----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:14:34]------------------------- 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 3 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.349971580038476 -2.459012725000000 0.000000000000000 b 6.349971580038476 2.459012725000000 0.000000000000000 c -4.219838522610154 0.000000000000000 13.157435440324130 Atomic positions (fractional): *1 F 0.80465231815093 0.11524203316510 0.41511004641360 18.998 2 F 0.88475796683490 0.19534768184907 0.08488995358640 18.998 3 F 0.19534768184907 0.88475796683490 0.58488995358640 18.998 4 F 0.11524203316510 0.80465231815093 0.91511004641360 18.998 *5 F 0.51904217246444 0.82776168476676 0.03960290529256 18.998 6 F 0.17223831523324 0.48095782753556 0.46039709470744 18.998 7 F 0.48095782753556 0.17223831523324 0.96039709470744 18.998 8 F 0.82776168476676 0.51904217246444 0.53960290529256 18.998 *9 F 0.03338393713015 0.45917873742518 0.80338714509466 18.998 10 F 0.54082126257482 0.96661606286985 0.69661285490534 18.998 11 F 0.96661606286985 0.54082126257482 0.19661285490534 18.998 12 F 0.45917873742518 0.03338393713015 0.30338714509466 18.998 *13 F 0.17439377332845 0.59906593361298 0.67833170349890 18.998 14 F 0.40093406638702 0.82560622667155 0.82166829650110 18.998 15 F 0.82560622667155 0.40093406638702 0.32166829650111 18.998 16 F 0.59906593361298 0.17439377332845 0.17833170349889 18.998 *17 Sn 0.59007543891072 0.63665651332575 0.18442641954301 118.710 18 Sn 0.36334348667425 0.40992456108928 0.31557358045699 118.710 19 Sn 0.40992456108928 0.36334348667425 0.81557358045699 118.710 20 Sn 0.63665651332575 0.59007543891072 0.68442641954301 118.710 *21 Sn 0.86911653643474 0.87075843572885 0.05822784994057 118.710 22 Sn 0.12924156427115 0.13088346356526 0.44177215005943 118.710 23 Sn 0.13088346356526 0.12924156427115 0.94177215005943 118.710 24 Sn 0.87075843572885 0.86911653643474 0.55822784994057 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.699943160076952 0.000000000000000 0.000000000000000 b 0.000000000000000 4.918025449999999 0.000000000000000 c -4.219838522610154 0.000000000000000 13.157435440324130 Atomic positions (fractional): *1 F 0.95994717565802 0.15529485750709 0.41511004641360 18.998 > 1 2 F 0.04005282434198 0.15529485750709 0.08488995358640 18.998 > 2 3 F 0.04005282434198 0.84470514249291 0.58488995358640 18.998 > 3 4 F 0.95994717565802 0.84470514249291 0.91511004641360 18.998 > 4 *5 F 0.67340192861560 0.15435975615116 0.03960290529256 18.998 > 5 6 F 0.82659807138440 0.65435975615116 0.46039709470744 18.998 > 6 7 F 0.32659807138440 0.84564024384884 0.96039709470744 18.998 > 7 8 F 0.17340192861560 0.34564024384884 0.53960290529256 18.998 > 8 *9 F 0.24628133727767 0.21289740014751 0.80338714509466 18.998 > 9 10 F 0.25371866272233 0.71289740014752 0.69661285490534 18.998 > 10 11 F 0.75371866272233 0.78710259985248 0.19661285490534 18.998 > 11 12 F 0.74628133727767 0.28710259985248 0.30338714509466 18.998 > 12 *13 F 0.88672985347071 0.71233608014226 0.67833170349890 18.998 > 13 14 F 0.11327014652929 0.71233608014226 0.82166829650110 18.998 > 14 15 F 0.11327014652929 0.28766391985774 0.32166829650111 18.998 > 15 16 F 0.88672985347071 0.28766391985774 0.17833170349889 18.998 > 16 17 F 0.45994717565802 0.65529485750709 0.41511004641360 18.998 > 1 18 F 0.54005282434198 0.65529485750709 0.08488995358640 18.998 > 2 19 F 0.54005282434198 0.34470514249291 0.58488995358640 18.998 > 3 20 F 0.45994717565802 0.34470514249291 0.91511004641360 18.998 > 4 21 F 0.17340192861560 0.65435975615116 0.03960290529256 18.998 > 5 22 F 0.32659807138440 0.15435975615116 0.46039709470744 18.998 > 6 23 F 0.82659807138440 0.34564024384884 0.96039709470744 18.998 > 7 24 F 0.67340192861560 0.84564024384884 0.53960290529256 18.998 > 8 25 F 0.74628133727767 0.71289740014752 0.80338714509466 18.998 > 9 26 F 0.75371866272233 0.21289740014751 0.69661285490534 18.998 > 10 27 F 0.25371866272233 0.28710259985248 0.19661285490534 18.998 > 11 28 F 0.24628133727767 0.78710259985248 0.30338714509466 18.998 > 12 29 F 0.38672985347071 0.21233608014226 0.67833170349890 18.998 > 13 30 F 0.61327014652929 0.21233608014226 0.82166829650110 18.998 > 14 31 F 0.61327014652929 0.78766391985774 0.32166829650111 18.998 > 15 32 F 0.38672985347071 0.78766391985774 0.17833170349889 18.998 > 16 *33 Sn 0.61336597611823 0.02329053720752 0.18442641954301 118.710 > 17 34 Sn 0.88663402388177 0.52329053720752 0.31557358045699 118.710 > 18 35 Sn 0.38663402388177 0.97670946279248 0.81557358045699 118.710 > 19 36 Sn 0.11336597611823 0.47670946279248 0.68442641954301 118.710 > 20 *37 Sn 0.86993748608179 0.00082094964705 0.05822784994057 118.710 > 21 38 Sn 0.13006251391821 0.00082094964705 0.44177215005943 118.710 > 22 39 Sn 0.13006251391821 0.99917905035295 0.94177215005943 118.710 > 23 40 Sn 0.86993748608179 0.99917905035295 0.55822784994057 118.710 > 24 41 Sn 0.11336597611823 0.52329053720752 0.18442641954301 118.710 > 17 42 Sn 0.38663402388177 0.02329053720752 0.31557358045699 118.710 > 18 43 Sn 0.88663402388177 0.47670946279248 0.81557358045699 118.710 > 19 44 Sn 0.61336597611823 0.97670946279248 0.68442641954301 118.710 > 20 45 Sn 0.36993748608179 0.50082094964705 0.05822784994057 118.710 > 21 46 Sn 0.63006251391821 0.50082094964705 0.44177215005943 118.710 > 22 47 Sn 0.63006251391821 0.49917905035295 0.94177215005943 118.710 > 23 48 Sn 0.36993748608179 0.49917905035295 0.55822784994057 118.710 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.699943160076952 0.000000000000000 0.000000000000000 b 0.000000000000000 14.754076349999998 0.000000000000000 c -4.219838522610154 0.000000000000000 13.157435440324130 Atomic positions (fractional): *1 F 0.95994717565802 0.05176495250236 0.41511004641360 18.998 > 1 2 F 0.95994717565802 0.38509828583570 0.41511004641360 18.998 > 1 3 F 0.95994717565802 0.71843161916903 0.41511004641360 18.998 > 1 4 F 0.04005282434198 0.05176495250236 0.08488995358640 18.998 > 2 5 F 0.04005282434198 0.38509828583570 0.08488995358640 18.998 > 2 6 F 0.04005282434198 0.71843161916903 0.08488995358640 18.998 > 2 7 F 0.04005282434198 0.28156838083097 0.58488995358640 18.998 > 3 8 F 0.04005282434198 0.61490171416430 0.58488995358640 18.998 > 3 9 F 0.04005282434198 0.94823504749764 0.58488995358640 18.998 > 3 10 F 0.95994717565802 0.28156838083097 0.91511004641360 18.998 > 4 11 F 0.95994717565802 0.61490171416430 0.91511004641360 18.998 > 4 12 F 0.95994717565802 0.94823504749764 0.91511004641360 18.998 > 4 *13 F 0.67340192861560 0.05145325205039 0.03960290529256 18.998 > 5 14 F 0.67340192861560 0.38478658538372 0.03960290529256 18.998 > 5 15 F 0.67340192861560 0.71811991871705 0.03960290529256 18.998 > 5 16 F 0.82659807138440 0.21811991871705 0.46039709470744 18.998 > 6 17 F 0.82659807138440 0.55145325205039 0.46039709470744 18.998 > 6 18 F 0.82659807138440 0.88478658538372 0.46039709470744 18.998 > 6 19 F 0.32659807138440 0.28188008128295 0.96039709470744 18.998 > 7 20 F 0.32659807138440 0.61521341461628 0.96039709470744 18.998 > 7 21 F 0.32659807138440 0.94854674794961 0.96039709470744 18.998 > 7 22 F 0.17340192861560 0.11521341461628 0.53960290529256 18.998 > 8 23 F 0.17340192861560 0.44854674794961 0.53960290529256 18.998 > 8 24 F 0.17340192861560 0.78188008128295 0.53960290529256 18.998 > 8 *25 F 0.24628133727767 0.07096580004917 0.80338714509466 18.998 > 9 26 F 0.24628133727767 0.40429913338251 0.80338714509466 18.998 > 9 27 F 0.24628133727767 0.73763246671584 0.80338714509466 18.998 > 9 28 F 0.25371866272233 0.23763246671584 0.69661285490534 18.998 > 10 29 F 0.25371866272233 0.57096580004917 0.69661285490534 18.998 > 10 30 F 0.25371866272233 0.90429913338251 0.69661285490534 18.998 > 10 31 F 0.75371866272233 0.26236753328416 0.19661285490534 18.998 > 11 32 F 0.75371866272233 0.59570086661749 0.19661285490534 18.998 > 11 33 F 0.75371866272233 0.92903419995083 0.19661285490534 18.998 > 11 34 F 0.74628133727767 0.09570086661749 0.30338714509466 18.998 > 12 35 F 0.74628133727767 0.42903419995083 0.30338714509466 18.998 > 12 36 F 0.74628133727767 0.76236753328416 0.30338714509466 18.998 > 12 *37 F 0.88672985347071 0.23744536004742 0.67833170349890 18.998 > 13 38 F 0.88672985347071 0.57077869338075 0.67833170349890 18.998 > 13 39 F 0.88672985347071 0.90411202671409 0.67833170349890 18.998 > 13 40 F 0.11327014652929 0.23744536004742 0.82166829650110 18.998 > 14 41 F 0.11327014652929 0.57077869338075 0.82166829650110 18.998 > 14 42 F 0.11327014652929 0.90411202671409 0.82166829650110 18.998 > 14 43 F 0.11327014652929 0.09588797328591 0.32166829650111 18.998 > 15 44 F 0.11327014652929 0.42922130661925 0.32166829650111 18.998 > 15 45 F 0.11327014652929 0.76255463995258 0.32166829650111 18.998 > 15 46 F 0.88672985347071 0.09588797328591 0.17833170349889 18.998 > 16 47 F 0.88672985347071 0.42922130661925 0.17833170349889 18.998 > 16 48 F 0.88672985347071 0.76255463995258 0.17833170349889 18.998 > 16 49 F 0.45994717565802 0.21843161916903 0.41511004641360 18.998 > 1 50 F 0.45994717565802 0.55176495250236 0.41511004641360 18.998 > 1 51 F 0.45994717565802 0.88509828583570 0.41511004641360 18.998 > 1 52 F 0.54005282434198 0.21843161916903 0.08488995358640 18.998 > 2 53 F 0.54005282434198 0.55176495250236 0.08488995358640 18.998 > 2 54 F 0.54005282434198 0.88509828583570 0.08488995358640 18.998 > 2 55 F 0.54005282434198 0.11490171416430 0.58488995358640 18.998 > 3 56 F 0.54005282434198 0.44823504749764 0.58488995358640 18.998 > 3 57 F 0.54005282434198 0.78156838083097 0.58488995358640 18.998 > 3 58 F 0.45994717565802 0.11490171416430 0.91511004641360 18.998 > 4 59 F 0.45994717565802 0.44823504749764 0.91511004641360 18.998 > 4 60 F 0.45994717565802 0.78156838083097 0.91511004641360 18.998 > 4 61 F 0.17340192861560 0.21811991871705 0.03960290529256 18.998 > 5 62 F 0.17340192861560 0.55145325205039 0.03960290529256 18.998 > 5 63 F 0.17340192861560 0.88478658538372 0.03960290529256 18.998 > 5 64 F 0.32659807138440 0.05145325205039 0.46039709470744 18.998 > 6 65 F 0.32659807138440 0.38478658538372 0.46039709470744 18.998 > 6 66 F 0.32659807138440 0.71811991871705 0.46039709470744 18.998 > 6 67 F 0.82659807138440 0.11521341461628 0.96039709470744 18.998 > 7 68 F 0.82659807138440 0.44854674794961 0.96039709470744 18.998 > 7 69 F 0.82659807138440 0.78188008128295 0.96039709470744 18.998 > 7 70 F 0.67340192861560 0.28188008128295 0.53960290529256 18.998 > 8 71 F 0.67340192861560 0.61521341461628 0.53960290529256 18.998 > 8 72 F 0.67340192861560 0.94854674794961 0.53960290529256 18.998 > 8 73 F 0.74628133727767 0.23763246671584 0.80338714509466 18.998 > 9 74 F 0.74628133727767 0.57096580004917 0.80338714509466 18.998 > 9 75 F 0.74628133727767 0.90429913338251 0.80338714509466 18.998 > 9 76 F 0.75371866272233 0.07096580004917 0.69661285490534 18.998 > 10 77 F 0.75371866272233 0.40429913338251 0.69661285490534 18.998 > 10 78 F 0.75371866272233 0.73763246671584 0.69661285490534 18.998 > 10 79 F 0.25371866272233 0.09570086661749 0.19661285490534 18.998 > 11 80 F 0.25371866272233 0.42903419995083 0.19661285490534 18.998 > 11 81 F 0.25371866272233 0.76236753328416 0.19661285490534 18.998 > 11 82 F 0.24628133727767 0.26236753328416 0.30338714509466 18.998 > 12 83 F 0.24628133727767 0.59570086661749 0.30338714509466 18.998 > 12 84 F 0.24628133727767 0.92903419995083 0.30338714509466 18.998 > 12 85 F 0.38672985347071 0.07077869338075 0.67833170349890 18.998 > 13 86 F 0.38672985347071 0.40411202671409 0.67833170349890 18.998 > 13 87 F 0.38672985347071 0.73744536004742 0.67833170349890 18.998 > 13 88 F 0.61327014652929 0.07077869338075 0.82166829650110 18.998 > 14 89 F 0.61327014652929 0.40411202671409 0.82166829650110 18.998 > 14 90 F 0.61327014652929 0.73744536004742 0.82166829650110 18.998 > 14 91 F 0.61327014652929 0.26255463995258 0.32166829650111 18.998 > 15 92 F 0.61327014652929 0.59588797328591 0.32166829650111 18.998 > 15 93 F 0.61327014652929 0.92922130661925 0.32166829650111 18.998 > 15 94 F 0.38672985347071 0.26255463995258 0.17833170349889 18.998 > 16 95 F 0.38672985347071 0.59588797328591 0.17833170349889 18.998 > 16 96 F 0.38672985347071 0.92922130661925 0.17833170349889 18.998 > 16 *97 Sn 0.61336597611823 0.00776351240251 0.18442641954301 118.710 > 17 98 Sn 0.61336597611823 0.34109684573584 0.18442641954301 118.710 > 17 99 Sn 0.61336597611823 0.67443017906917 0.18442641954301 118.710 > 17 100 Sn 0.88663402388177 0.17443017906917 0.31557358045699 118.710 > 18 101 Sn 0.88663402388177 0.50776351240251 0.31557358045699 118.710 > 18 102 Sn 0.88663402388177 0.84109684573584 0.31557358045699 118.710 > 18 103 Sn 0.38663402388177 0.32556982093083 0.81557358045699 118.710 > 19 104 Sn 0.38663402388177 0.65890315426416 0.81557358045699 118.710 > 19 105 Sn 0.38663402388177 0.99223648759749 0.81557358045699 118.710 > 19 106 Sn 0.11336597611823 0.15890315426416 0.68442641954301 118.710 > 20 107 Sn 0.11336597611823 0.49223648759749 0.68442641954301 118.710 > 20 108 Sn 0.11336597611823 0.82556982093083 0.68442641954301 118.710 > 20 *109 Sn 0.86993748608179 0.00027364988235 0.05822784994057 118.710 > 21 110 Sn 0.86993748608179 0.33360698321568 0.05822784994057 118.710 > 21 111 Sn 0.86993748608179 0.66694031654902 0.05822784994057 118.710 > 21 112 Sn 0.13006251391821 0.00027364988235 0.44177215005943 118.710 > 22 113 Sn 0.13006251391821 0.33360698321568 0.44177215005943 118.710 > 22 114 Sn 0.13006251391821 0.66694031654902 0.44177215005943 118.710 > 22 115 Sn 0.13006251391821 0.33305968345098 0.94177215005943 118.710 > 23 116 Sn 0.13006251391821 0.66639301678432 0.94177215005943 118.710 > 23 117 Sn 0.13006251391821 0.99972635011765 0.94177215005943 118.710 > 23 118 Sn 0.86993748608179 0.33305968345098 0.55822784994057 118.710 > 24 119 Sn 0.86993748608179 0.66639301678432 0.55822784994057 118.710 > 24 120 Sn 0.86993748608179 0.99972635011765 0.55822784994057 118.710 > 24 121 Sn 0.11336597611823 0.17443017906917 0.18442641954301 118.710 > 17 122 Sn 0.11336597611823 0.50776351240251 0.18442641954301 118.710 > 17 123 Sn 0.11336597611823 0.84109684573584 0.18442641954301 118.710 > 17 124 Sn 0.38663402388177 0.00776351240251 0.31557358045699 118.710 > 18 125 Sn 0.38663402388177 0.34109684573584 0.31557358045699 118.710 > 18 126 Sn 0.38663402388177 0.67443017906917 0.31557358045699 118.710 > 18 127 Sn 0.88663402388177 0.15890315426416 0.81557358045699 118.710 > 19 128 Sn 0.88663402388177 0.49223648759749 0.81557358045699 118.710 > 19 129 Sn 0.88663402388177 0.82556982093083 0.81557358045699 118.710 > 19 130 Sn 0.61336597611823 0.32556982093083 0.68442641954301 118.710 > 20 131 Sn 0.61336597611823 0.65890315426416 0.68442641954301 118.710 > 20 132 Sn 0.61336597611823 0.99223648759749 0.68442641954301 118.710 > 20 133 Sn 0.36993748608179 0.16694031654902 0.05822784994057 118.710 > 21 134 Sn 0.36993748608179 0.50027364988235 0.05822784994057 118.710 > 21 135 Sn 0.36993748608179 0.83360698321568 0.05822784994057 118.710 > 21 136 Sn 0.63006251391821 0.16694031654902 0.44177215005943 118.710 > 22 137 Sn 0.63006251391821 0.50027364988235 0.44177215005943 118.710 > 22 138 Sn 0.63006251391821 0.83360698321568 0.44177215005943 118.710 > 22 139 Sn 0.63006251391821 0.16639301678432 0.94177215005943 118.710 > 23 140 Sn 0.63006251391821 0.49972635011765 0.94177215005943 118.710 > 23 141 Sn 0.63006251391821 0.83305968345098 0.94177215005943 118.710 > 23 142 Sn 0.36993748608179 0.16639301678432 0.55822784994057 118.710 > 24 143 Sn 0.36993748608179 0.49972635011765 0.55822784994057 118.710 > 24 144 Sn 0.36993748608179 0.83305968345098 0.55822784994057 118.710 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0333724 0.0000000 0.1150822 0.0000000 3.7198420 0.0000000 0.1151011 0.0000000 3.8503264 -------------------------- Born effective charges -------------------------- 1 F -1.8574301 0.6135278 -0.0405824 0.4236015 -1.6997948 0.7134967 -0.0031553 0.7800322 -1.2817022 2 F -1.8574301 -0.6135278 -0.0405824 -0.4236015 -1.6997948 -0.7134967 -0.0031553 -0.7800322 -1.2817022 3 F -1.8574301 0.6135278 -0.0405824 0.4236015 -1.6997948 0.7134967 -0.0031553 0.7800322 -1.2817022 4 F -1.8574301 -0.6135278 -0.0405824 -0.4236015 -1.6997948 -0.7134967 -0.0031553 -0.7800322 -1.2817022 5 F -1.6167808 0.3100612 0.3679673 0.0841852 -1.6352850 0.7993048 0.3673248 1.0431402 -1.6858292 6 F -1.6167808 -0.3100612 0.3679673 -0.0841852 -1.6352850 -0.7993048 0.3673248 -1.0431402 -1.6858292 7 F -1.6167808 0.3100612 0.3679673 0.0841852 -1.6352850 0.7993048 0.3673248 1.0431402 -1.6858292 8 F -1.6167808 -0.3100612 0.3679673 -0.0841852 -1.6352850 -0.7993048 0.3673248 -1.0431402 -1.6858292 9 F -2.1810561 1.0270906 -0.4934162 0.8345923 -1.3262381 0.5511842 -0.3710640 0.4930416 -1.1821690 10 F -2.1810561 -1.0270906 -0.4934162 -0.8345923 -1.3262381 -0.5511842 -0.3710640 -0.4930416 -1.1821690 11 F -2.1810561 1.0270906 -0.4934162 0.8345923 -1.3262381 0.5511842 -0.3710640 0.4930416 -1.1821690 12 F -2.1810561 -1.0270906 -0.4934162 -0.8345923 -1.3262381 -0.5511842 -0.3710640 -0.4930416 -1.1821690 13 F -0.8580404 -0.1058185 0.3680275 -0.1810576 -1.6695987 1.2460886 0.3694111 1.3708204 -2.1566156 14 F -0.8580404 0.1058185 0.3680275 0.1810576 -1.6695987 -1.2460886 0.3694111 -1.3708204 -2.1566156 15 F -0.8580404 -0.1058185 0.3680275 -0.1810576 -1.6695987 1.2460886 0.3694111 1.3708204 -2.1566156 16 F -0.8580404 0.1058185 0.3680275 0.1810576 -1.6695987 -1.2460886 0.3694111 -1.3708204 -2.1566156 17 Sn 3.1244186 0.4309310 0.0759452 0.4411158 3.1997308 0.1040993 -0.1474029 0.1443567 3.4463297 18 Sn 3.1244186 -0.4309310 0.0759452 -0.4411158 3.1997308 -0.1040993 -0.1474029 -0.1443567 3.4463297 19 Sn 3.1244186 0.4309310 0.0759452 0.4411158 3.1997308 0.1040993 -0.1474029 0.1443567 3.4463297 20 Sn 3.1244186 -0.4309310 0.0759452 -0.4411158 3.1997308 -0.1040993 -0.1474029 -0.1443567 3.4463297 21 Sn 3.3888888 -0.1229271 -0.2779415 -0.0641668 3.1311859 0.1510298 -0.2151136 -0.0238736 2.8599863 22 Sn 3.3888888 0.1229271 -0.2779415 0.0641668 3.1311859 -0.1510298 -0.2151136 0.0238736 2.8599863 23 Sn 3.3888888 -0.1229271 -0.2779415 -0.0641668 3.1311859 0.1510298 -0.2151136 -0.0238736 2.8599863 24 Sn 3.3888888 0.1229271 -0.2779415 0.0641668 3.1311859 -0.1510298 -0.2151136 0.0238736 2.8599863 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 20052/20052 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4032 Number of blocks in projector: 4032 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 480 Use standard eigh solver. Tree of FC basis block matrices: - (4032, 3979), data: False |-- (480, 474), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.448 Solver_block: 200 / 720 - Time: 1.554 Solver_block: 300 / 720 - Time: 1.302 Solver_block: 400 / 720 - Time: 1.206 Solver_block: 500 / 720 - Time: 1.267 Solver_block: 600 / 720 - Time: 1.222 Solver_block: 700 / 720 - Time: 1.417 Solver_block: 720 / 720 - Time: 0.388 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.146 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 20052/20052 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4032 Number of blocks in projector: 4032 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 480 Use standard eigh solver. Tree of FC basis block matrices: - (4032, 3979), data: False |-- (480, 474), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:15:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:15:29]------------------------- 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 3 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.349971580038476 -2.459012725000000 0.000000000000000 b 6.349971580038476 2.459012725000000 0.000000000000000 c -4.219838522610154 0.000000000000000 13.157435440324130 Atomic positions (fractional): 1 F 0.80465231815093 0.11524203316510 0.41511004641360 18.998 2 F 0.88475796683490 0.19534768184907 0.08488995358640 18.998 3 F 0.19534768184907 0.88475796683490 0.58488995358640 18.998 4 F 0.11524203316510 0.80465231815093 0.91511004641360 18.998 5 F 0.51904217246444 0.82776168476676 0.03960290529256 18.998 6 F 