 -2.768 8.688) 9.784 17.095 ( 1.100 -5.803 3.170) 6.703 17.304 ( -0.152 -5.242 -2.106) 5.651 17.565 ( 0.417 3.578 -3.772) 5.215 17.629 ( -0.438 -3.043 -2.382) 3.889 18.057 ( -0.003 4.289 -0.492) 4.317 ======================= Grid point 72 (39/50) ======================= q-point: (-0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -0.000 -0.000 -19.147) 19.147 1.806 ( -0.000 -0.000 -19.147) 19.147 2.326 ( -0.000 -0.000 -4.204) 4.204 2.353 ( 0.000 0.000 3.444) 3.444 2.353 ( 0.000 0.000 3.444) 3.444 2.375 ( 0.000 0.000 2.442) 2.442 2.723 ( 0.000 0.000 10.241) 10.241 2.876 ( 0.000 0.000 3.220) 3.220 2.968 ( -0.000 -0.000 -1.936) 1.936 2.968 ( -0.000 -0.000 -1.936) 1.936 3.008 ( -0.000 -0.000 -2.135) 2.135 3.008 ( -0.000 -0.000 -2.135) 2.135 3.056 ( -0.000 -0.000 -6.718) 6.718 3.137 ( -0.000 -0.000 -3.748) 3.748 3.137 ( -0.000 -0.000 -3.748) 3.748 3.183 ( -0.000 -0.000 -2.414) 2.414 3.212 ( 0.000 0.000 3.513) 3.513 3.257 ( 0.000 0.000 0.683) 0.683 3.490 ( -0.000 -0.000 -0.987) 0.987 3.490 ( -0.000 -0.000 -0.987) 0.987 3.619 ( -0.000 -0.000 -7.003) 7.003 3.710 ( -0.000 -0.000 -4.087) 4.087 3.768 ( -0.000 -0.000 -6.964) 6.964 3.768 ( -0.000 -0.000 -6.964) 6.964 3.778 ( 0.000 0.000 3.110) 3.110 3.816 ( 0.000 0.000 4.487) 4.487 3.857 ( -0.000 -0.000 -14.550) 14.550 3.874 ( 0.000 0.000 3.514) 3.514 4.022 ( -0.000 -0.000 -18.049) 18.049 4.087 ( 0.000 0.000 4.532) 4.532 4.087 ( 0.000 0.000 4.532) 4.532 4.094 ( 0.000 0.000 6.198) 6.198 4.356 ( 0.000 0.000 5.218) 5.218 4.356 ( 0.000 0.000 5.218) 5.218 4.461 ( 0.000 0.000 3.420) 3.420 4.508 ( -0.000 -0.000 -1.383) 1.383 4.767 ( 0.000 0.000 2.423) 2.423 4.915 ( 0.000 0.000 1.257) 1.257 4.948 ( 0.000 0.000 1.376) 1.376 4.948 ( 0.000 0.000 1.376) 1.376 5.010 ( 0.000 0.000 6.738) 6.738 5.095 ( 0.000 0.000 4.883) 4.883 5.095 ( 0.000 0.000 4.883) 4.883 5.322 ( 0.000 0.000 4.650) 4.650 5.322 ( 0.000 0.000 4.650) 4.650 5.415 ( -0.000 -0.000 -9.368) 9.368 5.538 ( 0.000 0.000 9.840) 9.840 5.725 ( -0.000 -0.000 -3.437) 3.437 6.036 ( -0.000 -0.000 -3.554) 3.554 6.036 ( -0.000 -0.000 -3.554) 3.554 6.115 ( -0.000 -0.000 -4.286) 4.286 6.465 ( -0.000 -0.000 -0.957) 0.957 6.589 ( 0.000 0.000 1.983) 1.983 6.589 ( 0.000 0.000 1.983) 1.983 6.755 ( 0.000 0.000 2.389) 2.389 6.755 ( 0.000 0.000 2.389) 2.389 6.813 ( 0.000 0.000 7.049) 7.049 7.096 ( 0.000 0.000 3.501) 3.501 7.106 ( -0.000 -0.000 -2.132) 2.132 7.239 ( -0.000 -0.000 -1.625) 1.625 7.239 ( -0.000 -0.000 -1.625) 1.625 7.372 ( -0.000 -0.000 -7.083) 7.083 7.684 ( -0.000 -0.000 -2.345) 2.345 8.098 ( 0.000 0.000 3.172) 3.172 8.098 ( 0.000 0.000 3.172) 3.172 8.371 ( -0.000 -0.000 -2.782) 2.782 8.424 ( 0.000 0.000 3.094) 3.094 8.562 ( 0.000 0.000 9.403) 9.403 8.562 ( 0.000 0.000 9.403) 9.403 8.995 ( -0.000 -0.000 -1.153) 1.153 9.067 ( -0.000 -0.000 -3.615) 3.615 9.067 ( -0.000 -0.000 -3.615) 3.615 9.319 ( 0.000 0.000 1.214) 1.214 9.341 ( 0.000 0.000 3.372) 3.372 9.545 ( -0.000 -0.000 -20.751) 20.751 10.181 ( -0.000 -0.000 -11.108) 11.108 10.247 ( -0.000 -0.000 -13.547) 13.547 10.247 ( -0.000 -0.000 -13.547) 13.547 10.286 ( 0.000 0.000 22.795) 22.795 10.524 ( 0.000 0.000 5.679) 5.679 10.552 ( 0.000 0.000 6.767) 6.767 10.838 ( -0.000 -0.000 -0.360) 0.360 10.838 ( -0.000 -0.000 -0.360) 0.360 11.514 ( 0.000 0.000 4.671) 4.671 11.514 ( 0.000 0.000 4.671) 4.671 11.586 ( 0.000 0.000 8.737) 8.737 11.785 ( -0.000 -0.000 -19.272) 19.272 11.876 ( -0.000 -0.000 -8.355) 8.355 12.428 ( -0.000 -0.000 -5.934) 5.934 12.428 ( -0.000 -0.000 -5.934) 5.934 12.536 ( 0.000 0.000 0.294) 0.294 12.737 ( -0.000 -0.000 -4.810) 4.810 12.934 ( 0.000 0.000 24.022) 24.022 12.958 ( -0.000 -0.000 -3.102) 3.102 12.958 ( -0.000 -0.000 -3.102) 3.102 13.688 ( -0.000 -0.000 -5.341) 5.341 13.875 ( 0.000 0.000 4.855) 4.855 13.875 ( 0.000 0.000 4.855) 4.855 14.291 ( 0.000 0.000 6.714) 6.714 14.604 ( -0.000 -0.000 -7.034) 7.034 14.604 ( -0.000 -0.000 -7.034) 7.034 14.691 ( 0.000 0.000 2.948) 2.948 14.748 ( 0.000 0.000 4.958) 4.958 14.748 ( 0.000 0.000 4.958) 4.958 14.846 ( 0.000 0.000 17.493) 17.493 15.092 ( -0.000 -0.000 -7.214) 7.214 15.816 ( -0.000 -0.000 -4.742) 4.742 17.069 ( 0.000 0.000 1.511) 1.511 17.069 ( 0.000 0.000 1.511) 1.511 17.138 ( 0.000 0.000 2.676) 2.676 17.227 ( 0.000 0.000 4.135) 4.135 17.629 ( 0.000 0.000 3.834) 3.834 17.629 ( 0.000 0.000 3.834) 3.834 18.037 ( -0.000 -0.000 -4.974) 4.974 ======================= Grid point 74 (40/50) ======================= q-point: (-0.22 -0.22 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 0.000 0.000 -11.111) 11.111 2.224 ( -0.000 0.000 -6.124) 6.124 2.300 ( 0.000 -0.000 5.787) 5.787 2.308 ( -0.000 0.000 1.150) 1.150 2.534 ( 0.000 0.000 -7.254) 7.254 2.621 ( -0.000 0.000 2.000) 2.000 2.697 ( 0.000 0.000 6.934) 6.934 2.702 ( -0.000 -0.000 -2.528) 2.528 2.841 ( -0.000 -0.000 -6.634) 6.634 2.895 ( 0.000 -0.000 -0.139) 0.139 2.967 ( 0.000 0.000 -0.030) 0.030 2.994 ( 0.000 0.000 0.938) 0.938 3.039 ( 0.000 0.000 -1.553) 1.553 3.078 ( 0.000 0.000 -2.376) 2.376 3.079 ( 0.000 0.000 -2.494) 2.494 3.104 ( 0.000 0.000 -1.972) 1.972 3.194 ( 0.000 -0.000 1.921) 1.921 3.201 ( -0.000 0.000 2.504) 2.504 3.258 ( 0.000 0.000 3.088) 3.088 3.413 ( 0.000 0.000 0.896) 0.896 3.525 ( -0.000 0.000 -7.108) 7.108 3.590 ( 0.000 0.000 -2.447) 2.447 3.647 ( 0.000 0.000 2.551) 2.551 3.672 ( 0.000 -0.000 -14.082) 14.082 3.802 ( 0.000 0.000 -4.918) 4.918 3.856 ( -0.000 -0.000 -6.401) 6.401 3.859 ( 0.000 0.000 -0.265) 0.265 3.870 ( -0.000 0.000 -17.564) 17.564 3.995 ( 0.000 0.000 7.284) 7.284 4.072 ( 0.000 0.000 -13.317) 13.317 4.241 ( 0.000 0.000 11.650) 11.650 4.354 ( 0.000 0.000 6.769) 6.769 4.356 ( 0.000 0.000 -2.007) 2.007 4.440 ( 0.000 0.000 4.068) 4.068 4.494 ( 0.000 0.000 -0.540) 0.540 4.661 ( 0.000 0.000 1.267) 1.267 4.760 ( 0.000 0.000 1.682) 1.682 4.875 ( 0.000 0.000 -1.280) 1.280 4.938 ( -0.000 0.000 4.294) 4.294 5.054 ( 0.000 0.000 -0.845) 0.845 5.056 ( 0.000 -0.000 6.465) 6.465 5.073 ( 0.000 0.000 1.812) 1.812 5.138 ( 0.000 0.000 6.289) 6.289 5.224 ( 0.000 -0.000 -2.301) 2.301 5.262 ( 0.000 -0.000 -6.341) 6.341 5.331 ( -0.000 0.000 9.237) 9.237 5.468 ( 0.000 0.000 6.463) 6.463 5.775 ( 0.000 0.000 0.403) 0.403 6.051 ( 0.000 0.000 -3.967) 3.967 6.068 ( 0.000 0.000 -3.681) 3.681 6.078 ( 0.000 0.000 -1.289) 1.289 6.428 ( 0.000 0.000 0.588) 0.588 6.586 ( 0.000 0.000 1.415) 1.415 6.666 ( -0.000 -0.000 2.029) 2.029 6.673 ( 0.000 0.000 -1.992) 1.992 6.720 ( 0.000 0.000 2.160) 2.160 6.925 ( 0.000 -0.000 -2.887) 2.887 6.940 ( -0.000 0.000 0.501) 0.501 7.003 ( 0.000 0.000 4.373) 4.373 7.319 ( 0.000 0.000 1.040) 1.040 7.414 ( -0.000 0.000 0.086) 0.086 7.432 ( 0.000 -0.000 -9.847) 9.847 7.664 ( 0.000 0.000 13.290) 13.290 7.963 ( 0.000 0.000 -0.418) 0.418 7.995 ( 0.000 0.000 3.026) 3.026 8.183 ( -0.000 0.000 -3.802) 3.802 8.468 ( 0.000 0.000 0.238) 0.238 8.712 ( -0.000 -0.000 -6.756) 6.756 8.809 ( 0.000 -0.000 -6.978) 6.978 8.853 ( 0.000 0.000 7.421) 7.421 8.978 ( -0.000 0.000 7.016) 7.016 