0.17223831523324 0.48095782753556 0.46039709470744 18.998 7 F 0.48095782753556 0.17223831523324 0.96039709470744 18.998 8 F 0.82776168476676 0.51904217246444 0.53960290529256 18.998 9 F 0.03338393713015 0.45917873742518 0.80338714509466 18.998 10 F 0.54082126257482 0.96661606286985 0.69661285490534 18.998 11 F 0.96661606286985 0.54082126257482 0.19661285490534 18.998 12 F 0.45917873742518 0.03338393713015 0.30338714509466 18.998 13 F 0.17439377332845 0.59906593361298 0.67833170349890 18.998 14 F 0.40093406638702 0.82560622667155 0.82166829650110 18.998 15 F 0.82560622667155 0.40093406638702 0.32166829650111 18.998 16 F 0.59906593361298 0.17439377332845 0.17833170349889 18.998 17 Sn 0.59007543891072 0.63665651332575 0.18442641954301 118.710 18 Sn 0.36334348667425 0.40992456108928 0.31557358045699 118.710 19 Sn 0.40992456108928 0.36334348667425 0.81557358045699 118.710 20 Sn 0.63665651332575 0.59007543891072 0.68442641954301 118.710 21 Sn 0.86911653643474 0.87075843572885 0.05822784994057 118.710 22 Sn 0.12924156427115 0.13088346356526 0.44177215005943 118.710 23 Sn 0.13088346356526 0.12924156427115 0.94177215005943 118.710 24 Sn 0.87075843572885 0.86911653643474 0.55822784994057 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.699943160076952 0.000000000000000 0.000000000000000 b 0.000000000000000 14.754076349999998 0.000000000000000 c -4.219838522610154 0.000000000000000 13.157435440324130 Atomic positions (fractional): 1 F 0.95994717565802 0.05176495250236 0.41511004641360 18.998 > 1 2 F 0.95994717565802 0.38509828583570 0.41511004641360 18.998 > 1 3 F 0.95994717565802 0.71843161916903 0.41511004641360 18.998 > 1 4 F 0.04005282434198 0.05176495250236 0.08488995358640 18.998 > 4 5 F 0.04005282434198 0.38509828583570 0.08488995358640 18.998 > 4 6 F 0.04005282434198 0.71843161916903 0.08488995358640 18.998 > 4 7 F 0.04005282434198 0.28156838083097 0.58488995358640 18.998 > 7 8 F 0.04005282434198 0.61490171416430 0.58488995358640 18.998 > 7 9 F 0.04005282434198 0.94823504749764 0.58488995358640 18.998 > 7 10 F 0.95994717565802 0.28156838083097 0.91511004641360 18.998 > 10 11 F 0.95994717565802 0.61490171416430 0.91511004641360 18.998 > 10 12 F 0.95994717565802 0.94823504749764 0.91511004641360 18.998 > 10 13 F 0.67340192861560 0.05145325205039 0.03960290529256 18.998 > 13 14 F 0.67340192861560 0.38478658538372 0.03960290529256 18.998 > 13 15 F 0.67340192861560 0.71811991871705 0.03960290529256 18.998 > 13 16 F 0.82659807138440 0.21811991871705 0.46039709470744 18.998 > 16 17 F 0.82659807138440 0.55145325205039 0.46039709470744 18.998 > 16 18 F 0.82659807138440 0.88478658538372 0.46039709470744 18.998 > 16 19 F 0.32659807138440 0.28188008128295 0.96039709470744 18.998 > 19 20 F 0.32659807138440 0.61521341461628 0.96039709470744 18.998 > 19 21 F 0.32659807138440 0.94854674794961 0.96039709470744 18.998 > 19 22 F 0.17340192861560 0.11521341461628 0.53960290529256 18.998 > 22 23 F 0.17340192861560 0.44854674794961 0.53960290529256 18.998 > 22 24 F 0.17340192861560 0.78188008128295 0.53960290529256 18.998 > 22 25 F 0.24628133727767 0.07096580004917 0.80338714509466 18.998 > 25 26 F 0.24628133727767 0.40429913338251 0.80338714509466 18.998 > 25 27 F 0.24628133727767 0.73763246671584 0.80338714509466 18.998 > 25 28 F 0.25371866272233 0.23763246671584 0.69661285490534 18.998 > 28 29 F 0.25371866272233 0.57096580004917 0.69661285490534 18.998 > 28 30 F 0.25371866272233 0.90429913338251 0.69661285490534 18.998 > 28 31 F 0.75371866272233 0.26236753328416 0.19661285490534 18.998 > 31 32 F 0.75371866272233 0.59570086661749 0.19661285490534 18.998 > 31 33 F 0.75371866272233 0.92903419995083 0.19661285490534 18.998 > 31 34 F 0.74628133727767 0.09570086661749 0.30338714509466 18.998 > 34 35 F 0.74628133727767 0.42903419995083 0.30338714509466 18.998 > 34 36 F 0.74628133727767 0.76236753328416 0.30338714509466 18.998 > 34 37 F 0.88672985347071 0.23744536004742 0.67833170349890 18.998 > 37 38 F 0.88672985347071 0.57077869338075 0.67833170349890 18.998 > 37 39 F 0.88672985347071 0.90411202671409 0.67833170349890 18.998 > 37 40 F 0.11327014652929 0.23744536004742 0.82166829650110 18.998 > 40 41 F 0.11327014652929 0.57077869338075 0.82166829650110 18.998 > 40 42 F 0.11327014652929 0.90411202671409 0.82166829650110 18.998 > 40 43 F 0.11327014652929 0.09588797328591 0.32166829650111 18.998 > 43 44 F 0.11327014652929 0.42922130661925 0.32166829650111 18.998 > 43 45 F 0.11327014652929 0.76255463995258 0.32166829650111 18.998 > 43 46 F 0.88672985347071 0.09588797328591 0.17833170349889 18.998 > 46 47 F 0.88672985347071 0.42922130661925 0.17833170349889 18.998 > 46 48 F 0.88672985347071 0.76255463995258 0.17833170349889 18.998 > 46 49 F 0.45994717565802 0.21843161916903 0.41511004641360 18.998 > 1 50 F 0.45994717565802 0.55176495250236 0.41511004641360 18.998 > 1 51 F 0.45994717565802 0.88509828583570 0.41511004641360 18.998 > 1 52 F 0.54005282434198 0.21843161916903 0.08488995358640 18.998 > 4 53 F 0.54005282434198 0.55176495250236 0.08488995358640 18.998 > 4 54 F 0.54005282434198 0.88509828583570 0.08488995358640 18.998 > 4 55 F 0.54005282434198 0.11490171416430 0.58488995358640 18.998 > 7 56 F 0.54005282434198 0.44823504749764 0.58488995358640 18.998 > 7 57 F 0.54005282434198 0.78156838083097 0.58488995358640 18.998 > 7 58 F 0.45994717565802 0.11490171416430 0.91511004641360 18.998 > 10 59 F 0.45994717565802 0.44823504749764 0.91511004641360 18.998 > 10 60 F 0.45994717565802 0.78156838083097 0.91511004641360 18.998 > 10 61 F 0.17340192861560 0.21811991871705 0.03960290529256 18.998 > 13 62 F 0.17340192861560 0.55145325205039 0.03960290529256 18.998 > 13 63 F 0.17340192861560 0.88478658538372 0.03960290529256 18.998 > 13 64 F 0.32659807138440 0.05145325205039 0.46039709470744 18.998 > 16 65 F 0.32659807138440 0.38478658538372 0.46039709470744 18.998 > 16 66 F 0.32659807138440 0.71811991871705 0.46039709470744 18.998 > 16 67 F 0.82659807138440 0.11521341461628 0.96039709470744 18.998 > 19 68 F 0.82659807138440 0.44854674794961 0.96039709470744 18.998 > 19 69 F 0.82659807138440 0.78188008128295 0.96039709470744 18.998 > 19 70 F 0.67340192861560 0.28188008128295 0.53960290529256 18.998 > 22 71 F 0.67340192861560 0.61521341461628 0.53960290529256 18.998 > 22 72 F 0.67340192861560 0.94854674794961 0.53960290529256 18.998 > 22 73 F 0.74628133727767 0.23763246671584 0.80338714509466 18.998 > 25 74 F 0.74628133727767 0.57096580004917 0.80338714509466 18.998 > 25 75 F 0.74628133727767 0.90429913338251 0.80338714509466 18.998 > 25 76 F 0.75371866272233 0.07096580004917 0.69661285490534 18.998 > 28 77 F 0.75371866272233 0.40429913338251 0.69661285490534 18.998 > 28 78 F 0.75371866272233 0.73763246671584 0.69661285490534 18.998 > 28 79 F 0.25371866272233 0.09570086661749 0.19661285490534 18.998 > 31 80 F 0.25371866272233 0.42903419995083 0.19661285490534 18.998 > 31 81 F 0.25371866272233 0.76236753328416 0.19661285490534 18.998 > 31 82 F 0.24628133727767 0.26236753328416 0.30338714509466 18.998 > 34 83 F 0.24628133727767 0.59570086661749 0.30338714509466 18.998 > 34 84 F 0.24628133727767 0.92903419995083 0.30338714509466 18.998 > 34 85 F 0.38672985347071 0.07077869338075 0.67833170349890 18.998 > 37 86 F 0.38672985347071 0.40411202671409 0.67833170349890 18.998 > 37 87 F 0.38672985347071 0.73744536004742 0.67833170349890 18.998 > 37 88 F 0.61327014652929 0.07077869338075 0.82166829650110 18.998 > 40 89 F 0.61327014652929 0.40411202671409 0.82166829650110 18.998 > 40 90 F 0.61327014652929 0.73744536004742 0.82166829650110 18.998 > 40 91 F 0.61327014652929 0.26255463995258 0.32166829650111 18.998 > 43 92 F 0.61327014652929 0.59588797328591 0.32166829650111 18.998 > 43 93 F 0.61327014652929 0.92922130661925 0.32166829650111 18.998 > 43 94 F 0.38672985347071 0.26255463995258 0.17833170349889 18.998 > 46 95 F 0.38672985347071 0.59588797328591 0.17833170349889 18.998 > 46 96 F 0.38672985347071 0.92922130661925 0.17833170349889 18.998 > 46 97 Sn 0.61336597611823 0.00776351240251 0.18442641954301 118.710 > 97 98 Sn 0.61336597611823 0.34109684573584 0.18442641954301 118.710 > 97 99 Sn 0.61336597611823 0.67443017906917 0.18442641954301 118.710 > 97 100 Sn 0.88663402388177 0.17443017906917 0.31557358045699 118.710 > 100 101 Sn 0.88663402388177 0.50776351240251 0.31557358045699 118.710 > 100 102 Sn 0.88663402388177 0.84109684573584 0.31557358045699 118.710 > 100 103 Sn 0.38663402388177 0.32556982093083 0.81557358045699 118.710 > 103 104 Sn 0.38663402388177 0.65890315426416 0.81557358045699 118.710 > 103 105 Sn 0.38663402388177 0.99223648759749 0.81557358045699 118.710 > 103 106 Sn 0.11336597611823 0.15890315426416 0.68442641954301 118.710 > 106 107 Sn 0.11336597611823 0.49223648759749 0.68442641954301 118.710 > 106 108 Sn 0.11336597611823 0.82556982093083 0.68442641954301 118.710 > 106 109 Sn 0.86993748608179 0.00027364988235 0.05822784994057 118.710 > 109 110 Sn 0.86993748608179 0.33360698321568 0.05822784994057 118.710 > 109 111 Sn 0.86993748608179 0.66694031654902 0.05822784994057 118.710 > 109 112 Sn 0.13006251391821 0.00027364988235 0.44177215005943 118.710 > 112 113 Sn 0.13006251391821 0.33360698321568 0.44177215005943 118.710 > 112 114 Sn 0.13006251391821 0.66694031654902 0.44177215005943 118.710 > 112 115 Sn 0.13006251391821 0.33305968345098 0.94177215005943 118.710 > 115 116 Sn 0.13006251391821 0.66639301678432 0.94177215005943 118.710 > 115 117 Sn 0.13006251391821 0.99972635011765 0.94177215005943 118.710 > 115 118 Sn 0.86993748608179 0.33305968345098 0.55822784994057 118.710 > 118 119 Sn 0.86993748608179 0.66639301678432 0.55822784994057 118.710 > 118 120 Sn 0.86993748608179 0.99972635011765 0.55822784994057 118.710 > 118 121 Sn 0.11336597611823 0.17443017906917 0.18442641954301 118.710 > 97 122 Sn 0.11336597611823 0.50776351240251 0.18442641954301 118.710 > 97 123 Sn 0.11336597611823 0.84109684573584 0.18442641954301 118.710 > 97 124 Sn 0.38663402388177 0.00776351240251 0.31557358045699 118.710 > 100 125 Sn 0.38663402388177 0.34109684573584 0.31557358045699 118.710 > 100 126 Sn 0.38663402388177 0.67443017906917 0.31557358045699 118.710 > 100 127 Sn 0.88663402388177 0.15890315426416 0.81557358045699 118.710 > 103 128 Sn 0.88663402388177 0.49223648759749 0.81557358045699 118.710 > 103 129 Sn 0.88663402388177 0.82556982093083 0.81557358045699 118.710 > 103 130 Sn 0.61336597611823 0.32556982093083 0.68442641954301 118.710 > 106 131 Sn 0.61336597611823 0.65890315426416 0.68442641954301 118.710 > 106 132 Sn 0.61336597611823 0.99223648759749 0.68442641954301 118.710 > 106 133 Sn 0.36993748608179 0.16694031654902 0.05822784994057 118.710 > 109 134 Sn 0.36993748608179 0.50027364988235 0.05822784994057 118.710 > 109 135 Sn 0.36993748608179 0.83360698321568 0.05822784994057 118.710 > 109 136 Sn 0.63006251391821 0.16694031654902 0.44177215005943 118.710 > 112 137 Sn 0.63006251391821 0.50027364988235 0.44177215005943 118.710 > 112 138 Sn 0.63006251391821 0.83360698321568 0.44177215005943 118.710 > 112 139 Sn 0.63006251391821 0.16639301678432 0.94177215005943 118.710 > 115 140 Sn 0.63006251391821 0.49972635011765 0.94177215005943 118.710 > 115 141 Sn 0.63006251391821 0.83305968345098 0.94177215005943 118.710 > 115 142 Sn 0.36993748608179 0.16639301678432 0.55822784994057 118.710 > 118 143 Sn 0.36993748608179 0.49972635011765 0.55822784994057 118.710 > 118 144 Sn 0.36993748608179 0.83305968345098 0.55822784994057 118.710 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0333724 0.0000000 0.1150822 0.0000000 3.7198420 0.0000000 0.1151011 0.0000000 3.8503264 -------------------------- Born effective charges -------------------------- 1 F -1.8574301 0.6135278 -0.0405824 0.4236015 -1.6997948 0.7134967 -0.0031553 0.7800322 -1.2817022 2 F -1.8574301 -0.6135278 -0.0405824 -0.4236015 -1.6997948 -0.7134967 -0.0031553 -0.7800322 -1.2817022 3 F -1.8574301 0.6135278 -0.0405824 0.4236015 -1.6997948 0.7134967 -0.0031553 0.7800322 -1.2817022 4 F -1.8574301 -0.6135278 -0.0405824 -0.4236015 -1.6997948 -0.7134967 -0.0031553 -0.7800322 -1.2817022 5 F -1.6167808 0.3100612 0.3679673 0.0841852 -1.6352850 0.7993048 0.3673248 1.0431402 -1.6858292 6 F -1.6167808 -0.3100612 0.3679673 -0.0841852 -1.6352850 -0.7993048 0.3673248 -1.0431402 -1.6858292 7 F -1.6167808 0.3100612 0.3679673 0.0841852 -1.6352850 0.7993048 0.3673248 1.0431402 -1.6858292 8 F -1.6167808 -0.3100612 0.3679673 -0.0841852 -1.6352850 -0.7993048 0.3673248 -1.0431402 -1.6858292 9 F -2.1810561 1.0270906 -0.4934162 0.8345923 -1.3262381 0.5511842 -0.3710640 0.4930416 -1.1821690 10 F -2.1810561 -1.0270906 -0.4934162 -0.8345923 -1.3262381 -0.5511842 -0.3710640 -0.4930416 -1.1821690 11 F -2.1810561 1.0270906 -0.4934162 0.8345923 -1.3262381 0.5511842 -0.3710640 0.4930416 -1.1821690 12 F -2.1810561 -1.0270906 -0.4934162 -0.8345923 -1.3262381 -0.5511842 -0.3710640 -0.4930416 -1.1821690 13 F -0.8580404 -0.1058185 0.3680275 -0.1810576 -1.6695987 1.2460886 0.3694111 1.3708204 -2.1566156 14 F -0.8580404 0.1058185 0.3680275 0.1810576 -1.6695987 -1.2460886 0.3694111 -1.3708204 -2.1566156 15 F -0.8580404 -0.1058185 0.3680275 -0.1810576 -1.6695987 1.2460886 0.3694111 1.3708204 -2.1566156 16 F -0.8580404 0.1058185 0.3680275 0.1810576 -1.6695987 -1.2460886 0.3694111 -1.3708204 -2.1566156 17 Sn 3.1244186 0.4309310 0.0759452 0.4411158 3.1997308 0.1040993 -0.1474029 0.1443567 3.4463297 18 Sn 3.1244186 -0.4309310 0.0759452 -0.4411158 3.1997308 -0.1040993 -0.1474029 -0.1443567 3.4463297 19 Sn 3.1244186 0.4309310 0.0759452 0.4411158 3.1997308 0.1040993 -0.1474029 0.1443567 3.4463297 20 Sn 3.1244186 -0.4309310 0.0759452 -0.4411158 3.1997308 -0.1040993 -0.1474029 -0.1443567 3.4463297 21 Sn 3.3888888 -0.1229271 -0.2779415 -0.0641668 3.1311859 0.1510298 -0.2151136 -0.0238736 2.8599863 22 Sn 3.3888888 0.1229271 -0.2779415 0.0641668 3.1311859 -0.1510298 -0.2151136 0.0238736 2.8599863 23 Sn 3.3888888 -0.1229271 -0.2779415 -0.0641668 3.1311859 0.1510298 -0.2151136 -0.0238736 2.8599863 24 Sn 3.3888888 0.1229271 -0.2779415 0.0641668 3.1311859 -0.1510298 -0.2151136 0.0238736 2.8599863 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 13, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 37, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 109, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:16:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:16:12]------------------------- 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 3 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.349971580038476 -2.459012725000000 0.000000000000000 b 6.349971580038476 2.459012725000000 0.000000000000000 c -4.219838522610154 0.000000000000000 13.157435440324130 Atomic positions (fractional): 1 F 0.80465231815093 0.11524203316510 0.41511004641360 18.998 2 F 0.88475796683490 0.19534768184907 0.08488995358640 18.998 3 F 0.19534768184907 0.88475796683490 0.58488995358640 18.998 4 F 0.11524203316510 0.80465231815093 0.91511004641360 18.998 5 F 0.51904217246444 0.82776168476676 0.03960290529256 18.998 6 F 0.17223831523324 0.48095782753556 0.46039709470744 18.998 7 F 0.48095782753556 0.17223831523324 0.96039709470744 18.998 8 F 0.82776168476676 0.51904217246444 0.53960290529256 18.998 9 F 0.03338393713015 0.45917873742518 0.80338714509466 18.998 10 F 0.54082126257482 0.96661606286985 0.69661285490534 18.998 11 F 0.96661606286985 0.54082126257482 0.19661285490534 18.998 12 F 0.45917873742518 0.03338393713015 0.30338714509466 18.998 13 F 0.17439377332845 0.59906593361298 0.67833170349890 18.998 14 F 0.40093406638702 0.82560622667155 0.82166829650110 18.998 15 F 0.82560622667155 0.40093406638702 0.32166829650111 18.998 16 F 0.59906593361298 0.17439377332845 0.17833170349889 18.998 17 Sn 0.59007543891072 0.63665651332575 0.18442641954301 118.710 18 Sn 0.36334348667425 0.40992456108928 0.31557358045699 118.710 19 Sn 0.40992456108928 0.36334348667425 0.81557358045699 118.710 20 Sn 0.63665651332575 0.59007543891072 0.68442641954301 118.710 21 Sn 0.86911653643474 0.87075843572885 0.05822784994057 118.710 22 Sn 0.12924156427115 0.13088346356526 0.44177215005943 118.710 23 Sn 0.13088346356526 0.12924156427115 0.94177215005943 118.710 24 Sn 0.87075843572885 0.86911653643474 0.55822784994057 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.699943160076952 0.000000000000000 0.000000000000000 b 0.000000000000000 14.754076349999998 0.000000000000000 c -4.219838522610154 0.000000000000000 13.157435440324130 Atomic positions (fractional): 1 F 0.95994717565802 0.05176495250236 0.41511004641360 18.998 > 1 2 F 0.95994717565802 0.38509828583570 0.41511004641360 18.998 > 1 3 F 0.95994717565802 0.71843161916903 0.41511004641360 18.998 > 1 4 F 0.04005282434198 0.05176495250236 0.08488995358640 18.998 > 4 5 F 0.04005282434198 0.38509828583570 0.08488995358640 18.998 > 4 6 F 0.04005282434198 0.71843161916903 0.08488995358640 18.998 > 4 7 F 0.04005282434198 0.28156838083097 0.58488995358640 18.998 > 7 8 F 0.04005282434198 0.61490171416430 0.58488995358640 18.998 > 7 9 F 0.04005282434198 0.94823504749764 0.58488995358640 18.998 > 7 10 F 0.95994717565802 0.28156838083097 0.91511004641360 18.998 > 10 11 F 0.95994717565802 0.61490171416430 0.91511004641360 18.998 > 10 12 F 0.95994717565802 0.94823504749764 0.91511004641360 18.998 > 10 13 F 0.67340192861560 0.05145325205039 0.03960290529256 18.998 > 13 14 F 0.67340192861560 0.38478658538372 0.03960290529256 18.998 > 13 15 F 0.67340192861560 0.71811991871705 0.03960290529256 18.998 > 13 16 F 0.82659807138440 0.21811991871705 0.46039709470744 18.998 > 16 17 F 0.82659807138440 0.55145325205039 0.46039709470744 18.998 > 16 18 F 0.82659807138440 0.88478658538372 0.46039709470744 18.998 > 16 19 F 0.32659807138440 0.28188008128295 0.96039709470744 18.998 > 19 20 F 0.32659807138440 0.61521341461628 0.96039709470744 18.998 > 19 21 F 0.32659807138440 0.94854674794961 0.96039709470744 18.998 > 19 22 F 0.17340192861560 0.11521341461628 0.53960290529256 18.998 > 22 23 F 0.17340192861560 0.44854674794961 0.53960290529256 18.998 > 22 24 F 0.17340192861560 0.78188008128295 0.53960290529256 18.998 > 22 25 F 0.24628133727767 0.07096580004917 0.80338714509466 18.998 > 25 26 F 0.24628133727767 0.40429913338251 0.80338714509466 18.998 > 25 27 F 0.24628133727767 0.73763246671584 0.80338714509466 18.998 > 25 28 F 0.25371866272233 0.23763246671584 0.69661285490534 18.998 > 28 29 F 0.25371866272233 0.57096580004917 0.69661285490534 18.998 > 28 30 F 0.25371866272233 0.90429913338251 0.69661285490534 18.998 > 28 31 F 0.75371866272233 0.26236753328416 0.19661285490534 18.998 > 31 32 F 0.75371866272233 0.59570086661749 0.19661285490534 18.998 > 31 33 F 0.75371866272233 0.92903419995083 0.19661285490534 18.998 > 31 34 F 0.74628133727767 0.09570086661749 0.30338714509466 18.998 > 34 35 F 0.74628133727767 0.42903419995083 0.30338714509466 18.998 > 34 36 F 0.74628133727767 0.76236753328416 0.30338714509466 18.998 > 34 37 F 0.88672985347071 0.23744536004742 0.67833170349890 18.998 > 37 38 F 0.88672985347071 0.57077869338075 0.67833170349890 18.998 > 37 39 F 0.88672985347071 0.90411202671409 0.67833170349890 18.998 > 37 40 F 0.11327014652929 0.23744536004742 0.82166829650110 18.998 > 40 41 F 0.11327014652929 0.57077869338075 0.82166829650110 18.998 > 40 42 F 0.11327014652929 0.90411202671409 0.82166829650110 18.998 > 40 43 F 0.11327014652929 0.09588797328591 0.32166829650111 18.998 > 43 44 F 0.11327014652929 0.42922130661925 0.32166829650111 18.998 > 43 45 F 0.11327014652929 0.76255463995258 0.32166829650111 18.998 > 43 46 F 0.88672985347071 0.09588797328591 0.17833170349889 18.998 > 46 47 F 0.88672985347071 0.42922130661925 0.17833170349889 18.998 > 46 48 F 0.88672985347071 0.76255463995258 0.17833170349889 18.998 > 46 49 F 0.45994717565802 0.21843161916903 0.41511004641360 18.998 > 1 50 F 0.45994717565802 0.55176495250236 0.41511004641360 18.998 > 1 51 F 0.45994717565802 0.88509828583570 0.41511004641360 18.998 > 1 52 F 0.54005282434198 0.21843161916903 0.08488995358640 18.998 > 4 53 F 0.54005282434198 0.55176495250236 0.08488995358640 18.998 > 4 54 F 0.54005282434198 0.88509828583570 0.08488995358640 18.998 > 4 55 F 0.54005282434198 0.11490171416430 0.58488995358640 18.998 > 7 56 F 0.54005282434198 0.44823504749764 0.58488995358640 18.998 > 7 57 F 0.54005282434198 0.78156838083097 0.58488995358640 18.998 > 7 58 F 0.45994717565802 0.11490171416430 0.91511004641360 18.998 > 10 59 F 0.45994717565802 0.44823504749764 0.91511004641360 18.998 > 10 60 F 0.45994717565802 0.78156838083097 0.91511004641360 18.998 > 10 61 F 0.17340192861560 0.21811991871705 0.03960290529256 18.998 > 13 62 F 0.17340192861560 0.55145325205039 0.03960290529256 18.998 > 13 63 F 0.17340192861560 0.88478658538372 0.03960290529256 18.998 > 13 64 F 0.32659807138440 0.05145325205039 0.46039709470744 18.998 > 16 65 F 0.32659807138440 0.38478658538372 0.46039709470744 18.998 > 16 66 F 0.32659807138440 0.71811991871705 0.46039709470744 18.998 > 16 67 F 0.82659807138440 0.11521341461628 0.96039709470744 18.998 > 19 68 F 0.82659807138440 0.44854674794961 0.96039709470744 18.998 > 19 69 F 0.82659807138440 0.78188008128295 0.96039709470744 18.998 > 19 70 F 0.67340192861560 0.28188008128295 0.53960290529256 18.998 > 22 71 F 0.67340192861560 0.61521341461628 0.53960290529256 18.998 > 22 72 F 0.67340192861560 0.94854674794961 0.53960290529256 18.998 > 22 73 F 0.74628133727767 0.23763246671584 0.80338714509466 18.998 > 25 74 F 0.74628133727767 0.57096580004917 0.80338714509466 18.998 > 25 75 F 0.74628133727767 0.90429913338251 0.80338714509466 18.998 > 25 76 F 0.75371866272233 0.07096580004917 0.69661285490534 18.998 > 28 77 F 0.75371866272233 0.40429913338251 0.69661285490534 18.998 > 28 78 F 0.75371866272233 0.73763246671584 0.69661285490534 18.998 > 28 79 F 0.25371866272233 0.09570086661749 0.19661285490534 18.998 > 31 80 F 0.25371866272233 0.42903419995083 0.19661285490534 18.998 > 31 81 F 0.25371866272233 0.76236753328416 0.19661285490534 18.998 > 31 82 F 0.24628133727767 0.26236753328416 0.30338714509466 18.998 > 34 83 F 0.24628133727767 0.59570086661749 0.30338714509466 18.998 > 34 84 F 0.24628133727767 0.92903419995083 0.30338714509466 18.998 > 34 85 F 0.38672985347071 0.07077869338075 0.67833170349890 18.998 > 37 86 F 0.38672985347071 0.40411202671409 0.67833170349890 18.998 > 37 87 F 0.38672985347071 0.73744536004742 0.67833170349890 18.998 > 37 88 F 0.61327014652929 0.07077869338075 0.82166829650110 18.998 > 40 89 F 0.61327014652929 0.40411202671409 0.82166829650110 18.998 > 40 90 F 0.61327014652929 0.73744536004742 0.82166829650110 18.998 > 40 91 F 0.61327014652929 0.26255463995258 0.32166829650111 18.998 > 43 92 F 0.61327014652929 0.59588797328591 0.32166829650111 18.998 > 43 93 F 0.61327014652929 0.92922130661925 0.32166829650111 18.998 > 43 94 F 0.38672985347071 0.26255463995258 0.17833170349889 18.998 > 46 95 F 0.38672985347071 0.59588797328591 0.17833170349889 18.998 > 46 96 F 0.38672985347071 0.92922130661925 0.17833170349889 18.998 > 46 97 Sn 0.61336597611823 0.00776351240251 0.18442641954301 118.710 > 97 98 Sn 0.61336597611823 0.34109684573584 0.18442641954301 118.710 > 97 99 Sn 0.61336597611823 0.67443017906917 0.18442641954301 118.710 > 97 100 Sn 0.88663402388177 0.17443017906917 0.31557358045699 118.710 > 100 101 Sn 0.88663402388177 0.50776351240251 0.31557358045699 118.710 > 100 102 Sn 0.88663402388177 0.84109684573584 0.31557358045699 118.710 > 100 103 Sn 0.38663402388177 0.32556982093083 0.81557358045699 118.710 > 103 104 Sn 0.38663402388177 0.65890315426416 0.81557358045699 118.710 > 103 105 Sn 0.38663402388177 0.99223648759749 0.81557358045699 118.710 > 103 106 Sn 0.11336597611823 0.15890315426416 0.68442641954301 118.710 > 106 107 Sn 0.11336597611823 0.49223648759749 0.68442641954301 118.710 > 106 108 Sn 0.11336597611823 0.82556982093083 0.68442641954301 118.710 > 106 109 Sn 0.86993748608179 0.00027364988235 0.05822784994057 118.710 > 109 110 Sn 0.86993748608179 0.33360698321568 0.05822784994057 118.710 > 109 111 Sn 0.86993748608179 0.66694031654902 0.05822784994057 118.710 > 109 112 Sn 0.13006251391821 0.00027364988235 0.44177215005943 118.710 > 112 113 Sn 0.13006251391821 0.33360698321568 0.44177215005943 118.710 > 112 114 Sn 0.13006251391821 0.66694031654902 0.44177215005943 118.710 > 112 115 Sn 0.13006251391821 0.33305968345098 0.94177215005943 118.710 > 115 116 Sn 0.13006251391821 0.66639301678432 0.94177215005943 118.710 > 115 117 Sn 0.13006251391821 0.99972635011765 0.94177215005943 118.710 > 115 118 Sn 0.86993748608179 0.33305968345098 0.55822784994057 118.710 > 118 119 Sn 0.86993748608179 0.66639301678432 0.55822784994057 118.710 > 118 120 Sn 0.86993748608179 0.99972635011765 0.55822784994057 118.710 > 118 121 Sn 0.11336597611823 0.17443017906917 0.18442641954301 118.710 > 97 122 Sn 0.11336597611823 0.50776351240251 0.18442641954301 118.710 > 97 123 Sn 0.11336597611823 0.84109684573584 0.18442641954301 118.710 > 97 124 Sn 0.38663402388177 0.00776351240251 0.31557358045699 118.710 > 100 125 Sn 0.38663402388177 0.34109684573584 0.31557358045699 118.710 > 100 126 Sn 0.38663402388177 0.67443017906917 0.31557358045699 118.710 > 100 127 Sn 0.88663402388177 0.15890315426416 0.81557358045699 118.710 > 103 128 Sn 0.88663402388177 0.49223648759749 0.81557358045699 118.710 > 103 129 Sn 0.88663402388177 0.82556982093083 0.81557358045699 118.710 > 103 130 Sn 0.61336597611823 0.32556982093083 0.68442641954301 118.710 > 106 131 Sn 0.61336597611823 0.65890315426416 0.68442641954301 118.710 > 106 132 Sn 0.61336597611823 0.99223648759749 0.68442641954301 118.710 > 106 133 Sn 0.36993748608179 0.16694031654902 0.05822784994057 118.710 > 109 134 Sn 0.36993748608179 0.50027364988235 0.05822784994057 118.710 > 109 135 Sn 0.36993748608179 0.83360698321568 0.05822784994057 118.710 > 109 136 Sn 0.63006251391821 0.16694031654902 0.44177215005943 118.710 > 112 137 Sn 0.63006251391821 0.50027364988235 0.44177215005943 118.710 > 112 138 Sn 0.63006251391821 0.83360698321568 0.44177215005943 118.710 > 112 139 Sn 0.63006251391821 0.16639301678432 0.94177215005943 118.710 > 115 140 Sn 0.63006251391821 0.49972635011765 0.94177215005943 118.710 > 115 141 Sn 0.63006251391821 0.83305968345098 0.94177215005943 118.710 > 115 142 Sn 0.36993748608179 0.16639301678432 0.55822784994057 118.710 > 118 143 Sn 0.36993748608179 0.49972635011765 0.55822784994057 118.710 > 118 144 Sn 0.36993748608179 0.83305968345098 0.55822784994057 118.710 > 118 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0333724 0.0000000 0.1150822 0.0000000 3.7198420 0.0000000 0.1151011 0.0000000 3.8503264 -------------------------- Born effective charges -------------------------- 1 F -1.8574301 0.6135278 -0.0405824 0.4236015 -1.6997948 0.7134967 -0.0031553 0.7800322 -1.2817022 2 F -1.8574301 -0.6135278 -0.0405824 -0.4236015 -1.6997948 -0.7134967 -0.0031553 -0.7800322 -1.2817022 3 F -1.8574301 0.6135278 -0.0405824 0.4236015 -1.6997948 0.7134967 -0.0031553 0.7800322 -1.2817022 4 F -1.8574301 -0.6135278 -0.0405824 -0.4236015 -1.6997948 -0.7134967 -0.0031553 -0.7800322 -1.2817022 5 F -1.6167808 0.3100612 0.3679673 0.0841852 -1.6352850 0.7993048 0.3673248 1.0431402 -1.6858292 6 F -1.6167808 -0.3100612 0.3679673 -0.0841852 -1.6352850 -0.7993048 0.3673248 -1.0431402 -1.6858292 7 F -1.6167808 0.3100612 0.3679673 0.0841852 -1.6352850 0.7993048 0.3673248 1.0431402 -1.6858292 8 F -1.6167808 -0.3100612 0.3679673 -0.0841852 -1.6352850 -0.7993048 0.3673248 -1.0431402 -1.6858292 9 F -2.1810561 1.0270906 -0.4934162 0.8345923 -1.3262381 0.5511842 -0.3710640 0.4930416 -1.1821690 10 F -2.1810561 -1.0270906 -0.4934162 -0.8345923 -1.3262381 -0.5511842 -0.3710640 -0.4930416 -1.1821690 11 F -2.1810561 1.0270906 -0.4934162 0.8345923 -1.3262381 0.5511842 -0.3710640 0.4930416 -1.1821690 12 F -2.1810561 -1.0270906 -0.4934162 -0.8345923 -1.3262381 -0.5511842 -0.3710640 -0.4930416 -1.1821690 13 F -0.8580404 -0.1058185 0.3680275 -0.1810576 -1.6695987 1.2460886 0.3694111 1.3708204 -2.1566156 14 F -0.8580404 0.1058185 0.3680275 0.1810576 -1.6695987 -1.2460886 0.3694111 -1.3708204 -2.1566156 15 F -0.8580404 -0.1058185 0.3680275 -0.1810576 -1.6695987 1.2460886 0.3694111 1.3708204 -2.1566156 16 F -0.8580404 0.1058185 0.3680275 0.1810576 -1.6695987 -1.2460886 0.3694111 -1.3708204 -2.1566156 17 Sn 3.1244186 0.4309310 0.0759452 0.4411158 3.1997308 0.1040993 -0.1474029 0.1443567 3.4463297 18 Sn 3.1244186 -0.4309310 0.0759452 -0.4411158 3.1997308 -0.1040993 -0.1474029 -0.1443567 3.4463297 19 Sn 3.1244186 0.4309310 0.0759452 0.4411158 3.1997308 0.1040993 -0.1474029 0.1443567 3.4463297 20 Sn 3.1244186 -0.4309310 0.0759452 -0.4411158 3.1997308 -0.1040993 -0.1474029 -0.1443567 3.4463297 21 Sn 3.3888888 -0.1229271 -0.2779415 -0.0641668 3.1311859 0.1510298 -0.2151136 -0.0238736 2.8599863 22 Sn 3.3888888 0.1229271 -0.2779415 0.0641668 3.1311859 -0.1510298 -0.2151136 0.0238736 2.8599863 23 Sn 3.3888888 -0.1229271 -0.2779415 -0.0641668 3.1311859 0.1510298 -0.2151136 -0.0238736 2.8599863 24 Sn 3.3888888 0.1229271 -0.2779415 0.0641668 3.1311859 -0.1510298 -0.2151136 0.0238736 2.8599863 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 4 ] 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: 0.56, Number of G-points: 307, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/138) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 138 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 1.101 ( 0.000 0.000 0.000) 0.000 1.230 ( 0.000 0.000 0.000) 0.000 1.320 ( 0.000 0.000 0.000) 0.000 1.397 ( 0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 0.000) 0.000 1.677 ( 0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.241 ( 0.000 0.000 0.000) 0.000 2.347 ( 0.000 0.000 0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 2.819 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.183 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.705 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 4.037 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.784 ( 0.000 0.000 0.000) 0.000 4.786 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.132 ( 