9.229 ( 0.000 -0.000 -8.335) 8.335 9.523 ( 0.000 0.000 -3.038) 3.038 9.541 ( -0.000 -0.000 -5.566) 5.566 9.623 ( 0.000 0.000 1.617) 1.617 9.945 ( 0.000 0.000 -3.823) 3.823 10.020 ( 0.000 0.000 10.854) 10.854 10.025 ( -0.000 -0.000 4.028) 4.028 10.378 ( 0.000 0.000 -1.570) 1.570 10.648 ( 0.000 -0.000 0.074) 0.074 10.785 ( 0.000 0.000 -5.423) 5.423 10.824 ( -0.000 0.000 -11.009) 11.009 10.981 ( 0.000 0.000 4.031) 4.031 11.128 ( 0.000 0.000 -0.543) 0.543 11.625 ( 0.000 -0.000 -15.331) 15.331 11.785 ( -0.000 0.000 14.600) 14.600 11.956 ( 0.000 -0.000 -7.983) 7.983 12.022 ( 0.000 0.000 21.867) 21.867 12.231 ( -0.000 -0.000 6.502) 6.502 12.242 ( 0.000 0.000 -12.486) 12.486 12.327 ( 0.000 0.000 -0.889) 0.889 12.495 ( 0.000 -0.000 11.674) 11.674 12.955 ( 0.000 0.000 -2.188) 2.188 13.023 ( 0.000 0.000 3.927) 3.927 13.268 ( 0.000 -0.000 -7.567) 7.567 13.754 ( 0.000 -0.000 6.661) 6.661 13.779 ( 0.000 0.000 -2.274) 2.274 13.852 ( 0.000 0.000 3.488) 3.488 14.351 ( 0.000 0.000 -7.922) 7.922 14.522 ( 0.000 -0.000 -8.329) 8.329 14.527 ( -0.000 0.000 -0.956) 0.956 14.581 ( -0.000 -0.000 5.099) 5.099 14.762 ( 0.000 0.000 4.448) 4.448 14.866 ( 0.000 0.000 15.492) 15.492 14.952 ( 0.000 0.000 -5.905) 5.905 15.102 ( 0.000 0.000 7.983) 7.983 15.896 ( 0.000 0.000 1.080) 1.080 16.885 ( 0.000 0.000 -9.656) 9.656 17.000 ( 0.000 0.000 2.905) 2.905 17.081 ( -0.000 0.000 10.081) 10.081 17.508 ( 0.000 0.000 -7.890) 7.890 17.653 ( 0.000 0.000 6.695) 6.695 17.678 ( -0.000 -0.000 -7.975) 7.975 17.805 ( 0.000 -0.000 4.029) 4.029 ======================= Grid point 81 (41/50) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 0.042 23.594 -0.000) 23.594 0.997 ( -4.810 25.819 -0.000) 26.263 1.746 ( 1.058 -7.169 0.000) 7.247 1.835 ( 6.942 37.546 -0.000) 38.182 2.071 ( -2.854 -7.592 0.000) 8.111 2.091 ( 0.827 2.281 -0.000) 2.426 2.196 ( -4.096 -9.066 0.000) 9.948 2.418 ( -2.146 -7.429 0.000) 7.732 2.444 ( 3.058 -8.379 0.000) 8.920 2.514 ( 1.074 -9.997 0.000) 10.055 2.649 ( 2.007 -2.534 0.000) 3.233 2.713 ( -0.520 -1.052 0.000) 1.173 2.799 ( 1.076 1.138 -0.000) 1.566 2.812 ( -0.841 7.061 -0.000) 7.111 2.878 ( 0.517 -0.758 0.000) 0.918 3.012 ( -0.021 4.442 -0.000) 4.442 3.117 ( -3.421 3.133 -0.000) 4.639 3.140 ( 0.522 -4.262 0.000) 4.293 3.236 ( -0.610 1.820 -0.000) 1.919 3.256 ( 0.656 -1.951 0.000) 2.058 3.370 ( 2.493 0.394 0.000) 2.524 3.536 ( 1.419 -0.518 0.000) 1.511 3.606 ( 0.405 1.077 -0.000) 1.150 3.655 ( -7.526 -3.297 -0.000) 8.216 3.719 ( -0.093 9.133 -0.000) 9.133 3.862 ( -5.787 -0.887 -0.000) 5.855 3.897 ( 0.168 0.944 -0.000) 0.959 3.983 ( 3.455 -0.822 0.000) 3.551 4.018 ( -0.015 -3.951 0.000) 3.951 4.142 ( -0.376 -0.577 0.000) 0.689 4.234 ( 2.399 -2.775 0.000) 3.669 4.254 ( 16.979 -3.016 0.000) 17.244 4.345 ( -1.778 0.579 -0.000) 1.870 4.346 ( -8.281 -3.399 -0.000) 8.951 4.627 ( -1.285 -4.456 0.000) 4.637 4.704 ( -0.864 5.861 -0.000) 5.924 4.845 ( 1.309 -4.203 0.000) 4.402 4.923 ( -2.410 -4.093 0.000) 4.750 4.976 ( 1.245 5.276 -0.000) 5.421 5.011 ( -5.273 -11.262 0.000) 12.435 5.200 ( 4.195 -1.919 0.000) 4.613 5.266 ( -1.238 -5.355 0.000) 5.497 5.373 ( 0.350 1.713 -0.000) 1.749 5.377 ( 1.528 -2.021 0.000) 2.534 5.406 ( -1.054 1.507 -0.000) 1.839 5.520 ( 0.475 -5.582 0.000) 5.602 5.701 ( 1.208 3.191 -0.000) 3.412 5.736 ( 0.663 5.278 -0.000) 5.319 5.736 ( -6.914 -2.468 -0.000) 7.341 5.851 ( 6.820 -2.297 0.000) 7.196 6.111 ( -0.865 -0.311 -0.000) 0.919 6.527 ( 2.233 3.489 -0.000) 4.142 6.619 ( -0.337 6.931 -0.000) 6.939 6.791 ( -5.007 -1.285 -0.000) 5.169 6.805 ( -0.126 -1.523 0.000) 1.528 6.875 ( -3.913 1.818 -0.000) 4.315 6.923 ( 3.438 -0.791 0.000) 3.528 7.012 ( 1.449 -1.186 0.000) 1.872 7.106 ( 0.857 -4.411 0.000) 4.493 7.288 ( -2.433 0.992 -0.000) 2.628 7.469 ( 4.555 -1.476 0.000) 4.789 7.606 ( 2.554 7.082 -0.000) 7.529 7.608 ( -3.522 -0.822 -0.000) 3.617 8.005 ( 0.080 -7.879 0.000) 7.880 8.251 ( -4.575 -5.938 0.000) 7.496 8.452 ( -0.905 5.331 -0.000) 5.407 8.488 ( 1.582 -13.403 0.000) 13.496 8.768 ( 4.108 8.774 -0.000) 9.688 8.800 ( 1.590 -2.901 0.000) 3.308 8.857 ( 0.874 -0.700 0.000) 1.120 8.958 ( -2.082 5.560 -0.000) 5.937 9.071 ( 0.715 -1.039 0.000) 1.261 9.110 ( 1.101 -6.251 0.000) 6.347 9.116 ( -1.721 -0.855 -0.000) 1.921 9.311 ( 0.939 2.472 -0.000) 2.644 9.619 ( 5.342 6.514 -0.000) 8.424 9.899 ( -2.005 -2.693 0.000) 3.357 10.234 ( -17.341 2.786 -0.000) 17.563 10.337 ( -0.839 8.316 -0.000) 8.358 10.481 ( 10.678 2.658 0.000) 11.004 10.538 ( -1.095 0.515 -0.000) 1.210 10.702 ( -0.014 4.584 -0.000) 4.584 10.797 ( 1.214 -3.183 0.000) 3.407 10.940 ( 0.359 -1.288 0.000) 1.337 11.368 ( 0.497 0.327 0.000) 0.595 11.505 ( -0.246 -0.160 -0.000) 0.293 11.547 ( 0.741 -14.271 0.000) 14.290 11.718 ( -0.360 -0.351 -0.000) 0.503 12.064 ( -0.150 9.935 -0.000) 9.937 12.396 ( -0.381 5.397 -0.000) 5.410 12.779 ( 7.427 1.467 0.000) 7.570 12.881 ( -8.541 -5.563 -0.000) 10.193 13.280 ( 0.027 0.468 -0.000) 0.469 13.333 ( -0.001 -0.685 0.000) 0.685 13.488 ( 2.439 -2.703 0.000) 3.641 13.719 ( -3.352 -5.058 0.000) 6.068 13.922 ( 4.304 -7.614 0.000) 8.747 14.016 ( 1.874 1.721 0.000) 2.545 14.147 ( -4.009 -2.592 -0.000) 4.774 14.400 ( -0.281 -0.467 0.000) 0.545 14.405 ( 0.276 -0.459 0.000) 0.536 14.494 ( 1.834 3.125 -0.000) 3.624 14.847 ( -0.097 2.351 -0.000) 2.353 15.243 ( -7.078 0.147 -0.000) 7.079 15.600 ( 7.012 12.078 -0.000) 13.966 16.015 ( -0.213 -2.735 0.000) 2.743 16.455 ( -0.751 7.983 -0.000) 8.019 16.921 ( 0.549 1.621 -0.000) 1.711 17.025 ( -0.517 -5.006 0.000) 5.032 17.144 ( -0.009 -5.683 0.000) 5.683 17.611 ( 2.220 -0.174 0.000) 2.227 17.741 ( -2.770 2.271 -0.000) 3.582 17.889 ( 0.562 -2.575 0.000) 2.636 18.075 ( -0.005 3.747 -0.000) 3.747 ======================= Grid point 82 (42/50) ======================= q-point: ( 0.25 -0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -9.054 9.399 -0.000) 13.051 1.452 ( -5.524 4.545 -0.000) 7.153 1.519 ( 7.567 22.196 -0.000) 23.450 1.642 ( -17.514 -15.139 -0.000) 23.150 2.165 ( 15.692 -3.551 0.000) 16.089 2.202 ( 7.628 -2.604 0.000) 8.060 2.219 ( 3.939 -16.005 0.000) 16.483 2.267 ( 12.074 -12.087 0.000) 17.084 2.442 ( -0.282 -0.977 0.000) 1.017 2.627 ( 2.899 3.110 -0.000) 4.251 2.656 ( 3.073 7.649 -0.000) 8.244 2.728 ( -15.347 -9.652 -0.000) 18.130 2.784 ( -3.357 2.624 -0.000) 4.261 2.849 ( -3.581 5.115 -0.000) 6.244 2.947 ( -7.196 -2.905 -0.000) 7.760 2.971 ( 3.231 10.385 -0.000) 10.875 3.024 ( -2.835 2.465 -0.000) 3.756 3.077 ( -1.134 2.366 -0.000) 2.624 3.210 ( -5.451 9.505 -0.000) 10.957 3.318 ( 4.008 -3.747 0.000) 5.487 3.343 ( -3.182 2.312 -0.000) 3.933 3.446 ( -4.066 6.040 -0.000) 7.281 3.567 ( -3.116 0.220 -0.000) 3.124 3.677 ( 4.548 7.226 -0.000) 8.538 3.779 ( -1.308 -4.433 0.000) 4.622 3.823 ( -5.422 5.489 -0.000) 7.716 3.886 ( -2.689 2.801 -0.000) 3.883 3.973 ( 0.348 -0.782 0.000) 0.856 4.046 ( 1.104 -2.735 0.000) 2.949 4.152 ( 1.528 -1.198 0.000) 1.942 4.181 ( 0.672 -2.646 0.000) 2.730 4.195 ( -1.489 -3.768 0.000) 4.052 4.363 ( 4.024 -2.827 0.000) 4.918 4.527 ( 5.367 -11.443 0.000) 12.639 4.562 ( 4.658 -2.454 0.000) 5.265 4.659 ( 9.501 -5.452 0.000) 10.955 4.778 ( -2.815 4.090 -0.000) 4.965 4.838 ( 4.056 -0.585 0.000) 4.098 4.939 ( 6.354 -4.332 0.000) 7.690 5.039 ( -1.688 -1.434 -0.000) 2.215 5.163 ( 1.011 -3.882 0.000) 4.012 5.225 ( 0.008 4.058 -0.000) 4.058 5.367 ( -2.671 -4.325 0.000) 5.083 5.404 ( -1.896 2.031 -0.000) 2.778 5.412 ( 3.759 0.304 0.000) 3.771 5.434 ( 0.320 0.102 0.000) 0.336 5.680 ( 1.399 2.411 -0.000) 2.787 5.724 ( -2.272 1.341 -0.000) 2.638 5.790 ( -3.733 3.238 -0.000) 4.941 5.852 ( 4.219 -8.216 0.000) 9.236 6.100 ( -1.062 1.692 -0.000) 1.997 6.574 ( -5.374 2.570 -0.000) 5.957 6.740 ( -3.000 3.420 -0.000) 4.549 6.782 ( 1.451 2.778 -0.000) 3.134 6.807 ( 0.501 2.327 -0.000) 2.380 6.817 ( -1.324 2.053 -0.000) 2.443 6.938 ( -2.692 -0.222 -0.000) 2.701 6.995 ( 4.123 -1.918 0.000) 4.547 7.028 ( -0.859 -2.738 0.000) 2.870 7.305 ( -0.965 5.097 -0.000) 5.188 7.411 ( -2.128 -2.678 0.000) 3.420 7.649 ( 6.914 -4.966 0.000) 8.512 7.813 ( -1.478 -9.044 0.000) 9.164 7.896 ( 11.640 -2.536 0.000) 11.913 8.109 ( 4.379 -2.536 0.000) 5.060 8.343 ( 6.066 -6.463 0.000) 8.864 8.471 ( -7.214 7.895 -0.000) 10.695 8.820 ( 1.503 0.117 0.000) 1.508 8.888 ( -10.510 5.552 -0.000) 11.886 8.893 ( -5.550 -5.629 0.000) 7.905 8.935 ( 3.678 3.603 0.000) 5.148 8.967 ( -1.817 4.287 -0.000) 4.656 9.086 ( 3.056 -0.411 0.000) 3.084 9.102 ( -1.643 0.779 -0.000) 1.818 9.335 ( -2.918 2.191 -0.000) 3.649 9.778 ( -3.065 -1.542 -0.000) 3.431 9.818 ( 7.153 -9.327 0.000) 11.754 10.204 ( 0.322 15.895 -0.000) 15.898 10.477 ( 0.405 -0.719 0.000) 0.825 10.572 ( 6.629 2.535 0.000) 7.097 10.606 ( 2.780 -10.660 0.000) 11.017 10.621 ( -1.130 -6.642 0.000) 6.738 10.816 ( -4.191 4.493 -0.000) 6.144 10.941 ( -0.311 -1.002 0.000) 1.049 11.354 ( 2.749 -2.731 0.000) 3.875 11.401 ( -1.731 2.890 -0.000) 3.369 11.457 ( -1.902 0.647 -0.000) 2.009 11.724 ( -0.709 1.195 -0.000) 1.389 12.193 ( -7.293 7.627 -0.000) 10.553 12.465 ( -6.616 6.595 -0.000) 9.341 12.660 ( 1.816 -3.148 0.000) 3.635 12.961 ( 10.774 -9.194 0.000) 14.164 13.304 ( 0.652 -0.884 0.000) 1.099 13.307 ( 0.943 -0.737 0.000) 1.197 13.423 ( -4.024 2.959 -0.000) 4.995 13.680 ( 6.266 0.254 0.000) 6.271 13.793 ( 1.782 -9.254 0.000) 9.424 14.047 ( -3.187 0.125 -0.000) 3.190 14.125 ( 2.948 1.967 0.000) 3.544 14.394 ( 0.094 0.112 -0.000) 0.147 14.401 ( 0.166 -0.367 0.000) 0.403 14.557 ( 1.627 -3.371 0.000) 3.744 14.878 ( -1.085 1.105 -0.000) 1.548 15.209 ( -4.247 8.485 -0.000) 9.489 15.815 ( -7.319 -1.408 -0.000) 7.453 15.910 ( 3.356 1.510 0.000) 3.680 16.546 ( -4.887 5.708 -0.000) 7.514 16.928 ( -0.821 -0.028 -0.000) 0.822 16.972 ( -0.156 1.058 -0.000) 1.070 17.095 ( 4.879 -5.062 0.000) 7.031 17.595 ( -0.079 -1.424 0.000) 1.426 17.764 ( -1.278 3.464 -0.000) 3.692 17.872 ( 2.520 -3.301 0.000) 4.153 18.110 ( -2.126 2.170 -0.000) 3.038 ======================= Grid point 86 (43/50) ======================= q-point: ( 0.49 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -3.186 17.462 10.333) 20.538 2.011 ( 12.741 -5.838 6.295) 15.364 2.100 ( -10.658 -7.442 5.110) 13.967 2.174 ( 1.495 -0.683 17.719) 17.796 2.286 ( -2.065 -0.674 15.916) 16.064 2.392 ( 0.603 0.830 21.453) 21.478 2.437 ( 1.742 -1.968 14.119) 14.361 2.519 ( -1.287 -0.644 9.737) 9.843 2.581 ( -1.163 7.278 -2.264) 7.711 2.598 ( -0.629 -0.808 7.063) 7.137 2.653 ( 1.011 -6.737 16.669) 18.007 2.709 ( 2.476 -6.236 -0.025) 6.709 2.925 ( 0.842 9.511 0.814) 9.583 3.003 ( -0.963 1.348 4.459) 4.757 3.033 ( 0.276 4.127 4.788) 6.327 3.116 ( -0.602 0.173 4.557) 4.599 3.135 ( 0.509 2.051 3.788) 4.338 3.213 ( 1.494 -2.676 6.276) 6.984 3.241 ( -1.021 6.823 -0.467) 6.915 3.321 ( -0.473 1.802 0.623) 1.965 3.383 ( 2.277 3.782 -3.306) 5.515 3.434 ( -3.987 -0.300 -6.033) 7.237 3.514 ( -0.599 1.506 0.564) 1.716 3.619 ( -1.926 1.466 -1.270) 2.734 3.744 ( -3.829 -4.678 -3.355) 6.914 3.819 ( 1.948 2.440 -2.444) 3.964 3.884 ( 2.798 4.467 -0.606) 5.305 3.922 ( 0.419 -2.626 -2.024) 3.342 3.973 ( -0.189 4.001 0.713) 4.069 4.121 ( 2.069 -4.404 -2.746) 5.587 4.147 ( 7.964 -0.273 -2.025) 8.222 4.195 ( -2.235 -3.197 0.664) 3.957 4.285 ( -6.048 -4.583 1.033) 7.658 4.425 ( 1.119 -6.953 1.517) 7.204 4.575 ( -0.572 -3.990 2.260) 4.621 4.612 ( -0.066 -5.205 0.007) 5.206 4.794 ( -1.376 1.111 -4.617) 4.944 4.840 ( -1.055 -3.039 0.804) 3.316 4.887 ( 1.781 -3.912 -1.486) 4.548 5.048 ( -0.120 1.798 0.538) 1.880 5.192 ( 1.423 4.073 1.854) 4.696 5.207 ( -0.430 0.455 -4.178) 4.224 5.261 ( -1.063 1.265 -2.486) 2.985 5.329 ( 0.127 0.348 0.870) 0.945 5.468 ( 2.231 -2.578 -4.357) 5.532 5.491 ( -2.359 -4.655 -2.510) 5.791 5.729 ( -0.011 2.561 0.144) 2.565 5.820 ( 0.309 0.091 6.650) 6.658 5.836 ( -0.425 0.037 3.817) 3.841 5.861 ( 0.747 -1.437 2.483) 2.965 6.064 ( -0.033 2.352 -4.314) 4.914 6.601 ( 0.099 -0.965 -0.493) 1.088 6.655 ( -0.635 2.485 -3.934) 4.697 6.696 ( 1.302 6.619 -4.542) 8.132 6.712 ( 0.655 -3.604 -3.640) 5.164 6.836 ( -5.796 -0.022 -3.506) 6.774 6.884 ( 4.910 -2.628 -2.564) 6.131 7.045 ( 0.571 0.987 2.129) 2.415 7.070 ( -1.319 -3.274 1.833) 3.977 7.335 ( -1.616 3.774 0.627) 4.153 7.387 ( 1.736 -0.347 -1.276) 2.182 7.504 ( 0.236 3.818 -1.393) 4.071 7.799 ( -2.004 4.865 2.195) 5.701 7.967 ( -3.656 -4.273 2.906) 6.329 8.019 ( 5.365 -3.584 -2.914) 7.079 8.200 ( 3.417 -10.384 0.764) 10.958 8.312 ( -6.502 0.117 -8.502) 10.704 8.427 ( 4.313 -5.855 -5.787) 9.294 8.670 ( -1.325 -7.280 -2.052) 7.679 8.921 ( 0.242 0.757 2.821) 2.931 9.121 ( 2.991 4.438 3.929) 6.640 9.195 ( -6.246 3.587 3.993) 8.235 9.203 ( 1.404 6.834 -0.280) 6.982 9.335 ( 2.872 -1.502 0.272) 3.253 9.489 ( -0.428 -7.070 2.961) 7.677 9.970 ( -0.610 5.632 7.325) 9.260 9.991 ( -0.179 1.399 8.771) 8.884 10.254 ( -6.990 8.270 1.849) 10.985 10.339 ( 5.082 2.139 2.026) 5.874 10.490 ( 0.871 -3.387 0.671) 3.561 10.864 ( 7.321 6.642 1.557) 10.007 10.951 ( 1.722 4.099 1.426) 4.669 10.996 ( -6.883 -2.008 8.497) 11.118 11.046 ( -2.534 -2.539 4.100) 5.447 11.211 ( 1.296 -7.928 -3.221) 8.655 11.475 ( -2.138 -0.326 5.527) 5.935 11.527 ( 2.351 -3.360 6.422) 7.620 11.959 ( -0.483 -0.626 7.976) 8.015 12.375 ( -0.328 7.051 2.709) 7.561 12.508 ( 2.615 2.779 -2.395) 4.505 12.652 ( -0.732 -6.799 -2.998) 7.467 12.878 ( -2.801 8.122 0.153) 8.593 13.118 ( 1.192 0.450 -6.624) 6.745 13.179 ( 0.565 0.573 -0.424) 0.910 13.335 ( -0.542 -2.143 -0.938) 2.401 13.709 ( 4.146 -4.075 -1.325) 5.962 13.767 ( -2.914 -9.133 3.983) 10.381 14.155 ( -2.974 8.386 -15.119) 17.543 14.274 ( 1.149 -1.359 -4.913) 5.226 14.314 ( 2.387 4.067 -2.485) 5.330 14.492 ( -1.742 -0.859 6.250) 6.545 14.571 ( -0.568 -4.508 2.307) 5.095 14.748 ( 1.268 -0.522 3.029) 3.325 15.110 ( -0.859 1.345 -7.564) 7.731 15.612 ( 0.825 6.173 -14.401) 15.690 15.676 ( -0.250 -0.678 -17.394) 17.409 16.230 ( 0.369 11.824 -9.925) 15.442 16.748 ( -2.076 -3.257 1.215) 4.049 16.845 ( 1.292 -8.789 -2.907) 9.347 16.992 ( 0.393 -6.765 5.165) 8.521 17.400 ( 0.169 -0.004 -6.666) 6.668 17.658 ( -0.289 2.819 -5.164) 5.891 17.710 ( 0.103 -2.419 -4.973) 5.531 18.072 ( -0.007 3.221 -1.252) 3.456 ======================= Grid point 90 (44/50) ======================= q-point: (-0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -0.000 -0.000 -6.728) 6.728 2.096 ( -0.000 -0.000 -6.728) 6.728 2.305 ( 0.000 0.000 4.708) 4.708 2.314 ( -0.000 -0.000 -2.821) 2.821 2.314 ( -0.000 -0.000 -2.821) 2.821 2.381 ( 0.000 0.000 2.581) 2.581 2.487 ( 0.000 0.000 7.749) 7.749 2.753 ( 0.000 0.000 7.838) 7.838 3.000 ( -0.000 -0.000 -1.222) 1.222 3.000 ( -0.000 -0.000 -1.222) 1.222 3.025 ( 0.000 0.000 12.417) 12.417 3.036 ( 0.000 0.000 0.126) 0.126 3.036 ( 0.000 0.000 0.126) 0.126 3.158 ( -0.000 -0.000 -2.221) 2.221 3.179 ( -0.000 -0.000 -1.207) 1.207 3.179 ( -0.000 -0.000 -1.207) 1.207 3.243 ( -0.000 -0.000 -3.029) 3.029 3.336 ( -0.000 -0.000 -4.829) 4.829 3.524 ( -0.000 -0.000 -2.293) 2.293 3.524 ( -0.000 -0.000 -2.293) 2.293 3.556 ( 0.000 0.000 14.048) 14.048 3.640 ( 0.000 0.000 7.643) 7.643 3.673 ( 0.000 0.000 6.327) 6.327 3.775 ( 0.000 0.000 2.087) 2.087 3.779 ( 0.000 0.000 10.596) 10.596 3.779 ( 0.000 0.000 10.596) 10.596 3.849 ( -0.000 -0.000 -5.202) 5.202 3.903 ( 0.000 0.000 6.135) 6.135 3.964 ( 0.000 0.000 4.469) 4.469 3.964 ( 0.000 0.000 4.469) 4.469 4.211 ( -0.000 -0.000 -12.932) 12.932 4.226 ( 0.000 0.000 5.114) 5.114 4.226 ( 0.000 0.000 5.114) 5.114 4.310 ( -0.000 -0.000 -4.077) 4.077 4.441 ( -0.000 -0.000 -3.079) 3.079 4.563 ( -0.000 -0.000 -4.180) 4.180 4.694 ( 0.000 0.000 4.508) 4.508 4.911 ( 0.000 0.000 3.043) 3.043 4.911 ( 0.000 0.000 3.043) 3.043 4.950 ( -0.000 -0.000 -4.636) 4.636 5.064 ( -0.000 -0.000 -12.783) 12.783 5.101 ( -0.000 -0.000 -5.637) 5.637 5.101 ( -0.000 -0.000 -5.637) 5.637 5.277 ( 0.000 0.000 0.215) 0.215 5.277 ( 0.000 0.000 0.215) 0.215 5.322 ( 0.000 0.000 11.428) 11.428 5.599 ( -0.000 -0.000 -8.410) 8.410 5.782 ( -0.000 -0.000 -2.137) 2.137 6.057 ( 0.000 0.000 1.793) 1.793 6.057 ( 0.000 0.000 1.793) 1.793 6.140 ( 0.000 0.000 1.659) 1.659 6.509 ( -0.000 -0.000 -3.827) 3.827 6.562 ( 0.000 0.000 0.411) 0.411 6.562 ( 0.000 0.000 0.411) 0.411 6.695 ( 0.000 0.000 4.734) 4.734 6.741 ( -0.000 -0.000 -1.091) 1.091 6.741 ( -0.000 -0.000 -1.091) 1.091 7.066 ( 0.000 0.000 0.021) 0.021 7.125 ( 0.000 0.000 0.099) 0.099 7.289 ( -0.000 -0.000 -3.167) 3.167 7.289 ( -0.000 -0.000 -3.167) 3.167 7.548 ( -0.000 -0.000 -10.259) 10.259 7.681 ( 0.000 0.000 2.501) 2.501 8.056 ( 0.000 0.000 1.176) 1.176 8.056 ( 0.000 0.000 1.176) 1.176 8.312 ( 0.000 0.000 8.117) 8.117 8.379 ( 0.000 0.000 8.629) 8.629 8.379 ( 0.000 0.000 8.629) 8.629 8.434 ( -0.000 -0.000 -3.527) 3.527 9.002 ( 0.000 0.000 0.696) 0.696 9.149 ( -0.000 -0.000 -4.534) 4.534 9.149 ( -0.000 -0.000 -4.534) 4.534 9.299 ( 0.000 0.000 0.708) 0.708 9.303 ( 0.000 0.000 0.209) 0.209 9.775 ( 0.000 0.000 19.419) 19.419 10.004 ( -0.000 -0.000 -17.932) 17.932 10.328 ( 0.000 0.000 0.252) 0.252 10.409 ( 0.000 0.000 1.986) 1.986 10.432 ( -0.000 -0.000 -4.025) 4.025 10.432 ( -0.000 -0.000 -4.025) 4.025 10.529 ( -0.000 -0.000 -3.156) 3.156 10.871 ( -0.000 -0.000 -3.603) 3.603 10.871 ( -0.000 -0.000 -3.603) 3.603 11.377 ( 0.000 0.000 8.359) 8.359 11.377 ( 0.000 0.000 8.359) 8.359 11.478 ( 0.000 0.000 2.908) 2.908 12.014 ( -0.000 -0.000 -4.919) 4.919 12.085 ( 0.000 0.000 0.239) 0.239 12.459 ( 0.000 0.000 3.177) 3.177 12.515 ( -0.000 -0.000 -2.232) 2.232 12.515 ( -0.000 -0.000 -2.232) 2.232 12.557 ( 0.000 0.000 1.301) 1.301 12.971 ( -0.000 -0.000 -13.721) 13.721 13.067 ( -0.000 -0.000 -7.164) 7.164 13.067 ( -0.000 -0.000 -7.164) 7.164 13.777 ( 0.000 0.000 4.359) 4.359 13.777 ( 0.000 0.000 4.359) 4.359 13.836 ( -0.000 -0.000 -7.968) 7.968 14.200 ( 0.000 0.000 1.666) 1.666 14.361 ( 0.000 0.000 18.551) 18.551 14.577 ( 0.000 0.000 4.162) 4.162 14.577 ( 0.000 0.000 4.162) 4.162 14.835 ( -0.000 -0.000 -5.658) 5.658 14.909 ( -0.000 -0.000 -15.753) 15.753 14.909 ( -0.000 -0.000 -15.753) 15.753 15.098 ( 0.000 0.000 6.112) 6.112 15.956 ( -0.000 -0.000 -9.344) 9.344 17.005 ( 0.000 0.000 5.659) 5.659 17.005 ( 0.000 0.000 5.659) 5.659 17.131 ( 0.000 0.000 5.525) 5.525 17.156 ( -0.000 -0.000 -3.864) 3.864 17.575 ( 0.000 0.000 1.027) 1.027 17.575 ( 0.000 0.000 1.027) 1.027 18.092 ( -0.000 -0.000 -1.079) 1.079 ======================= Grid point 106 (45/50) ======================= q-point: ( 0.43 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -3.660 20.590 5.659) 21.665 1.601 ( 0.185 16.677 27.410) 32.085 1.863 ( 1.961 -3.809 16.709) 17.250 1.951 ( 17.175 -4.790 8.448) 19.730 2.021 ( -15.644 -10.135 2.800) 18.849 2.117 ( -2.196 -4.555 14.603) 15.454 2.195 ( 0.326 -11.824 1.645) 11.942 2.294 ( 1.312 -14.267 11.483) 18.361 2.466 ( 0.334 -1.872 2.705) 3.306 2.578 ( -1.992 15.039 0.153) 15.171 2.626 ( 0.062 3.441 -1.794) 3.882 2.733 ( 3.380 -4.716 -1.061) 5.898 2.867 ( 0.293 5.583 5.807) 8.061 2.922 ( 0.337 8.787 0.223) 8.797 2.946 ( -0.555 2.939 3.650) 4.719 3.078 ( 1.850 0.375 1.793) 2.603 3.099 ( -0.624 -3.868 2.835) 4.836 3.116 ( -0.704 -0.768 0.139) 1.051 3.266 ( -1.880 8.842 -1.083) 9.105 3.294 ( -0.162 1.862 1.523) 2.411 3.444 ( 2.352 5.209 -2.120) 6.096 3.501 ( -0.758 -2.093 -0.150) 2.231 3.550 ( -0.305 0.016 -3.928) 3.940 3.648 ( -4.880 2.641 -1.602) 5.776 3.802 ( -5.665 -2.473 -2.618) 6.713 3.871 ( -0.702 6.804 -1.080) 6.925 3.891 ( 7.852 -1.369 -1.660) 8.141 3.953 ( -0.948 2.250 0.819) 2.575 3.974 ( 1.622 -1.006 -2.158) 2.881 4.137 ( 0.073 -3.271 0.755) 3.358 4.182 ( 0.477 -2.637 0.564) 2.738 4.194 ( 10.334 -1.147 -2.177) 10.623 4.280 ( -8.832 -4.295 -0.412) 9.830 4.369 ( 0.643 -3.032 3.508) 4.681 4.542 ( -0.440 -5.992 0.794) 6.061 4.623 ( -0.312 -12.924 -0.934) 12.961 4.837 ( 1.886 -0.501 -0.435) 1.999 4.838 ( -4.398 -3.026 -0.572) 5.369 4.898 ( 0.777 1.970 3.326) 3.943 5.049 ( 0.919 1.025 0.317) 1.413 5.121 ( 0.913 -0.991 0.698) 1.517 5.249 ( -1.928 2.852 -0.422) 3.468 5.316 ( 1.176 0.213 -2.580) 2.843 5.343 ( 0.270 -0.734 -2.878) 2.982 5.472 ( 2.483 -0.823 2.737) 3.785 5.498 ( -3.059 -3.584 2.631) 5.397 5.709 ( -1.201 0.916 1.242) 1.955 5.743 ( -0.203 -0.294 0.652) 0.744 5.781 ( 1.758 -4.142 1.490) 4.739 5.830 ( 0.420 2.816 0.883) 2.981 6.125 ( -0.120 0.938 -0.638) 1.141 6.612 ( 0.974 1.689 -0.668) 2.061 6.729 ( -0.066 5.283 -2.768) 5.965 6.755 ( -0.708 4.065 -2.014) 4.591 6.780 ( 0.025 -1.265 -2.795) 3.068 6.874 ( -3.593 -0.368 -0.423) 3.637 6.932 ( 2.955 0.852 -1.080) 3.259 7.000 ( 0.870 -0.759 1.779) 2.121 7.029 ( -0.791 -4.592 1.096) 4.787 7.331 ( -2.025 4.404 -0.208) 4.852 7.414 ( 2.721 -1.376 -1.341) 3.331 7.544 ( -0.946 -1.412 -2.128) 2.723 7.736 ( 2.041 4.501 3.033) 5.798 7.894 ( -2.090 -8.352 3.213) 9.189 8.085 ( -0.819 -5.824 -1.242) 6.011 8.224 ( 1.002 -10.149 -3.875) 10.910 8.499 ( -2.328 4.513 -7.547) 9.097 8.604 ( 4.375 0.237 -12.125) 12.893 8.745 ( -1.553 -5.935 -6.969) 9.284 8.875 ( 0.337 2.189 1.485) 2.667 9.054 ( 1.473 5.255 3.293) 6.374 9.101 ( -4.262 1.779 3.635) 