0.000 0.000 0.000) 0.000 5.163 ( 0.000 0.000 0.000) 0.000 5.258 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.794 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 6.056 ( 0.000 0.000 0.000) 0.000 6.129 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.324 ( 0.000 0.000 0.000) 0.000 6.989 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.664 ( 0.000 0.000 0.000) 0.000 7.700 ( 0.000 0.000 0.000) 0.000 8.319 ( 0.000 0.000 0.000) 0.000 8.446 ( 0.000 0.000 0.000) 0.000 8.956 ( 0.000 0.000 0.000) 0.000 9.062 ( 0.000 0.000 0.000) 0.000 9.608 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 10.043 ( 0.000 0.000 0.000) 0.000 10.547 ( 0.000 0.000 0.000) 0.000 10.602 ( 0.000 0.000 0.000) 0.000 11.209 ( 0.000 0.000 0.000) 0.000 11.458 ( 0.000 0.000 0.000) 0.000 11.794 ( 0.000 0.000 0.000) 0.000 11.948 ( 0.000 0.000 0.000) 0.000 12.345 ( 0.000 0.000 0.000) 0.000 12.696 ( 0.000 0.000 0.000) 0.000 13.556 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/138) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.329 ( 0.646 -17.735 -2.715) 17.954 0.375 ( 6.852 -16.972 -1.944) 18.406 0.468 ( 11.522 -18.772 12.288) 25.222 1.092 ( -1.981 2.264 -8.695) 9.201 1.140 ( -2.941 1.761 3.109) 4.628 1.376 ( 2.955 1.018 -5.140) 6.016 1.439 ( 5.967 0.881 6.509) 8.874 1.539 ( 0.922 3.176 1.872) 3.800 1.683 ( 0.149 -0.254 -1.365) 1.396 1.781 ( -2.468 -5.726 3.197) 7.007 1.911 ( -1.122 -5.780 -4.278) 7.278 2.035 ( 1.305 -1.702 1.232) 2.474 2.195 ( 23.160 6.766 -8.797) 25.682 2.308 ( 3.628 -1.637 1.266) 4.177 2.317 ( 2.225 0.353 0.044) 2.253 2.489 ( -1.163 0.114 -2.346) 2.621 2.682 ( -2.680 1.944 -2.492) 4.144 2.732 ( -7.486 -0.553 -3.174) 8.150 2.796 ( -2.414 -1.015 -7.020) 7.492 2.858 ( 0.277 0.960 -2.495) 2.688 2.983 ( 1.206 0.218 0.963) 1.559 3.000 ( -1.776 0.301 9.359) 9.531 3.072 ( -0.509 3.047 1.894) 3.624 3.175 ( 0.703 0.717 0.092) 1.008 3.247 ( 2.982 -3.486 -1.193) 4.740 3.378 ( 4.022 0.425 -2.054) 4.536 3.615 ( -1.396 2.146 5.741) 6.286 3.664 ( 3.123 3.031 1.889) 4.744 3.714 ( 2.200 0.631 -1.729) 2.868 3.812 ( -1.490 -1.561 -1.054) 2.402 4.037 ( 0.014 -0.124 0.080) 0.148 4.184 ( -0.367 0.424 0.552) 0.787 4.288 ( 8.417 0.713 -5.426) 10.040 4.529 ( -5.008 3.675 -1.659) 6.430 4.584 ( 1.353 3.118 1.947) 3.917 4.733 ( -3.288 1.441 2.649) 4.461 4.774 ( 4.152 -2.465 -2.073) 5.255 4.992 ( -0.036 6.396 0.635) 6.428 5.100 ( -6.795 -1.432 -12.565) 14.356 5.214 ( -3.194 2.767 0.030) 4.226 5.246 ( -0.799 -4.996 0.840) 5.129 5.546 ( -1.781 0.134 -1.083) 2.089 5.602 ( 6.803 -0.188 1.183) 6.908 5.729 ( -7.883 1.674 -1.675) 8.231 5.766 ( 2.043 -0.737 1.097) 2.433 5.881 ( 2.201 4.101 0.743) 4.713 6.024 ( -1.491 -0.826 -1.260) 2.120 6.131 ( 3.638 2.037 1.192) 4.337 6.267 ( -1.068 -7.049 -1.701) 7.330 6.328 ( 1.310 -0.241 -1.346) 1.894 6.436 ( 7.102 5.813 15.842) 18.308 6.982 ( 0.726 0.883 -0.340) 1.193 7.107 ( -0.694 0.298 -1.558) 1.731 7.612 ( -6.465 1.075 -3.084) 7.243 7.676 ( -5.990 -0.168 0.235) 5.997 7.845 ( -12.018 -10.939 -3.155) 16.554 8.313 ( 1.054 2.527 -4.291) 5.090 8.627 ( 27.130 18.766 9.973) 34.463 8.989 ( 9.604 5.245 6.706) 12.835 9.056 ( 1.953 -0.709 -2.270) 3.077 9.590 ( -3.989 0.181 2.279) 4.598 9.661 ( 4.201 0.907 0.904) 4.392 10.050 ( -0.331 -0.958 -0.185) 1.031 10.568 ( 0.333 0.643 0.557) 0.913 10.646 ( 0.204 -3.067 -0.644) 3.141 11.375 ( -1.078 6.457 2.052) 6.861 11.630 ( -5.790 16.118 -2.804) 17.355 11.843 ( 0.587 -2.273 -0.425) 2.386 12.392 ( -7.076 -16.062 -4.499) 18.119 12.620 ( -1.006 -2.467 -3.393) 4.314 13.478 ( -5.896 5.940 -1.881) 8.578 14.302 ( -18.246 -3.041 4.026) 18.930 ======================= Grid point 2 (3/138) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -0.589 -15.806 -0.556) 15.827 0.695 ( 4.369 -12.823 -1.233) 13.603 0.894 ( 9.864 -14.709 7.468) 19.221 1.019 ( -0.501 -2.467 -6.465) 6.938 1.134 ( 1.400 1.706 5.743) 6.153 1.375 ( 1.030 -0.634 -6.468) 6.580 1.412 ( -2.243 2.145 6.392) 7.106 1.549 ( 3.363 -0.160 2.722) 4.330 1.675 ( 0.552 0.615 -2.739) 2.861 1.880 ( -0.998 -4.986 1.912) 5.433 2.002 ( -6.491 -6.306 -2.848) 9.488 2.089 ( 4.187 -0.626 -0.765) 4.302 2.186 ( 4.962 3.672 -1.463) 6.344 2.271 ( -3.896 -0.285 1.998) 4.388 2.445 ( 5.726 -2.320 1.623) 6.388 2.490 ( 2.522 -2.252 0.176) 3.386 2.624 ( -3.562 -0.293 -10.345) 10.945 2.661 ( -10.248 -0.417 0.479) 10.267 2.783 ( -6.900 -1.507 -1.834) 7.296 2.838 ( 5.097 2.131 -5.783) 7.998 2.959 ( -1.164 1.866 -1.427) 2.622 3.014 ( 0.368 -0.666 9.097) 9.129 3.036 ( 0.478 2.166 5.675) 6.093 3.184 ( 1.817 -0.620 -3.024) 3.582 3.330 ( 4.551 -2.398 -1.282) 5.302 3.380 ( 3.973 2.361 -0.616) 4.662 3.544 ( -1.039 4.956 4.638) 6.867 3.618 ( -4.826 2.027 0.229) 5.240 3.710 ( 2.775 1.115 -2.102) 3.656 3.835 ( -0.190 -1.692 -0.043) 1.703 4.042 ( -0.064 -0.099 -0.624) 0.635 4.184 ( 0.533 -0.489 0.440) 0.846 4.321 ( 5.080 0.514 -2.030) 5.495 4.406 ( -4.854 4.578 -2.088) 6.991 4.536 ( 0.045 3.522 2.208) 4.157 4.647 ( -1.157 4.680 2.243) 5.317 4.825 ( 2.234 2.451 0.409) 3.342 4.940 ( 0.486 -1.946 1.839) 2.721 5.047 ( -5.943 -0.639 -7.194) 9.354 5.131 ( -3.326 2.413 -1.161) 4.270 5.308 ( -1.158 -2.212 0.742) 2.604 5.497 ( -5.978 0.594 -4.377) 7.433 5.655 ( -2.776 -0.536 -3.963) 4.868 5.674 ( 5.848 -0.739 -0.721) 5.939 5.804 ( 1.004 -1.914 0.746) 2.287 5.864 ( 0.325 1.159 4.328) 4.492 6.013 ( -0.755 0.238 -4.021) 4.098 6.125 ( 1.883 1.065 2.414) 3.241 6.282 ( 1.206 2.897 -2.214) 3.841 6.342 ( -0.174 1.405 3.354) 3.641 6.450 ( 2.020 -0.788 7.962) 8.252 6.971 ( 2.227 1.342 -0.987) 2.782 7.092 ( 0.318 0.811 -0.591) 1.052 7.503 ( -9.791 3.534 -5.968) 11.999 7.657 ( -4.530 -1.950 2.859) 5.700 7.938 ( -3.380 -4.872 -0.403) 5.943 8.280 ( 10.569 3.527 -4.280) 11.936 8.522 ( 7.158 7.602 7.448) 12.826 8.893 ( -2.512 7.346 0.963) 7.823 9.101 ( 7.942 1.054 1.823) 8.217 9.575 ( -1.411 -0.492 -0.462) 1.564 9.680 ( 4.458 0.865 2.232) 5.060 10.074 ( 0.345 -1.728 -0.113) 1.766 10.563 ( 0.245 0.703 0.306) 0.805 10.703 ( 0.899 -2.815 -0.737) 3.045 11.229 ( 0.294 9.742 -9.763) 13.795 11.356 ( -2.781 8.141 10.482) 13.560 11.866 ( -1.689 -0.737 -2.365) 2.998 12.401 ( -8.819 2.861 -3.957) 10.080 12.808 ( 11.472 -8.623 4.900) 15.164 13.252 ( -10.280 11.217 -2.332) 15.393 14.212 ( -11.083 1.664 0.377) 11.214 ======================= Grid point 3 (4/138) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -1.360 -7.547 0.167) 7.671 0.921 ( 0.887 -11.295 0.602) 11.346 1.103 ( 6.284 -6.333 0.948) 8.971 1.108 ( -0.285 0.522 5.483) 5.516 1.258 ( 7.992 -9.510 3.721) 12.967 1.337 ( 0.671 2.372 -2.883) 3.793 1.431 ( 1.044 -1.749 -1.220) 2.374 1.572 ( 0.036 -0.304 -0.466) 0.557 1.695 ( 2.885 -3.231 1.053) 4.458 1.942 ( -0.837 -1.773 -0.457) 2.013 1.969 ( -0.956 5.375 1.914) 5.785 2.100 ( -6.448 -3.250 -11.595) 13.659 2.154 ( -1.628 1.614 -0.030) 2.293 2.291 ( -2.668 -2.995 6.816) 7.908 2.467 ( -3.382 -0.534 5.142) 6.178 2.569 ( -3.700 -1.620 -7.021) 8.100 2.603 ( 4.643 0.012 1.093) 4.770 2.627 ( -4.223 -0.426 2.180) 4.771 2.750 ( -6.405 -2.403 -4.083) 7.967 2.822 ( 1.665 1.450 -3.813) 4.406 2.929 ( 2.293 0.364 -6.016) 6.448 3.026 ( 1.685 1.004 6.784) 7.062 3.075 ( 3.917 -2.227 6.909) 8.248 3.195 ( 0.793 -0.457 -4.575) 4.665 3.343 ( 2.513 3.394 -1.422) 4.456 3.359 ( 2.504 2.897 0.493) 3.860 3.470 ( 1.532 3.632 5.184) 6.512 3.537 ( -7.569 0.892 -3.662) 8.456 3.723 ( -0.287 -2.220 0.949) 2.431 3.868 ( 2.767 -0.616 0.752) 2.933 4.021 ( -1.715 1.641 -1.000) 2.576 4.203 ( 0.100 -0.535 -0.112) 0.556 4.288 ( -6.429 1.887 -0.704) 6.738 4.325 ( 6.272 4.041 -2.460) 7.856 4.475 ( 1.104 3.810 0.263) 3.975 4.593 ( 0.095 0.856 4.565) 4.645 4.775 ( 2.258 3.509 2.047) 4.648 4.972 ( -3.523 0.038 1.569) 3.857 5.012 ( -6.156 -2.011 -5.364) 8.409 5.138 ( 3.406 -4.342 -2.189) 5.937 5.311 ( -2.860 0.939 2.648) 4.009 5.468 ( -6.230 -3.806 -4.438) 8.543 5.632 ( 0.322 1.011 -1.526) 1.858 5.713 ( 5.385 3.428 0.855) 6.441 5.833 ( -1.242 0.290 1.612) 2.055 5.843 ( -1.340 -1.363 -1.606) 2.496 5.999 ( 0.949 0.480 -4.202) 4.335 6.131 ( -1.489 -1.040 0.275) 1.837 6.224 ( 2.412 4.031 2.326) 5.242 6.312 ( -1.278 1.312 2.958) 3.479 6.483 ( 1.209 0.020 2.004) 2.341 6.951 ( 2.672 2.663 -1.729) 4.150 7.070 ( 1.047 2.706 1.966) 3.505 7.359 ( -10.334 1.117 -6.627) 12.327 7.686 ( -2.206 -2.578 3.470) 4.853 7.972 ( -0.506 -0.922 -0.075) 1.054 8.307 ( 10.298 2.254 -1.547) 10.655 8.485 ( 5.365 2.614 3.930) 7.146 8.719 ( -5.109 7.792 -0.046) 9.318 9.137 ( 6.130 0.723 2.319) 6.593 9.582 ( 0.486 -0.584 -0.752) 1.070 9.696 ( 2.922 1.066 2.230) 3.828 10.121 ( 2.157 -2.305 0.442) 3.187 10.529 ( -0.448 2.944 -1.241) 3.226 10.756 ( 1.849 -1.653 0.352) 2.505 11.012 ( -0.802 8.691 -13.145) 15.779 11.317 ( 0.629 0.433 16.271) 16.289 11.843 ( -2.433 0.378 -4.242) 4.905 12.254 ( -6.218 5.581 -0.254) 8.360 12.896 ( -3.728 13.635 -13.745) 19.716 13.065 ( 3.833 -4.970 15.803) 17.004 14.096 ( -9.052 2.494 -2.816) 9.803 ======================= Grid point 4 (5/138) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -0.001 -3.529 3.448) 4.934 1.080 ( -1.170 -0.289 6.948) 7.052 1.105 ( 1.007 -6.653 4.320) 7.996 1.287 ( 7.423 -4.135 -0.805) 8.535 1.297 ( -0.196 1.917 -2.674) 3.295 1.390 ( -0.017 -2.868 1.710) 3.339 1.456 ( 4.742 -0.358 -7.034) 8.491 1.592 ( 2.140 -1.166 2.141) 3.244 1.815 ( 1.213 -5.126 0.732) 5.318 1.887 ( -0.038 3.318 -1.576) 3.674 1.935 ( -0.619 0.031 1.547) 1.667 2.043 ( -1.720 1.285 -6.264) 6.622 2.155 ( -4.890 -3.609 -5.455) 8.167 2.296 ( -6.180 1.014 4.285) 7.588 2.453 ( -6.443 5.939 -2.357) 9.074 2.482 ( -2.048 -1.356 6.803) 7.233 2.618 ( -0.592 -1.315 1.500) 2.080 2.674 ( 2.597 -2.649 1.815) 4.130 2.744 ( -0.344 1.203 0.492) 1.345 2.816 ( -3.158 -2.397 -4.274) 5.829 2.933 ( 2.315 0.468 -7.486) 7.850 3.036 ( 1.704 0.768 0.891) 2.071 3.159 ( -0.275 -2.734 2.220) 3.533 3.212 ( 6.279 0.418 2.022) 6.610 3.278 ( 1.248 4.535 -1.456) 4.924 3.321 ( 0.408 0.700 2.648) 2.769 3.441 ( 1.471 2.408 5.930) 6.567 3.490 ( -4.172 -2.446 -6.796) 8.341 3.783 ( -2.965 -4.029 2.362) 5.531 3.890 ( 2.745 1.208 -0.610) 3.061 3.961 ( -0.484 2.560 -0.460) 2.646 4.173 ( -1.590 2.525 -0.956) 3.133 4.242 ( -3.635 -0.518 1.663) 4.031 4.305 ( 3.864 0.979 -2.414) 4.660 4.407 ( 2.948 4.332 -2.471) 5.793 4.627 ( -1.098 -2.405 3.747) 4.586 4.751 ( 4.056 2.085 3.948) 6.032 4.937 ( -1.785 1.014 -0.277) 2.071 5.008 ( -5.672 -3.140 -4.170) 7.708 5.218 ( -3.132 1.726 4.944) 6.102 5.297 ( 3.428 -3.632 -0.803) 5.058 5.502 ( -3.953 -3.492 -2.481) 5.829 5.615 ( 1.145 1.189 0.596) 1.755 5.637 ( -0.574 4.440 2.182) 4.981 5.821 ( 0.085 1.777 -3.196) 3.658 5.871 ( 0.383 -2.791 -3.118) 4.202 5.970 ( 0.577 2.112 -4.315) 4.839 6.137 ( -2.026 -1.233 -1.307) 2.707 6.184 ( 1.418 2.978 3.506) 4.813 6.309 ( -1.732 -1.999 1.636) 3.110 6.482 ( 1.844 1.450 1.043) 2.567 6.898 ( 0.847 3.684 -1.153) 3.952 7.020 ( 0.378 3.277 2.618) 4.211 7.309 ( -4.883 -2.393 -3.889) 6.686 7.721 ( -1.279 -1.615 2.231) 3.037 7.982 ( 0.740 -0.171 0.663) 1.008 8.303 ( 4.625 3.564 -0.183) 5.842 8.509 ( 0.669 -1.123 -1.255) 1.812 8.563 ( 0.906 6.409 1.753) 6.706 9.176 ( 4.225 -0.201 1.842) 4.613 9.595 ( 0.938 -0.441 -0.566) 1.181 9.690 ( 0.739 1.243 0.992) 1.753 10.188 ( 3.107 -2.704 0.589) 4.161 10.450 ( -1.108 4.360 -1.537) 4.754 10.771 ( 2.770 2.905 0.590) 4.057 10.871 ( -2.049 1.694 -9.594) 9.956 11.395 ( 4.116 -2.280 16.568) 17.223 11.811 ( -3.156 -0.368 -5.074) 5.987 12.132 ( -6.026 2.638 2.105) 6.906 12.548 ( -5.441 14.953 -10.562) 19.098 13.228 ( 7.100 -3.374 9.894) 12.637 13.990 ( -7.126 1.482 -4.476) 8.544 ======================= Grid point 5 (6/138) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -0.021 0.853 1.073) 1.371 1.132 ( -2.295 -2.681 5.388) 6.441 1.193 ( 1.867 0.350 2.248) 2.943 1.254 ( -1.074 -0.768 0.823) 1.556 1.328 ( 0.957 0.416 -3.913) 4.050 1.443 ( 4.253 0.631 -3.816) 5.749 1.529 ( 6.757 -4.070 3.346) 8.568 1.627 ( -4.352 -1.299 1.624) 4.823 1.755 ( -2.758 4.069 -3.976) 6.323 1.888 ( -0.952 -0.818 -1.632) 2.059 2.001 ( 4.582 -2.891 2.704) 6.055 2.042 ( 2.405 -0.874 -2.293) 3.436 2.168 ( -3.212 -1.941 -2.331) 4.418 2.229 ( -4.845 1.040 -0.399) 4.972 2.286 ( -4.519 5.688 1.350) 7.389 2.505 ( 0.231 -0.071 1.227) 1.251 2.677 ( 2.094 -3.201 0.654) 3.881 2.715 ( -3.164 -1.526 3.509) 4.965 2.753 ( 5.639 0.825 2.235) 6.122 2.800 ( -4.026 0.084 -2.533) 4.757 2.895 ( -1.140 1.765 -4.965) 5.391 3.025 ( 0.886 0.793 -1.488) 1.904 3.198 ( 0.054 -1.399 2.072) 2.501 3.214 ( 0.520 1.605 0.055) 1.688 3.235 ( 1.948 1.609 -0.037) 2.527 3.347 ( -0.413 -1.778 0.127) 1.830 3.429 ( 1.021 1.131 2.958) 3.328 3.545 ( 1.336 -4.390 -1.863) 4.953 3.770 ( -3.228 3.159 0.294) 4.526 3.877 ( -2.448 -1.462 0.909) 2.992 3.951 ( 3.880 1.211 -0.833) 4.149 4.129 ( -1.112 0.532 -0.267) 1.261 4.234 ( -0.244 0.387 1.084) 1.177 4.322 ( 0.377 -0.599 -0.890) 1.136 4.367 ( 2.002 1.003 -2.320) 3.224 4.644 ( -1.523 -0.098 1.832) 2.384 4.776 ( 2.987 -0.420 2.028) 3.635 4.907 ( -0.838 1.063 -0.300) 1.386 5.023 ( -2.486 -2.168 -2.794) 4.323 5.146 ( -1.769 2.811 4.184) 5.342 5.389 ( 1.838 -2.226 -0.678) 2.965 5.521 ( 0.858 -0.799 1.104) 1.611 5.580 ( -3.041 0.786 -2.501) 4.015 5.608 ( 0.070 0.350 1.162) 1.216 5.784 ( 0.535 1.242 -0.601) 1.480 5.873 ( -0.580 1.361 -1.695) 2.250 5.968 ( 1.238 -1.881 -3.312) 4.005 6.136 ( -1.700 0.905 1.659) 2.541 6.145 ( 0.918 1.189 0.106) 1.506 6.365 ( -1.370 -4.257 -0.485) 4.498 6.456 ( 1.494 2.949 1.177) 3.509 6.850 ( 0.102 1.317 0.083) 1.323 6.978 ( 0.038 1.582 0.935) 1.838 7.325 ( -1.116 -1.483 -0.980) 2.099 7.735 ( -0.484 -0.307 0.578) 0.815 7.992 ( 0.419 -0.188 0.638) 0.786 8.268 ( 1.473 1.745 -0.529) 2.344 8.464 ( -3.654 0.894 -0.020) 3.762 8.556 ( 4.209 0.698 0.214) 4.272 9.205 ( 1.658 -0.155 0.652) 1.788 9.607 ( 0.529 -0.230 -0.301) 0.650 9.672 ( -0.223 0.707 0.167) 0.760 10.266 ( 2.426 -3.493 0.178) 4.256 10.356 ( -1.612 4.298 -0.546) 4.623 10.721 ( 0.733 2.058 -0.886) 2.358 10.851 ( -0.470 -0.436 -2.423) 2.506 11.503 ( 4.171 -1.523 9.328) 10.331 11.792 ( -2.893 -1.066 -3.229) 4.465 12.091 ( -4.607 -1.760 2.794) 5.668 12.266 ( -0.308 9.506 -7.171) 11.911 13.322 ( 3.160 -0.965 3.964) 5.160 13.927 ( -2.988 0.347 -2.359) 3.823 ======================= Grid point 12 (7/138) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( 18.670 0.000 1.039) 18.699 0.290 ( 17.071 0.000 9.612) 19.591 0.351 ( 19.573 0.000 14.787) 24.531 1.082 ( -10.477 -0.000 -9.098) 13.876 1.105 ( 2.408 0.000 -4.894) 5.454 1.448 ( 2.706 0.000 -3.558) 4.471 1.489 ( -0.286 -0.000 9.908) 9.912 1.603 ( 4.741 0.000 3.186) 5.712 1.670 ( -0.991 -0.000 -0.258) 1.024 1.713 ( -4.761 -0.000 8.817) 10.020 1.838 ( -0.990 -0.000 -5.198) 5.291 2.059 ( 7.454 0.000 -0.006) 7.454 2.313 ( -4.334 -0.000 -5.104) 6.695 2.347 ( 11.990 0.000 1.879) 12.136 2.471 ( -0.843 -0.000 -5.318) 5.385 2.518 ( -10.851 -0.000 -11.406) 15.742 2.679 ( -5.210 -0.000 -7.069) 8.782 2.680 ( -9.488 -0.000 -8.143) 12.503 2.803 ( 8.310 0.000 -28.689) 29.868 2.866 ( 3.350 0.000 -2.726) 4.319 2.998 ( -5.549 -0.000 8.525) 10.172 3.001 ( 3.285 0.000 0.740) 3.367 3.117 ( -0.291 -0.000 4.055) 4.065 3.159 ( -0.422 -0.000 2.340) 2.377 3.240 ( 9.064 0.000 -5.370) 10.535 3.411 ( 6.915 0.000 -3.787) 7.884 3.678 ( -7.188 -0.000 9.359) 11.801 3.695 ( 0.241 0.000 2.400) 2.412 3.741 ( -5.692 -0.000 2.978) 6.424 3.811 ( 1.687 0.000 -1.689) 2.387 4.034 ( -0.106 -0.000 -0.252) 0.274 4.184 ( -0.300 -0.000 -3.136) 3.150 4.480 ( 10.831 0.000 -30.939) 32.780 4.502 ( -8.272 -0.000 0.065) 8.272 4.666 ( 1.760 0.000 0.464) 1.821 4.686 ( 4.124 0.000 2.201) 4.674 4.812 ( 2.638 0.000 2.250) 3.467 4.883 ( 0.106 0.000 -19.034) 19.034 5.090 ( -4.664 -0.000 -0.621) 4.706 5.159 ( 3.323 0.000 -0.230) 3.331 5.234 ( -4.303 -0.000 2.768) 5.116 5.507 ( -5.383 -0.000 0.560) 5.412 5.666 ( -10.863 -0.000 0.100) 10.864 5.677 ( 6.530 0.000 0.198) 6.533 5.761 ( -4.794 -0.000 0.995) 4.896 5.971 ( 1.075 0.000 -0.423) 1.155 6.065 ( 1.986 0.000 -2.424) 3.134 6.119 ( -2.154 -0.000 2.032) 2.961 6.221 ( 8.948 0.000 2.213) 9.218 6.339 ( 2.118 0.000 -0.858) 2.285 6.816 ( -4.840 -0.000 20.824) 21.379 6.997 ( 0.868 0.000 0.253) 0.904 7.002 ( -7.944 -0.000 -4.958) 9.365 7.346 ( 6.639 0.000 4.411) 7.971 7.619 ( -9.496 -0.000 -1.196) 9.571 7.681 ( 2.165 0.000 -0.118) 2.168 8.358 ( 7.798 0.000 -6.223) 9.977 8.973 ( -0.119 -0.000 5.959) 5.960 8.974 ( -7.147 -0.000 -11.000) 13.117 9.544 ( -15.119 -0.000 14.386) 20.870 9.643 ( 20.696 0.000 -45.474) 49.962 10.032 ( -1.671 -0.000 0.588) 1.772 10.077 ( -8.167 -0.000 45.981) 46.701 10.556 ( 1.314 0.000 -0.509) 1.409 10.607 ( 0.552 0.000 0.553) 0.782 11.200 ( -2.270 -0.000 0.940) 2.457 11.617 ( -0.380 -0.000 -18.373) 18.376 11.743 ( -5.511 -0.000 3.136) 6.340 12.031 ( 9.143 0.000 1.154) 9.216 12.464 ( 12.201 0.000 5.783) 13.502 13.485 ( -7.721 -0.000 -5.372) 9.406 14.011 ( -10.523 -0.000 22.190) 24.559 ======================= Grid point 13 (8/138) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 12.305 -6.832 4.710) 14.842 0.524 ( 12.743 -10.454 0.909) 16.507 0.726 ( 15.147 -14.787 13.114) 24.900 0.975 ( -6.075 1.006 -8.701) 10.660 1.142 ( 3.396 -2.178 -4.249) 5.859 1.408 ( 2.292 3.643 -2.819) 5.145 1.446 ( -4.106 3.065 6.722) 8.452 1.630 ( 3.137 3.444 5.164) 6.954 1.677 ( 1.335 -0.555 -0.705) 1.608 1.767 ( -2.112 -6.479 5.992) 9.075 1.855 ( -2.313 -3.714 -5.096) 6.716 2.134 ( 9.931 -0.654 0.239) 9.955 2.243 ( -7.171 0.962 -5.210) 8.916 2.331 ( -0.609 7.441 -4.775) 8.862 2.438 ( 1.216 -0.454 -5.196) 5.356 2.476 ( 7.518 -1.829 -2.719) 8.201 2.556 ( -9.612 1.705 -4.445) 10.727 2.628 ( -4.455 1.164 -0.353) 4.618 2.720 ( -2.821 1.062 -2.788) 4.106 2.882 ( 5.037 0.403 -8.235) 9.662 2.969 ( -3.019 1.032 3.715) 4.897 3.035 ( 2.804 -0.733 4.686) 5.510 3.092 ( -0.646 2.078 4.837) 5.304 3.185 ( -0.037 -0.136 3.740) 3.743 3.321 ( 8.467 -2.226 -4.418) 9.806 3.434 ( 4.129 1.072 -5.584) 7.027 3.605 ( -6.209 2.354 5.026) 8.328 3.646 ( -2.363 4.091 2.596) 5.390 3.724 ( -1.973 0.272 -0.030) 1.992 3.822 ( 3.584 -0.811 -1.493) 3.967 4.038 ( -0.035 -0.168 0.158) 0.234 4.173 ( -0.611 -0.434 -3.416) 3.497 4.379 ( -1.215 3.784 -2.219) 4.551 4.463 ( 3.578 2.898 -7.933) 9.173 4.583 ( -2.551 3.260 3.639) 5.511 4.728 ( 1.301 4.167 2.391) 4.977 4.839 ( 4.880 -3.573 1.449) 6.220 4.923 ( -7.635 -2.457 -8.273) 11.522 4.991 ( -2.179 3.391 0.067) 4.032 5.155 ( -5.526 3.586 1.101) 6.680 5.233 ( -1.518 -3.846 0.054) 4.135 5.511 ( -1.861 1.275 -1.279) 2.593 5.558 ( -10.838 -1.413 -3.395) 11.445 5.700 ( 2.388 0.453 -0.680) 2.524 5.769 ( 0.690 -2.121 -0.745) 2.351 5.916 ( 2.410 3.172 0.021) 3.984 6.029 ( 1.459 2.225 0.554) 2.718 6.166 ( 0.467 -0.829 -0.455) 1.054 6.293 ( 5.584 -1.350 -2.879) 6.425 6.357 ( 1.733 -0.158 1.696) 2.430 6.584 ( 1.597 10.530 16.616) 19.736 6.997 ( 1.861 0.114 -1.521) 2.406 7.072 ( -2.422 -2.955 -2.072) 4.346 7.442 ( -13.785 -0.476 -3.418) 14.210 7.590 ( -2.804 -3.144 1.793) 4.578 7.778 ( 0.121 -8.218 -0.014) 8.219 8.395 ( 11.281 1.669 -6.071) 12.919 8.743 ( -3.235 11.266 -1.359) 11.800 9.002 ( -3.747 1.727 0.735) 4.191 9.362 ( 9.704 15.533 13.899) 22.992 9.577 ( 11.785 6.301 -12.738) 18.463 9.746 ( 2.253 4.007 13.381) 14.148 10.044 ( -0.109 -1.319 0.239) 1.345 10.577 ( 0.128 0.653 1.210) 1.381 10.649 ( 0.974 -3.244 -1.578) 3.737 11.346 ( -7.417 0.665 7.036) 10.245 11.484 ( -6.786 8.871 -11.363) 15.933 11.840 ( -1.158 -3.145 -0.197) 3.357 12.227 ( -4.563 -11.915 -3.620) 13.263 12.722 ( 9.440 -11.522 7.460) 16.659 13.327 ( -10.775 7.339 -6.268) 14.465 14.079 ( -13.794 -6.098 5.157) 15.939 ======================= Grid point 14 (9/138) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 5.261 -9.602 1.861) 11.106 0.770 ( 6.176 -7.984 -0.264) 10.097 0.976 ( 3.039 -6.882 -0.892) 7.576 1.115 ( 9.302 -10.807 6.046) 15.488 1.198 ( 6.992 -1.176 1.283) 7.205 1.363 ( 0.959 1.095 -6.339) 6.504 1.405 ( -1.767 -0.208 3.365) 3.807 1.590 ( -0.452 1.797 3.187) 3.687 1.695 ( 4.146 0.042 1.565) 4.432 1.881 ( -2.503 -5.033 3.545) 6.645 1.896 ( -3.296 -4.238 -7.211) 8.990 2.120 ( -3.541 4.448 -2.698) 6.293 2.201 ( -2.395 4.986 -2.539) 6.086 2.245 ( 2.759 -2.119 4.400) 5.609 2.430 ( -10.456 -3.016 -5.696) 12.283 2.470 ( 1.944 -0.287 -1.489) 2.465 2.561 ( -5.601 -3.932 -2.017) 7.134 2.634 ( 3.891 -0.509 3.686) 5.384 2.680 ( -1.727 0.897 0.550) 2.023 2.879 ( 4.295 2.672 -6.538) 8.266 