5.878 9.162 ( 2.436 4.682 5.795) 7.838 9.276 ( 0.307 -3.062 7.079) 7.719 9.400 ( -0.184 -1.242 4.683) 4.848 9.802 ( 0.194 1.711 8.506) 8.679 9.855 ( 1.149 0.262 4.910) 5.049 10.267 ( -8.099 4.926 -3.742) 10.192 10.333 ( 4.274 -0.844 -2.509) 5.027 10.498 ( -0.317 -1.080 -0.662) 1.306 10.721 ( 6.638 2.382 11.158) 13.200 10.772 ( -4.014 -3.232 12.479) 13.501 10.901 ( 0.411 5.323 2.882) 6.067 10.962 ( -0.316 -0.796 3.234) 3.345 11.301 ( -0.359 -7.539 -3.911) 8.501 11.407 ( -1.789 2.980 0.393) 3.498 11.477 ( 1.924 -3.131 0.445) 3.702 11.806 ( -0.440 1.856 6.387) 6.666 12.313 ( -0.397 10.831 2.822) 11.200 12.532 ( 2.348 4.794 0.553) 5.367 12.709 ( -0.579 -6.530 -2.380) 6.974 12.809 ( -1.553 -2.094 4.449) 5.157 13.220 ( -0.294 -0.023 -4.146) 4.156 13.231 ( 0.328 -1.431 -5.050) 5.259 13.414 ( 0.746 0.035 -5.973) 6.020 13.685 ( -4.291 -5.496 3.863) 7.971 13.731 ( 4.445 -8.720 -0.610) 9.806 14.213 ( 0.118 4.565 9.216) 10.285 14.241 ( -0.590 2.055 10.438) 10.655 14.379 ( -2.123 1.073 -4.299) 4.913 14.395 ( 1.952 -1.031 -0.259) 2.223 14.524 ( 0.374 -2.324 1.482) 2.782 14.810 ( 0.140 0.274 -6.565) 6.572 15.237 ( -1.398 3.553 -4.987) 6.281 15.771 ( 2.891 8.211 -3.081) 9.235 15.893 ( -1.682 -3.709 -5.231) 6.630 16.474 ( -0.033 9.246 -12.057) 15.194 16.857 ( -0.422 -0.578 -9.808) 9.834 16.936 ( 0.005 -1.747 0.631) 1.858 16.956 ( 0.300 -7.895 -6.820) 10.437 17.529 ( 0.405 -0.475 -5.637) 5.672 17.750 ( -0.906 2.438 -3.749) 4.563 17.800 ( 0.551 -2.523 -3.682) 4.497 18.107 ( -0.009 2.444 -1.934) 3.117 ======================= Grid point 110 (46/50) ======================= q-point: ( 0.67 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 0.000 0.000 5.510) 5.510 2.063 ( 0.000 0.000 5.510) 5.510 2.159 ( 0.000 0.000 13.188) 13.188 2.197 ( 0.000 0.000 5.911) 5.911 2.469 ( -0.000 -0.000 -8.286) 8.286 2.469 ( -0.000 -0.000 -8.286) 8.286 2.509 ( -0.000 -0.000 -3.481) 3.481 2.601 ( 0.000 0.000 7.449) 7.449 2.750 ( 0.000 0.000 14.874) 14.874 2.907 ( 0.000 0.000 14.563) 14.563 2.907 ( 0.000 0.000 14.563) 14.563 3.026 ( -0.000 -0.000 -0.282) 0.282 3.026 ( -0.000 -0.000 -0.282) 0.282 3.054 ( 0.000 0.000 24.367) 24.367 3.181 ( 0.000 0.000 1.551) 1.551 3.208 ( 0.000 0.000 0.359) 0.359 3.208 ( 0.000 0.000 0.359) 0.359 3.345 ( 0.000 0.000 0.558) 0.558 3.347 ( 0.000 0.000 6.184) 6.184 3.428 ( 0.000 0.000 11.634) 11.634 3.428 ( 0.000 0.000 11.634) 11.634 3.506 ( 0.000 0.000 5.807) 5.807 3.578 ( 0.000 0.000 0.015) 0.015 3.596 ( -0.000 -0.000 -1.795) 1.795 3.596 ( -0.000 -0.000 -1.795) 1.795 3.769 ( -0.000 -0.000 -0.873) 0.873 3.853 ( 0.000 0.000 0.121) 0.121 3.953 ( -0.000 -0.000 -0.905) 0.905 3.953 ( -0.000 -0.000 -0.905) 0.905 3.962 ( -0.000 -0.000 -5.663) 5.663 4.169 ( 0.000 0.000 1.450) 1.450 4.169 ( 0.000 0.000 1.450) 1.450 4.290 ( 0.000 0.000 3.356) 3.356 4.307 ( -0.000 -0.000 -0.537) 0.537 4.570 ( -0.000 -0.000 -3.259) 3.259 4.618 ( 0.000 0.000 1.205) 1.205 4.679 ( -0.000 -0.000 -7.321) 7.321 4.849 ( 0.000 0.000 2.800) 2.800 4.849 ( 0.000 0.000 2.800) 2.800 5.071 ( -0.000 -0.000 -6.192) 6.192 5.130 ( 0.000 0.000 5.953) 5.953 5.219 ( -0.000 -0.000 -4.040) 4.040 5.219 ( -0.000 -0.000 -4.040) 4.040 5.325 ( -0.000 -0.000 -8.505) 8.505 5.326 ( -0.000 -0.000 -5.625) 5.625 5.326 ( -0.000 -0.000 -5.625) 5.625 5.721 ( -0.000 -0.000 -3.795) 3.795 5.814 ( -0.000 -0.000 -1.915) 1.915 5.967 ( 0.000 0.000 6.858) 6.858 5.967 ( 0.000 0.000 6.858) 6.858 6.083 ( 0.000 0.000 2.716) 2.716 6.589 ( -0.000 -0.000 -3.142) 3.142 6.589 ( -0.000 -0.000 -3.142) 3.142 6.624 ( -0.000 -0.000 -7.732) 7.732 6.626 ( 0.000 0.000 2.399) 2.399 6.787 ( -0.000 -0.000 -3.036) 3.036 6.787 ( -0.000 -0.000 -3.036) 3.036 7.067 ( 0.000 0.000 0.619) 0.619 7.107 ( 0.000 0.000 1.638) 1.638 7.347 ( -0.000 -0.000 -2.388) 2.388 7.347 ( -0.000 -0.000 -2.388) 2.388 7.609 ( 0.000 0.000 4.169) 4.169 7.758 ( -0.000 -0.000 -10.696) 10.696 8.021 ( 0.000 0.000 3.881) 3.881 8.021 ( 0.000 0.000 3.881) 3.881 8.148 ( 0.000 0.000 7.176) 7.176 8.268 ( 0.000 0.000 0.744) 0.744 8.268 ( 0.000 0.000 0.744) 0.744 8.504 ( -0.000 -0.000 -3.481) 3.481 8.970 ( 0.000 0.000 2.233) 2.233 9.238 ( -0.000 -0.000 -4.158) 4.158 9.238 ( -0.000 -0.000 -4.158) 4.158 9.289 ( 0.000 0.000 2.419) 2.419 9.298 ( 0.000 0.000 0.316) 0.316 9.471 ( 0.000 0.000 9.805) 9.805 10.170 ( 0.000 0.000 2.000) 2.000 10.184 ( 0.000 0.000 9.269) 9.269 10.420 ( 0.000 0.000 3.846) 3.846 10.420 ( 0.000 0.000 3.846) 3.846 10.452 ( -0.000 -0.000 -1.980) 1.980 10.764 ( -0.000 -0.000 -18.328) 18.328 10.943 ( -0.000 -0.000 -1.971) 1.971 10.943 ( -0.000 -0.000 -1.971) 1.971 11.216 ( 0.000 0.000 7.606) 7.606 11.216 ( 0.000 0.000 7.606) 7.606 11.447 ( 0.000 0.000 0.770) 0.770 11.788 ( 0.000 0.000 18.047) 18.047 12.045 ( 0.000 0.000 1.779) 1.779 12.456 ( -0.000 -0.000 -2.160) 2.160 12.526 ( 0.000 0.000 0.240) 0.240 12.526 ( 0.000 0.000 0.240) 0.240 12.839 ( -0.000 -0.000 -15.463) 15.463 13.172 ( -0.000 -0.000 -5.453) 5.453 13.173 ( -0.000 -0.000 -2.485) 2.485 13.173 ( -0.000 -0.000 -2.485) 2.485 13.714 ( 0.000 0.000 2.231) 2.231 13.714 ( 0.000 0.000 2.231) 2.231 13.984 ( -0.000 -0.000 -8.568) 8.568 14.144 ( 0.000 0.000 1.282) 1.282 14.256 ( -0.000 -0.000 -7.081) 7.081 14.538 ( 0.000 0.000 0.526) 0.526 14.538 ( 0.000 0.000 0.526) 0.526 14.913 ( 0.000 0.000 10.932) 10.932 14.968 ( -0.000 -0.000 -7.571) 7.571 15.273 ( -0.000 -0.000 -20.748) 20.748 15.273 ( -0.000 -0.000 -20.748) 20.748 16.161 ( -0.000 -0.000 -10.937) 10.937 16.846 ( 0.000 0.000 9.471) 9.471 16.846 ( 0.000 0.000 9.471) 9.471 17.019 ( 0.000 0.000 5.485) 5.485 17.264 ( -0.000 -0.000 -6.569) 6.569 17.599 ( -0.000 -0.000 -3.264) 3.264 17.599 ( -0.000 -0.000 -3.264) 3.264 18.098 ( 0.000 0.000 0.101) 0.101 ======================= Grid point 129 (47/50) ======================= q-point: ( 0.37 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -0.097 22.307 -0.000) 22.307 1.442 ( -3.786 21.901 -0.000) 22.226 1.641 ( 0.846 -3.957 0.000) 4.046 1.910 ( 19.267 -6.237 0.000) 20.251 1.951 ( -1.909 -5.897 0.000) 6.198 1.997 ( -16.860 -10.821 -0.000) 20.034 2.172 ( 1.285 -16.713 0.000) 16.763 2.182 ( 0.640 -12.155 0.000) 12.172 2.442 ( 0.281 -1.322 0.000) 1.351 2.577 ( -1.981 17.596 -0.000) 17.708 2.645 ( 0.261 2.653 -0.000) 2.666 2.746 ( 3.344 -4.716 0.000) 5.782 2.803 ( 0.164 7.209 -0.000) 7.211 2.907 ( -0.370 3.208 -0.000) 3.229 2.922 ( 0.490 8.972 -0.000) 8.985 3.049 ( 0.141 -5.634 0.000) 5.635 3.077 ( 1.230 2.204 -0.000) 2.524 3.121 ( -1.308 -2.058 0.000) 2.438 3.276 ( -0.104 2.112 -0.000) 2.115 3.278 ( -2.043 9.042 -0.000) 9.270 3.464 ( 2.884 5.066 -0.000) 5.829 3.502 ( -0.941 -2.615 0.000) 2.779 3.590 ( 0.239 -0.671 0.000) 0.712 3.668 ( -5.397 3.593 -0.000) 6.483 3.836 ( -5.840 -2.926 -0.000) 6.532 3.869 ( 0.155 7.330 -0.000) 7.332 3.929 ( 5.939 -1.479 0.000) 6.120 3.936 ( -0.477 2.938 -0.000) 2.977 4.000 ( 2.646 -1.269 0.000) 2.934 4.116 ( 0.685 -3.161 0.000) 3.234 4.175 ( 0.257 -2.722 0.000) 2.734 4.219 ( 9.332 -2.266 0.000) 9.603 4.293 ( -7.445 -2.396 -0.000) 7.821 4.321 ( -0.534 -2.511 0.000) 2.568 4.536 ( -0.213 -5.854 0.000) 5.858 4.636 ( -0.392 -16.219 0.000) 16.223 4.812 ( -0.550 5.288 -0.000) 5.316 4.847 ( -4.291 -2.939 -0.000) 5.201 4.861 ( 2.754 -3.751 0.000) 4.653 5.037 ( 1.221 0.456 0.000) 1.303 5.143 ( 0.853 -2.514 0.000) 2.655 5.250 ( -2.134 4.257 -0.000) 4.761 5.347 ( 2.916 -1.313 0.000) 3.198 5.416 ( -1.127 -5.319 0.000) 5.437 5.421 ( -0.193 1.901 -0.000) 1.911 5.429 ( -0.023 0.919 -0.000) 0.919 5.702 ( -3.721 -1.240 -0.000) 3.922 5.742 ( 0.307 1.405 -0.000) 1.439 5.766 ( 3.639 -6.061 0.000) 7.070 5.822 ( 0.151 3.531 -0.000) 3.534 6.117 ( -0.141 1.109 -0.000) 1.118 6.619 ( 1.378 4.957 -0.000) 5.145 6.754 ( -0.043 7.143 -0.000) 7.143 6.781 ( -2.498 1.005 -0.000) 2.693 6.810 ( -0.016 0.227 -0.000) 0.227 6.874 ( -1.178 -0.937 -0.000) 1.505 6.926 ( 0.749 -0.415 0.000) 0.856 6.983 ( 0.552 -0.373 0.000) 0.666 7.032 ( 0.560 -3.141 0.000) 3.191 7.335 ( -2.187 4.251 -0.000) 4.780 7.429 ( 3.135 -2.153 0.000) 3.804 7.568 ( -1.364 -3.782 0.000) 4.020 7.703 ( 2.226 3.830 -0.000) 4.430 7.860 ( -1.701 -8.746 0.000) 8.910 8.087 ( -0.419 -8.906 0.000) 8.916 8.284 ( 0.089 -7.761 0.000) 7.761 8.561 ( -0.367 5.756 -0.000) 5.767 8.809 ( -1.644 3.183 -0.000) 3.583 8.851 ( 3.171 0.217 0.000) 3.179 8.949 ( 1.068 8.809 -0.000) 8.873 8.982 ( -0.600 -7.090 0.000) 7.115 9.023 ( 1.701 1.555 0.000) 2.305 9.060 ( -2.956 -0.738 -0.000) 3.047 9.115 ( 0.369 1.345 -0.000) 1.395 9.363 ( 0.239 2.786 -0.000) 2.796 9.702 ( -0.005 -2.454 0.000) 2.454 9.806 ( 2.164 0.337 0.000) 2.190 10.340 ( -14.365 5.967 -0.000) 15.556 10.448 ( -0.253 4.057 -0.000) 4.065 10.465 ( 11.728 -4.266 0.000) 12.480 10.543 ( -1.464 -0.403 -0.000) 1.519 10.613 ( 1.340 -8.078 0.000) 8.188 10.869 ( -0.415 6.077 -0.000) 6.091 10.931 ( 0.769 0.095 0.000) 0.774 11.340 ( -0.095 -7.339 0.000) 7.340 11.416 ( -0.635 3.339 -0.000) 3.398 11.478 ( 0.690 -2.417 0.000) 2.514 11.739 ( -0.204 2.345 -0.000) 2.353 12.282 ( -0.319 13.166 -0.000) 13.170 12.510 ( 0.498 6.540 -0.000) 6.559 12.734 ( 1.768 -6.379 0.000) 6.620 12.765 ( -1.987 -6.344 0.000) 6.648 13.285 ( 0.017 0.147 -0.000) 0.148 13.307 ( -0.007 -1.816 0.000) 1.816 13.482 ( 0.665 1.784 -0.000) 1.904 13.632 ( -3.852 -3.767 -0.000) 5.387 13.730 ( 3.697 -10.781 0.000) 11.397 14.075 ( 2.034 3.660 -0.000) 4.188 14.122 ( -2.706 -0.588 -0.000) 2.769 14.395 ( -0.183 -0.144 -0.000) 0.233 14.398 ( 0.181 -0.308 0.000) 0.357 14.523 ( 0.597 -0.419 0.000) 0.730 14.887 ( -0.002 1.609 -0.000) 1.609 15.289 ( -1.580 4.685 -0.000) 4.944 15.794 ( 2.593 8.136 -0.000) 8.539 15.938 ( -1.071 -5.231 0.000) 5.339 16.603 ( -0.344 7.359 -0.000) 7.367 16.937 ( 0.163 -0.093 0.000) 0.187 16.978 ( -0.100 -0.059 -0.000) 0.116 17.040 ( 0.030 -5.328 0.000) 5.328 17.590 ( 0.492 -1.098 0.000) 1.203 17.790 ( -1.219 2.225 -0.000) 2.537 17.839 ( 0.769 -2.559 0.000) 2.672 18.130 ( -0.017 2.110 -0.000) 2.110 ======================= Grid point 133 (48/50) ======================= q-point: ( 0.61 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 0.000 0.000 10.439) 10.439 1.950 ( 0.000 0.000 5.407) 5.407 1.950 ( 0.000 0.000 5.407) 5.407 2.087 ( 0.000 0.000 4.852) 4.852 2.399 ( 0.000 0.000 14.382) 14.382 2.401 ( 0.000 0.000 26.459) 26.459 2.401 ( 0.000 0.000 26.459) 26.459 2.498 ( 0.000 0.000 25.259) 25.259 2.526 ( 0.000 0.000 5.908) 5.908 2.583 ( -0.000 -0.000 -0.096) 0.096 2.630 ( -0.000 -0.000 -1.759) 1.759 2.630 ( -0.000 -0.000 -1.759) 1.759 3.018 ( 0.000 0.000 1.586) 1.586 3.018 ( 0.000 0.000 1.586) 1.586 3.118 ( 0.000 0.000 4.024) 4.024 3.118 ( 0.000 0.000 4.024) 4.024 3.154 ( 0.000 0.000 1.671) 1.671 3.163 ( 0.000 0.000 10.071) 10.071 3.338 ( 0.000 0.000 0.926) 0.926 3.420 ( 0.000 0.000 2.762) 2.762 3.424 ( -0.000 -0.000 -4.694) 4.694 3.424 ( -0.000 -0.000 -4.694) 4.694 3.619 ( -0.000 -0.000 -2.289) 2.289 3.641 ( -0.000 -0.000 -2.561) 2.561 3.641 ( -0.000 -0.000 -2.561) 2.561 3.806 ( -0.000 -0.000 -2.663) 2.663 3.875 ( -0.000 -0.000 -2.120) 2.120 3.972 ( -0.000 -0.000 -0.763) 0.763 3.972 ( -0.000 -0.000 -0.763) 0.763 4.058 ( -0.000 -0.000 -3.717) 3.717 4.159 ( -0.000 -0.000 -0.414) 0.414 4.159 ( -0.000 -0.000 -0.414) 0.414 4.221 ( 0.000 0.000 3.369) 3.369 4.306 ( 0.000 0.000 0.286) 0.286 4.528 ( 0.000 0.000 3.280) 3.280 4.601 ( 0.000 0.000 3.500) 3.500 4.812 ( 0.000 0.000 0.803) 0.803 4.812 ( 0.000 0.000 0.803) 0.803 4.834 ( -0.000 -0.000 -7.833) 7.833 5.062 ( 0.000 0.000 0.163) 0.163 5.221 ( -0.000 -0.000 -6.503) 6.503 5.272 ( -0.000 -0.000 -2.189) 2.189 5.272 ( -0.000 -0.000 -2.189) 2.189 5.305 ( 0.000 0.000 8.947) 8.947 5.438 ( -0.000 -0.000 -4.082) 4.082 5.438 ( -0.000 -0.000 -4.082) 4.082 5.757 ( -0.000 -0.000 -0.344) 0.344 5.819 ( 0.000 0.000 7.257) 7.257 5.819 ( 0.000 0.000 7.257) 7.257 5.857 ( -0.000 -0.000 -1.104) 1.104 6.088 ( -0.000 -0.000 -3.250) 3.250 6.600 ( 0.000 0.000 0.036) 0.036 6.672 ( -0.000 -0.000 -4.844) 4.844 6.672 ( -0.000 -0.000 -4.844) 4.844 6.794 ( -0.000 -0.000 -8.870) 8.870 6.842 ( -0.000 -0.000 -2.166) 2.166 6.842 ( -0.000 -0.000 -2.166) 2.166 7.024 ( 0.000 0.000 3.788) 3.788 7.067 ( 0.000 0.000 2.249) 2.249 7.380 ( -0.000 -0.000 -1.100) 1.100 7.380 ( -0.000 -0.000 -1.100) 1.100 7.538 ( 0.000 0.000 2.694) 2.694 7.902 ( 0.000 0.000 6.818) 6.818 7.902 ( 0.000 0.000 6.818) 6.818 7.960 ( -0.000 -0.000 -9.613) 9.613 8.056 ( 0.000 0.000 2.483) 2.483 8.364 ( -0.000 -0.000 -9.479) 9.479 8.364 ( -0.000 -0.000 -9.479) 9.479 8.567 ( -0.000 -0.000 -2.826) 2.826 8.926 ( 0.000 0.000 2.024) 2.024 9.195 ( 0.000 0.000 5.225) 5.225 9.249 ( 0.000 0.000 5.122) 5.122 9.293 ( -0.000 -0.000 -0.677) 0.677 9.293 ( -0.000 -0.000 -0.677) 0.677 9.377 ( 0.000 0.000 1.690) 1.690 10.014 ( 0.000 0.000 7.444) 7.444 10.035 ( 0.000 0.000 10.411) 10.411 10.332 ( 0.000 0.000 3.989) 3.989 10.332 ( 0.000 0.000 3.989) 3.989 10.476 ( -0.000 -0.000 -0.819) 0.819 10.920 ( 0.000 0.000 4.420) 4.420 10.920 ( 0.000 0.000 4.420) 4.420 11.067 ( 0.000 0.000 7.817) 7.817 11.067 ( 0.000 0.000 7.817) 7.817 11.079 ( -0.000 -0.000 -11.941) 11.941 11.436 ( 0.000 0.000 0.295) 0.295 11.518 ( 0.000 0.000 8.765) 8.765 11.961 ( 0.000 0.000 6.256) 6.256 12.489 ( -0.000 -0.000 -0.334) 0.334 12.536 ( -0.000 -0.000 -1.632) 1.632 12.536 ( -0.000 -0.000 -1.632) 1.632 12.949 ( 0.000 0.000 3.942) 3.942 13.183 ( 0.000 0.000 0.093) 0.093 13.183 ( 0.000 0.000 0.093) 0.093 13.257 ( -0.000 -0.000 -6.219) 6.219 13.675 ( 0.000 0.000 1.986) 1.986 13.675 ( 0.000 0.000 1.986) 1.986 14.213 ( -0.000 -0.000 -12.403) 12.403 14.260 ( -0.000 -0.000 -8.907) 8.907 14.431 ( -0.000 -0.000 -8.871) 8.871 14.482 ( 0.000 0.000 6.810) 6.810 14.482 ( 0.000 0.000 6.810) 6.810 14.736 ( 0.000 0.000 4.673) 4.673 15.128 ( -0.000 -0.000 -8.516) 8.516 15.667 ( -0.000 -0.000 -16.402) 16.402 15.667 ( -0.000 -0.000 -16.402) 16.402 16.379 ( -0.000 -0.000 -11.250) 11.250 16.721 ( 0.000 0.000 0.361) 0.361 16.721 ( 0.000 0.000 0.361) 0.361 16.935 ( 0.000 0.000 2.484) 2.484 17.401 ( -0.000 -0.000 -7.045) 7.045 17.685 ( -0.000 -0.000 -4.906) 4.906 17.685 ( -0.000 -0.000 -4.906) 4.906 18.102 ( -0.000 -0.000 -0.806) 0.806 ======================= Grid point 156 (49/50) ======================= q-point: ( 0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 0.000 0.000 5.621) 5.621 1.818 ( 0.000 0.000 14.284) 14.284 1.818 ( 0.000 0.000 14.284) 14.284 1.921 ( 0.000 0.000 11.356) 11.356 1.921 ( 0.000 0.000 11.356) 11.356 2.015 ( 0.000 0.000 2.397) 2.397 2.019 ( 0.000 0.000 19.381) 19.381 2.134 ( 0.000 0.000 10.863) 10.863 2.452 ( 0.000 0.000 2.259) 2.259 2.620 ( -0.000 -0.000 -1.518) 1.518 2.677 ( -0.000 -0.000 -1.650) 1.650 2.677 ( -0.000 -0.000 -1.650) 1.650 2.965 ( 0.000 0.000 2.777) 2.777 2.965 ( 0.000 0.000 2.777) 2.777 2.997 ( 0.000 0.000 6.244) 6.244 3.088 ( 0.000 0.000 0.088) 0.088 3.088 ( 0.000 0.000 0.088) 0.088 3.122 ( 0.000 0.000 1.365) 1.365 3.312 ( 0.000 0.000 1.304) 1.304 3.391 ( 0.000 0.000 0.508) 0.508 3.493 ( -0.000 -0.000 -1.948) 1.948 3.493 ( -0.000 -0.000 -1.948) 1.948 3.651 ( -0.000 -0.000 -1.047) 1.047 3.703 ( -0.000 -0.000 -3.369) 3.369 3.703 ( -0.000 -0.000 -3.369) 3.369 3.857 ( -0.000 -0.000 -2.096) 2.096 3.933 ( -0.000 -0.000 -3.826) 3.826 3.977 ( 0.000 0.000 0.196) 0.196 3.977 ( 0.000 0.000 0.196) 0.196 4.093 ( 0.000 0.000 0.657) 0.657 4.166 ( 0.000 0.000 1.893) 1.893 4.178 ( -0.000 -0.000 -1.169) 1.169 4.178 ( -0.000 -0.000 -1.169) 1.169 4.299 ( 0.000 0.000 0.535) 0.535 4.460 ( 0.000 0.000 3.053) 3.053 4.544 ( 0.000 0.000 1.550) 1.550 4.813 ( -0.000 -0.000 -0.581) 0.581 4.813 ( -0.000 -0.000 -0.581) 0.581 4.931 ( 0.000 0.000 1.168) 1.168 5.054 ( 0.000 0.000 1.128) 1.128 5.121 ( 0.000 0.000 4.411) 4.411 5.311 ( -0.000 -0.000 -1.600) 1.600 5.311 ( -0.000 -0.000 -1.600) 1.600 5.320 ( -0.000 -0.000 -3.382) 3.382 5.462 ( 0.000 0.000 1.286) 1.286 5.462 ( 0.000 0.000 1.286) 1.286 5.715 ( 0.000 0.000 2.908) 2.908 5.715 ( 0.000 0.000 2.908) 2.908 5.756 ( 0.000 0.000 0.147) 0.147 5.859 ( 0.000 0.000 0.288) 0.288 6.138 ( -0.000 -0.000 -0.589) 0.589 6.631 ( -0.000 -0.000 -2.875) 2.875 6.760 ( -0.000 -0.000 -3.592) 3.592 6.760 ( -0.000 -0.000 -3.592) 3.592 6.865 ( -0.000 -0.000 -0.268) 0.268 6.865 ( -0.000 -0.000 -0.268) 0.268 6.932 ( 0.000 0.000 4.825) 4.825 6.945 ( -0.000 -0.000 -5.760) 5.760 7.026 ( 0.000 0.000 1.665) 1.665 7.398 ( -0.000 -0.000 -0.773) 0.773 7.398 ( -0.000 -0.000 -0.773) 0.773 7.506 ( 0.000 0.000 0.664) 0.664 7.787 ( 0.000 0.000 4.385) 4.385 7.787 ( 0.000 0.000 4.385) 4.385 8.022 ( 0.000 0.000 1.367) 1.367 8.129 ( -0.000 -0.000 -7.199) 7.199 8.611 ( -0.000 -0.000 -1.540) 1.540 8.613 ( -0.000 -0.000 -15.136) 15.136 8.613 ( -0.000 -0.000 -15.136) 15.136 8.894 ( 0.000 0.000 1.245) 1.245 9.113 ( 0.000 0.000 7.316) 7.316 9.134 ( 0.000 0.000 0.827) 0.827 9.227 ( 0.000 0.000 7.983) 7.983 9.227 ( 0.000 0.000 7.983) 7.983 9.366 ( -0.000 -0.000 -0.746) 0.746 9.794 ( 0.000 0.000 12.758) 12.758 9.899 ( 0.000 0.000 4.125) 4.125 10.308 ( -0.000 -0.000 -2.498) 2.498 10.308 ( -0.000 -0.000 -2.498) 2.498 10.490 ( -0.000 -0.000 -0.554) 0.554 10.737 ( 0.000 0.000 13.270) 13.270 10.737 ( 0.000 0.000 13.270) 13.270 10.958 ( 0.000 0.000 2.780) 2.780 10.958 ( 0.000 0.000 2.780) 2.780 11.234 ( -0.000 -0.000 -4.458) 4.458 11.439 ( 0.000 0.000 0.163) 0.163 11.440 ( -0.000 -0.000 -0.596) 0.596 11.832 ( 0.000 0.000 5.804) 5.804 12.481 ( 0.000 0.000 0.571) 0.571 12.582 ( -0.000 -0.000 -2.379) 2.379 12.582 ( -0.000 -0.000 -2.379) 2.379 12.784 ( 0.000 0.000 9.793) 9.793 13.217 ( -0.000 -0.000 -3.960) 3.960 13.217 ( -0.000 -0.000 -3.960) 3.960 13.426 ( -0.000 -0.000 -8.985) 8.985 13.633 ( 0.000 0.000 2.362) 2.362 13.633 ( 0.000 0.000 2.362) 2.362 14.271 ( 0.000 0.000 12.619) 12.619 14.271 ( 0.000 0.000 12.619) 12.619 14.375 ( -0.000 -0.000 -3.545) 3.545 14.381 ( -0.000 -0.000 -2.650) 2.650 14.500 ( -0.000 -0.000 -0.112) 0.112 14.810 ( -0.000 -0.000 -8.205) 8.205 15.284 ( -0.000 -0.000 -6.501) 6.501 15.849 ( -0.000 -0.000 -3.340) 3.340 15.849 ( -0.000 -0.000 -3.340) 3.340 16.587 ( -0.000 -0.000 -8.894) 8.894 16.853 ( -0.000 -0.000 -10.482) 10.482 16.853 ( -0.000 -0.000 -10.482) 10.482 16.925 ( -0.000 -0.000 -0.953) 0.953 17.526 ( -0.000 -0.000 -5.139) 5.139 17.773 ( -0.000 -0.000 -3.606) 3.606 17.773 ( -0.000 -0.000 -3.606) 3.606 18.129 ( -0.000 -0.000 -1.653) 1.653 ======================= Grid point 179 (50/50) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 0.000 0.000 0.000) 0.000 1.604 ( -0.000 0.000 -0.000) 0.000 1.708 ( -0.000 0.000 -0.000) 0.000 1.813 ( 0.000 0.000 -0.000) 0.000 1.861 ( 0.000 0.000 -0.000) 0.000 1.861 ( 0.000 0.000 -0.000) 0.000 1.994 ( 0.000 0.000 -0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 -0.000) 0.000 2.636 ( -0.000 0.000 -0.000) 0.000 2.692 ( -0.000 0.000 -0.000) 0.000 2.692 ( -0.000 0.000 -0.000) 0.000 2.933 ( 0.000 0.000 -0.000) 0.000 2.936 ( -0.000 -0.000 0.000) 0.000 2.936 ( -0.000 0.000 -0.000) 0.000 3.090 ( -0.000 -0.000 -0.000) 0.000 3.090 ( -0.000 0.000 -0.000) 0.000 3.107 ( 0.000 -0.000 0.000) 0.000 3.298 ( 0.000 0.000 -0.000) 0.000 3.388 ( 0.000 0.000 -0.000) 0.000 3.510 ( -0.000 0.000 -0.000) 0.000 3.510 ( 0.000 0.000 -0.000) 0.000 3.662 ( -0.000 0.000 -0.000) 0.000 3.743 ( 0.000 -0.000 0.000) 0.000 3.743 ( -0.000 0.000 -0.000) 0.000 3.878 ( 0.000 0.000 -0.000) 0.000 3.973 ( -0.000 0.000 -0.000) 0.000 3.973 ( 0.000 0.000 -0.000) 0.000 4.009 ( 0.000 0.000 -0.000) 0.000 4.043 ( -0.000 -0.000 -0.000) 0.000 4.151 ( 0.000 0.000 -0.000) 0.000 4.192 ( -0.000 -0.000 0.000) 0.000 4.192 ( -0.000 0.000 -0.000) 0.000 4.290 ( 0.000 0.000 -0.000) 0.000 4.430 ( 0.000 0.000 -0.000) 0.000 4.531 ( 0.000 0.000 -0.000) 0.000 4.821 ( -0.000 0.000 -0.000) 0.000 4.821 ( 0.000 0.000 -0.000) 0.000 4.866 ( -0.000 0.000 -0.000) 0.000 5.036 ( 0.000 0.000 -0.000) 0.000 5.121 ( -0.000 0.000 -0.000) 0.000 5.328 ( 0.000 0.000 -0.000) 0.000 5.328 ( 0.000 0.000 -0.000) 0.000 5.353 ( -0.000 -0.000 -0.000) 0.000 5.437 ( 0.000 0.000 -0.000) 0.000 5.437 ( -0.000 0.000 -0.000) 0.000 5.691 ( 0.000 0.000 -0.000) 0.000 5.691 ( -0.000 0.000 -0.000) 0.000 5.755 ( -0.000 0.000 -0.000) 0.000 5.856 ( -0.000 0.000 -0.000) 0.000 6.133 ( -0.000 0.000 -0.000) 0.000 6.672 ( -0.000 0.000 -0.000) 0.000 6.798 ( 0.000 -0.000 0.000) 0.000 6.798 ( -0.000 0.000 -0.000) 0.000 6.864 ( -0.000 -0.000 0.000) 0.000 6.864 ( -0.000 0.000 -0.000) 0.000 6.874 ( 0.000 0.000 -0.000) 0.000 7.004 ( -0.000 0.000 -0.000) 0.000 7.008 ( 0.000 0.000 -0.000) 0.000 7.407 ( -0.000 0.000 -0.000) 0.000 7.407 ( 0.000 0.000 -0.000) 0.000 7.502 ( -0.000 -0.000 -0.000) 0.000 7.742 ( -0.000 0.000 -0.000) 0.000 7.742 ( 0.000 0.000 -0.000) 0.000 8.006 ( 0.000 0.000 -0.000) 0.000 8.210 ( -0.000 0.000 -0.000) 0.000 8.626 ( 0.000 0.000 -0.000) 0.000 8.866 ( 0.000 0.000 -0.000) 0.000 8.866 ( -0.000 0.000 -0.000) 0.000 8.880 ( 0.000 0.000 0.000) 0.000 9.028 ( 0.000 0.000 -0.000) 0.000 9.046 ( -0.000 0.000 -0.000) 0.000 9.046 ( 0.000 0.000 -0.000) 0.000 9.135 ( 0.000 0.000 -0.000) 0.000 9.394 ( 0.000 0.000 -0.000) 0.000 9.631 ( -0.000 0.000 -0.000) 0.000 9.857 ( 0.000 0.000 0.000) 0.000 10.400 ( -0.000 0.000 -0.000) 0.000 10.400 ( 0.000 0.000 -0.000) 0.000 10.495 ( -0.000 0.000 -0.000) 0.000 10.526 ( -0.000 0.000 -0.000) 0.000 10.526 ( 0.000 0.000 -0.000) 0.000 10.933 ( 0.000 0.000 0.000) 0.000 10.933 ( 0.000 0.000 -0.000) 0.000 11.276 ( -0.000 0.000 -0.000) 0.000 11.448 ( -0.000 0.000 -0.000) 0.000 11.451 ( -0.000 0.000 -0.000) 0.000 11.769 ( -0.000 0.000 -0.000) 0.000 12.475 ( 0.000 0.000 0.000) 0.000 12.607 ( -0.000 0.000 -0.000) 0.000 12.607 ( -0.000 0.000 -0.000) 0.000 12.669 ( 0.000 -0.000 0.000) 0.000 13.286 ( 0.000 0.000 -0.000) 0.000 13.286 ( -0.000 0.000 -0.000) 0.000 13.529 ( -0.000 0.000 -0.000) 0.000 13.595 ( 0.000 0.000 -0.000) 0.000 13.595 ( 0.000 0.000 -0.000) 0.000 14.117 ( 0.000 0.000 -0.000) 0.000 14.117 ( -0.000 0.000 -0.000) 0.000 14.393 ( 0.000 0.000 -0.000) 0.000 14.395 ( -0.000 0.000 -0.000) 0.000 14.509 ( -0.000 0.000 -0.000) 0.000 14.901 ( 0.000 0.000 -0.000) 0.000 15.352 ( 0.000 0.000 -0.000) 0.000 15.873 ( 0.000 0.000 -0.000) 0.000 15.873 ( -0.000 0.000 -0.000) 0.000 16.683 ( 0.000 0.000 -0.000) 0.000 16.941 ( 0.000 0.000 -0.000) 0.000 16.979 ( -0.000 0.000 -0.000) 0.000 16.979 ( 0.000 0.000 -0.000) 0.000 17.581 ( -0.000 0.000 -0.000) 0.000 17.811 ( 0.000 0.000 -0.000) 0.000 17.811 ( 0.000 0.000 -0.000) 0.000 18.150 ( 0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32832 10.0 1745.173 1745.173 1515.633 -0.000 0.000 -0.000 3/32832 20.0 383.757 383.757 439.388 -0.000 0.000 -0.000 3/32832 30.0 135.255 135.255 173.277 -0.000 0.000 -0.000 3/32832 40.0 68.049 68.049 90.871 -0.000 0.000 -0.000 3/32832 50.0 41.723 41.723 56.930 -0.000 0.000 -0.000 3/32832 60.0 28.732 28.732 39.687 -0.000 0.000 -0.000 3/32832 70.0 21.323 21.323 29.669 -0.000 0.000 -0.000 3/32832 80.0 16.671 16.671 23.302 -0.000 0.000 -0.000 3/32832 90.0 13.542 13.542 18.986 -0.000 0.000 -0.000 3/32832 100.0 11.326 11.326 15.915 -0.000 0.000 -0.000 3/32832 110.0 9.692 9.692 13.644 -0.000 0.000 -0.000 3/32832 120.0 8.448 8.448 11.910 -0.000 0.000 -0.000 3/32832 130.0 7.474 7.474 10.552 -0.000 0.000 -0.000 3/32832 140.0 6.695 6.695 9.465 -0.000 0.000 -0.000 3/32832 150.0 6.060 6.060 8.577 -0.000 0.000 -0.000 3/32832 160.0 5.533 5.533 7.840 -0.000 0.000 -0.000 3/32832 170.0 5.090 5.090 7.221 -0.000 0.000 -0.000 3/32832 180.0 4.713 4.713 6.692 -0.000 0.000 -0.000 3/32832 190.0 4.388 4.388 6.237 -0.000 0.000 -0.000 3/32832 200.0 4.106 4.106 5.842 -0.000 0.000 -0.000 3/32832 210.0 3.858 3.858 5.494 -0.000 0.000 -0.000 3/32832 220.0 3.639 3.639 5.187 -0.000 0.000 -0.000 3/32832 230.0 3.445 3.445 4.913 -0.000 0.000 -0.000 3/32832 240.0 3.270 3.270 4.667 -0.000 0.000 -0.000 3/32832 250.0 3.113 3.113 4.446 -0.000 0.000 -0.000 3/32832 260.0 2.970 2.970 4.245 -0.000 0.000 -0.000 3/32832 270.0 2.841 2.841 4.063 -0.000 0.000 -0.000 3/32832 280.0 2.723 2.723 3.896 -0.000 0.000 -0.000 3/32832 290.0 2.614 2.614 3.742 -0.000 0.000 -0.000 3/32832 300.0 2.514 2.514 3.601 -0.000 0.000 -0.000 3/32832 310.0 2.422 2.422 3.470 -0.000 0.000 -0.000 3/32832 320.0 2.336 2.336 3.349 -0.000 0.000 -0.000 3/32832 330.0 2.256 2.256 3.236 -0.000 0.000 -0.000 3/32832 340.0 2.182 2.182 3.131 -0.000 0.000 -0.000 3/32832 350.0 2.113 2.113 3.032 -0.000 0.000 -0.000 3/32832 360.0 2.048 2.048 2.940 -0.000 0.000 -0.000 3/32832 370.0 1.987 1.987 2.854 -0.000 0.000 -0.000 3/32832 380.0 1.930 1.930 2.772 -0.000 0.000 -0.000 3/32832 390.0 1.876 1.876 2.695 -0.000 0.000 -0.000 3/32832 400.0 1.825 1.825 2.623 -0.000 0.000 -0.000 3/32832 410.0 1.776 1.776 2.554 -0.000 0.000 -0.000 3/32832 420.0 1.731 1.731 2.489 -0.000 0.000 -0.000 3/32832 430.0 1.687 1.687 2.427 -0.000 0.000 -0.000 3/32832 440.0 1.646 1.646 2.369 -0.000 0.000 -0.000 3/32832 450.0 1.607 1.607 2.313 -0.000 0.000 -0.000 3/32832 460.0 1.570 1.570 2.260 -0.000 0.000 -0.000 3/32832 470.0 1.534 1.534 2.209 -0.000 0.000 -0.000 3/32832 480.0 1.500 1.500 2.160 -0.000 0.000 -0.000 3/32832 490.0 1.468 1.468 2.114 -0.000 0.000 -0.000 3/32832 500.0 1.437 1.437 2.070 -0.000 0.000 -0.000 3/32832 510.0 1.407 1.407 2.027 -0.000 0.000 -0.000 3/32832 520.0 1.379 1.379 1.986 -0.000 0.000 -0.000 3/32832 530.0 1.351 1.351 1.947 -0.000 0.000 -0.000 3/32832 540.0 1.325 1.325 1.910 -0.000 0.000 -0.000 3/32832 550.0 1.300 1.300 1.873 -0.000 0.000 -0.000 3/32832 560.0 1.276 1.276 1.839 -0.000 0.000 -0.000 3/32832 570.0 1.252 1.252 1.805 -0.000 0.000 -0.000 3/32832 580.0 1.230 1.230 1.773 -0.000 0.000 -0.000 3/32832 590.0 1.208 1.208 1.742 -0.000 0.000 -0.000 3/32832 600.0 1.187 1.187 1.712 -0.000 0.000 -0.000 3/32832 610.0 1.167 1.167 1.683 -0.000 0.000 -0.000 3/32832 620.0 1.147 1.147 1.655 -0.000 0.000 -0.000 3/32832 630.0 1.128 1.128 1.628 -0.000 0.000 -0.000 3/32832 640.0 1.110 1.110 1.602 -0.000 0.000 -0.000 3/32832 650.0 1.093 1.093 1.576 -0.000 0.000 -0.000 3/32832 660.0 1.075 1.075 1.552 -0.000 0.000 -0.000 3/32832 670.0 1.059 1.059 1.528 -0.000 0.000 -0.000 3/32832 680.0 1.043 1.043 1.505 -0.000 0.000 -0.000 3/32832 690.0 1.027 1.027 1.482 -0.000 0.000 -0.000 3/32832 700.0 1.012 1.012 1.461 -0.000 0.000 -0.000 3/32832 710.0 0.997 0.997 1.440 -0.000 0.000 -0.000 3/32832 720.0 0.983 0.983 1.419 -0.000 0.000 -0.000 3/32832 730.0 0.969 0.969 1.399 -0.000 0.000 -0.000 3/32832 740.0 0.956 0.956 1.380 -0.000 0.000 -0.000 3/32832 750.0 0.943 0.943 1.361 -0.000 0.000 -0.000 3/32832 760.0 0.930 0.930 1.343 -0.000 0.000 -0.000 3/32832 770.0 0.918 0.918 1.325 -0.000 0.000 -0.000 3/32832 780.0 0.906 0.906 1.308 -0.000 0.000 -0.000 3/32832 790.0 0.894 0.894 1.291 -0.000 0.000 -0.000 3/32832 800.0 0.883 0.883 1.274 -0.000 0.000 -0.000 3/32832 810.0 0.871 0.871 1.258 -0.000 0.000 -0.000 3/32832 820.0 0.861 0.861 1.243 -0.000 0.000 -0.000 3/32832 830.0 0.850 0.850 1.228 -0.000 0.000 -0.000 3/32832 840.0 0.840 0.840 1.213 -0.000 0.000 -0.000 3/32832 850.0 0.830 0.830 1.198 -0.000 0.000 -0.000 3/32832 860.0 0.820 0.820 1.184 -0.000 0.000 -0.000 3/32832 870.0 0.810 0.810 1.170 -0.000 0.000 -0.000 3/32832 880.0 0.801 0.801 1.157 -0.000 0.000 -0.000 3/32832 890.0 0.792 0.792 1.144 -0.000 0.000 -0.000 3/32832 900.0 0.783 0.783 1.131 -0.000 0.000 -0.000 3/32832 910.0 0.774 0.774 1.118 -0.000 0.000 -0.000 3/32832 920.0 0.765 0.765 1.106 -0.000 0.000 -0.000 3/32832 930.0 0.757 0.757 1.094 -0.000 0.000 -0.000 3/32832 940.0 0.749 0.749 1.082 -0.000 0.000 -0.000 3/32832 950.0 0.741 0.741 1.070 -0.000 0.000 -0.000 3/32832 960.0 0.733 0.733 1.059 -0.000 0.000 -0.000 3/32832 970.0 0.725 0.725 1.048 -0.000 0.000 -0.000 3/32832 980.0 0.718 0.718 1.037 -0.000 0.000 -0.000 3/32832 990.0 0.710 0.710 1.027 -0.000 0.000 -0.000 3/32832 1000.0 0.703 0.703 1.016 -0.000 0.000 -0.000 3/32832 Thermal conductivity related properties were written into "kappa-m1472.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:46:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|