2.935 ( 0.107 0.753 -3.086) 3.179 3.080 ( 1.331 0.748 5.394) 5.606 3.093 ( 3.930 -0.985 8.318) 9.253 3.183 ( -0.110 -0.130 -0.953) 0.968 3.398 ( 5.153 -0.257 -6.256) 8.109 3.403 ( 1.286 1.806 -3.287) 3.964 3.506 ( -8.796 3.113 -0.557) 9.348 3.572 ( 0.311 4.171 6.677) 7.878 3.696 ( -2.241 0.461 1.203) 2.584 3.873 ( 3.267 -1.834 0.599) 3.794 4.026 ( -1.761 0.805 -1.659) 2.550 4.180 ( -0.813 -1.323 -2.338) 2.807 4.284 ( -6.244 2.621 -1.007) 6.846 4.435 ( 6.148 3.277 -4.870) 8.500 4.519 ( -2.039 2.122 3.244) 4.380 4.670 ( 2.099 4.243 4.151) 6.296 4.827 ( -3.439 1.592 -1.533) 4.088 4.938 ( -2.721 0.716 -1.638) 3.256 4.962 ( -0.291 -1.658 1.352) 2.159 5.083 ( -2.198 -1.204 -0.703) 2.603 5.273 ( -3.772 -2.931 -1.272) 4.943 5.395 ( -4.966 2.953 -3.156) 6.583 5.595 ( -2.604 -4.053 -2.988) 5.669 5.720 ( -1.611 -2.970 -2.556) 4.237 5.815 ( 4.490 -0.864 -2.663) 5.291 5.887 ( -0.297 3.020 4.692) 5.588 6.013 ( 1.138 0.799 -0.323) 1.428 6.146 ( 0.795 2.415 -1.048) 2.750 6.307 ( 3.014 2.371 -1.598) 4.155 6.347 ( -1.287 2.303 3.213) 4.158 6.513 ( 1.296 2.223 8.796) 9.164 7.004 ( 3.013 0.979 -1.875) 3.681 7.102 ( 1.283 -1.116 0.017) 1.701 7.286 ( -14.514 2.749 -5.847) 15.887 7.638 ( -0.062 -2.423 3.047) 3.893 7.902 ( -1.615 -5.266 -0.893) 5.580 8.426 ( 8.869 2.590 -0.881) 9.281 8.582 ( 2.685 5.295 -1.775) 6.196 8.882 ( -2.086 8.021 3.480) 8.989 9.261 ( 9.771 7.732 7.300) 14.441 9.563 ( 0.787 -0.818 -1.776) 2.108 9.745 ( 2.897 1.359 1.096) 3.383 10.089 ( 1.529 -2.720 1.012) 3.281 10.562 ( -0.768 1.318 -0.129) 1.531 10.714 ( 0.975 -3.300 -1.264) 3.666 11.193 ( 1.329 12.257 -9.471) 15.547 11.332 ( -7.028 -0.185 8.972) 11.399 11.847 ( 0.451 1.319 -1.333) 1.929 12.273 ( -5.943 0.664 -1.343) 6.129 12.988 ( -4.839 -7.028 11.582) 14.386 13.067 ( 1.445 9.109 -9.216) 13.038 14.044 ( -11.292 -0.224 -0.828) 11.325 ======================= Grid point 15 (10/138) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 2.296 -7.313 1.468) 7.805 0.968 ( 3.733 -8.948 3.353) 10.259 1.130 ( 1.410 0.489 1.464) 2.091 1.209 ( 5.993 -6.688 4.646) 10.111 1.330 ( 0.040 0.365 -3.320) 3.340 1.376 ( 6.774 -1.693 -0.822) 7.031 1.446 ( 4.333 -2.829 -4.617) 6.935 1.604 ( 2.715 -1.624 5.186) 6.075 1.765 ( 5.948 -2.687 2.178) 6.880 1.883 ( -7.005 -0.386 -7.000) 9.910 1.938 ( -2.593 -1.841 -1.073) 3.356 2.021 ( 0.613 2.089 -1.681) 2.751 2.112 ( -3.373 1.340 -0.407) 3.652 2.277 ( -5.297 0.440 3.374) 6.296 2.415 ( -2.525 -3.101 2.910) 4.946 2.521 ( -0.429 1.261 1.877) 2.302 2.571 ( -3.335 -1.901 0.192) 3.843 2.598 ( -9.442 -3.174 -2.369) 10.239 2.731 ( 7.211 -0.785 1.594) 7.426 2.813 ( -0.453 3.347 -3.603) 4.938 2.941 ( 4.087 -0.084 -6.808) 7.941 3.089 ( 1.746 1.010 2.054) 2.879 3.129 ( 0.352 0.146 3.330) 3.352 3.228 ( 4.023 -2.783 2.496) 5.492 3.324 ( -3.725 3.215 -3.928) 6.296 3.385 ( -3.803 4.184 0.259) 5.660 3.429 ( 2.285 -0.699 -6.270) 6.710 3.516 ( -0.343 3.537 6.355) 7.281 3.706 ( -1.550 -2.443 3.075) 4.222 3.918 ( 0.100 0.258 0.360) 0.454 3.989 ( 0.208 0.294 -1.260) 1.310 4.187 ( -4.684 -1.401 1.579) 5.138 4.204 ( -1.622 2.368 -2.309) 3.684 4.386 ( 2.959 3.778 -3.618) 6.010 4.493 ( 1.673 2.372 1.503) 3.269 4.632 ( 2.502 2.160 3.943) 5.145 4.795 ( -2.348 -0.309 1.276) 2.690 4.913 ( -2.451 0.189 -0.209) 2.467 4.946 ( -1.066 0.021 -1.655) 1.969 5.162 ( -0.646 -5.043 1.148) 5.213 5.278 ( -1.810 -0.713 1.054) 2.213 5.366 ( -4.412 -4.350 -6.491) 8.973 5.628 ( 0.246 -1.042 -1.873) 2.158 5.759 ( -1.910 -0.708 -0.875) 2.217 5.785 ( -2.936 4.930 2.593) 6.297 5.853 ( 3.757 -0.308 -2.174) 4.351 6.014 ( 1.336 0.312 -0.160) 1.381 6.103 ( -1.217 1.561 -2.507) 3.194 6.269 ( 2.206 3.143 1.327) 4.062 6.297 ( -2.430 1.802 2.932) 4.213 6.518 ( 2.245 0.657 2.475) 3.406 6.976 ( 1.918 3.790 -3.113) 5.266 7.087 ( -2.520 3.582 3.861) 5.838 7.199 ( -4.868 -3.915 -5.394) 8.253 7.690 ( 0.642 -2.055 2.363) 3.197 7.954 ( -1.715 -2.414 -0.772) 3.060 8.404 ( -0.201 3.190 4.990) 5.925 8.540 ( 7.124 4.401 -7.666) 11.353 8.743 ( 4.464 7.511 4.649) 9.897 9.225 ( 4.650 3.095 3.841) 6.779 9.585 ( 0.006 -1.121 0.109) 1.127 9.729 ( 0.983 1.921 -0.742) 2.282 10.161 ( 2.478 -2.872 1.395) 4.042 10.509 ( -1.229 3.225 -2.288) 4.141 10.776 ( 0.627 -2.859 -0.002) 2.927 10.970 ( 1.782 10.355 -8.515) 13.525 11.369 ( -2.607 -4.609 11.746) 12.885 11.807 ( -0.378 2.234 -2.343) 3.260 12.170 ( -5.023 4.975 1.932) 7.329 12.719 ( -12.768 11.863 -6.000) 18.433 13.225 ( 9.257 -4.737 5.509) 11.768 13.954 ( -7.820 1.137 -2.934) 8.429 ======================= Grid point 16 (11/138) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -0.060 -2.414 1.400) 2.791 1.095 ( -0.123 -0.742 4.591) 4.652 1.156 ( 1.588 -5.741 4.014) 7.183 1.274 ( -0.028 3.237 -2.872) 4.327 1.388 ( 6.231 2.720 -3.822) 7.800 1.422 ( 4.228 -6.463 3.258) 8.382 1.518 ( 7.391 -1.736 -5.645) 9.461 1.635 ( 0.476 1.962 2.982) 3.601 1.793 ( -1.390 2.037 -5.016) 5.590 1.858 ( 2.089 -1.733 -0.542) 2.768 1.973 ( -0.442 -3.954 3.663) 5.408 2.037 ( 2.745 -0.446 -2.275) 3.593 2.101 ( -0.508 -1.972 -1.759) 2.691 2.215 ( -5.021 0.920 3.045) 5.944 2.369 ( -5.756 6.072 3.937) 9.247 2.516 ( 1.936 -1.867 2.580) 3.726 2.603 ( -4.702 -4.439 3.821) 7.511 2.638 ( -2.816 -3.873 -3.522) 5.944 2.752 ( -2.022 0.745 -2.982) 3.680 2.799 ( 4.474 -0.822 2.690) 5.285 2.928 ( 2.512 2.643 -7.582) 8.413 3.068 ( 1.502 2.591 0.434) 3.026 3.155 ( -0.245 -2.736 1.578) 3.168 3.223 ( -6.542 2.151 -3.408) 7.684 3.278 ( -3.634 1.340 -0.726) 3.941 3.325 ( 4.419 0.255 1.494) 4.672 3.450 ( -0.030 0.082 -5.233) 5.234 3.487 ( 0.110 -1.580 5.177) 5.414 3.759 ( -1.457 -3.074 4.011) 5.260 3.853 ( -4.387 3.004 -1.406) 5.499 4.023 ( 5.840 0.680 -0.198) 5.882 4.138 ( -2.456 1.566 1.469) 3.262 4.212 ( -1.026 -2.251 1.896) 3.116 4.339 ( 1.959 2.335 -2.717) 4.083 4.450 ( 3.352 3.978 0.727) 5.253 4.633 ( 0.287 0.138 1.728) 1.757 4.802 ( 0.024 -0.825 1.769) 1.952 4.878 ( -4.711 0.630 -2.144) 5.214 4.970 ( 2.138 -1.907 -0.807) 2.977 5.183 ( -4.023 0.741 5.929) 7.204 5.338 ( 1.447 -4.062 -1.033) 4.434 5.421 ( -3.692 -5.690 -5.938) 9.015 5.631 ( 1.364 0.826 -1.525) 2.206 5.641 ( -1.108 5.724 5.170) 7.792 5.774 ( -3.386 -1.215 -3.730) 5.182 5.892 ( 3.413 -0.909 -2.416) 4.279 5.976 ( 1.713 3.785 -2.609) 4.906 6.098 ( -2.231 -2.655 -0.692) 3.536 6.222 ( 1.898 4.057 1.255) 4.652 6.282 ( -2.817 -2.026 1.374) 3.732 6.521 ( 2.676 1.754 1.792) 3.667 6.896 ( -0.435 3.711 -1.600) 4.065 7.021 ( -2.116 2.567 2.705) 4.287 7.258 ( 0.153 -3.991 -2.311) 4.614 7.728 ( 1.070 -0.982 0.696) 1.610 7.976 ( -1.694 -1.417 0.663) 2.305 8.346 ( -0.905 3.566 3.987) 5.425 8.462 ( 2.223 4.369 -5.535) 7.394 8.691 ( 8.567 5.474 2.168) 10.395 9.220 ( 1.333 1.008 1.625) 2.331 9.601 ( -0.048 -0.588 0.228) 0.632 9.692 ( -0.571 1.673 -0.815) 1.946 10.228 ( 1.647 -2.523 0.581) 3.068 10.424 ( -1.213 4.272 -1.898) 4.829 10.802 ( 1.366 6.154 -2.293) 6.708 10.828 ( 0.020 -1.353 -1.437) 1.974 11.489 ( 0.836 -4.657 6.501) 8.041 11.764 ( -2.167 0.004 1.760) 2.792 12.061 ( -4.401 3.211 3.291) 6.365 12.424 ( -6.043 10.351 -6.158) 13.475 13.329 ( 2.860 -0.906 -1.004) 3.163 13.906 ( -1.840 -0.572 0.025) 1.927 ======================= Grid point 17 (12/138) ======================= q-point: ( 0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 0.456 0.819 -0.717) 1.180 1.133 ( -0.822 -2.123 3.045) 3.801 1.201 ( -0.585 1.929 -2.230) 3.006 1.258 ( 2.434 -1.043 -2.165) 3.421 1.379 ( 6.660 2.096 -0.124) 6.983 1.428 ( -4.172 2.965 -0.811) 5.183 1.548 ( -3.127 2.813 -2.498) 4.892 1.677 ( 9.608 -3.292 2.137) 10.379 1.746 ( 1.357 2.232 -1.285) 2.911 1.896 ( 1.718 -1.038 0.570) 2.087 2.011 ( -3.772 1.432 0.082) 4.036 2.038 ( -2.293 -0.474 1.225) 2.643 2.171 ( 4.752 -3.848 -0.964) 6.190 2.233 ( 3.984 -2.575 2.642) 5.430 2.274 ( 1.267 1.682 6.000) 6.359 2.538 ( 1.849 0.578 1.301) 2.334 2.645 ( -6.307 -0.665 0.577) 6.368 2.680 ( -3.180 -3.513 -4.798) 6.743 2.738 ( 0.670 -1.660 1.459) 2.309 2.824 ( 2.846 2.379 -3.348) 4.997 2.896 ( 2.266 -0.687 0.944) 2.549 3.032 ( -0.114 1.730 1.443) 2.255 3.149 ( -7.875 -0.984 -4.379) 9.064 3.203 ( -1.009 0.227 -0.339) 1.088 3.216 ( -1.371 0.072 1.440) 1.990 3.356 ( 0.778 -0.330 -0.633) 1.056 3.407 ( -3.057 0.990 -5.693) 6.537 3.562 ( -1.349 -3.601 1.768) 4.233 3.772 ( 3.398 2.243 1.877) 4.483 3.824 ( -4.169 -3.785 2.602) 6.203 4.005 ( 3.563 3.726 -2.237) 5.620 4.129 ( -0.367 -0.117 1.719) 1.762 4.238 ( 0.954 0.652 3.284) 3.482 4.321 ( -0.428 0.039 0.035) 0.431 4.417 ( 4.337 2.904 2.279) 5.696 4.630 ( -1.390 -0.374 -1.645) 2.186 4.795 ( -0.940 3.263 -2.474) 4.202 4.851 ( -2.771 -3.532 -0.478) 4.515 5.022 ( 1.290 -2.433 -1.553) 3.162 5.157 ( 0.470 1.581 6.025) 6.247 5.381 ( -3.051 -1.424 -1.234) 3.586 5.473 ( -2.168 -2.841 -3.174) 4.780 5.603 ( 0.567 0.505 4.468) 4.532 5.621 ( 3.615 0.361 -3.088) 4.768 5.769 ( -1.864 -0.547 -0.695) 2.063 5.864 ( 0.273 1.745 -1.794) 2.518 5.986 ( 2.654 -1.324 -1.101) 3.163 6.119 ( -1.244 -0.642 0.483) 1.481 6.166 ( 1.342 2.617 0.569) 2.996 6.335 ( -2.395 -4.886 -0.425) 5.458 6.488 ( 2.105 4.134 1.699) 4.940 6.846 ( -0.361 1.064 -1.194) 1.640 6.974 ( -1.383 1.374 1.833) 2.676 7.318 ( 0.894 -2.348 -1.512) 2.932 7.747 ( 2.030 -0.046 -0.394) 2.069 7.982 ( -2.235 -0.357 1.153) 2.540 8.286 ( 0.034 2.948 2.428) 3.819 8.425 ( 0.534 -0.343 -3.244) 3.306 8.646 ( 6.560 5.527 1.044) 8.641 9.198 ( -2.376 1.247 -0.284) 2.699 9.605 ( -0.843 0.027 0.358) 0.916 9.669 ( -0.196 0.197 -0.197) 0.341 10.291 ( 0.989 -3.230 -0.063) 3.378 10.328 ( -1.808 4.349 -0.508) 4.737 10.718 ( -0.364 2.227 -0.978) 2.459 10.861 ( 1.308 -0.967 2.762) 3.205 11.482 ( -4.682 3.010 -9.322) 10.858 11.844 ( 5.040 -3.153 10.920) 12.434 12.026 ( -5.690 -4.224 2.632) 7.559 12.252 ( 1.216 4.711 -1.619) 5.128 13.304 ( -3.561 1.462 -8.236) 9.092 13.944 ( 3.958 -1.567 4.346) 6.083 ======================= Grid point 18 (13/138) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 0.211 0.288 -2.113) 2.143 1.152 ( 3.526 3.124 -7.072) 8.497 1.164 ( -0.238 1.365 -3.207) 3.493 1.223 ( -3.869 0.520 -2.145) 4.455 1.351 ( -0.528 2.274 2.659) 3.539 1.423 ( 2.355 -1.011 5.182) 5.781 1.466 ( -2.214 3.569 0.659) 4.251 1.631 ( -1.315 4.765 -2.146) 5.389 1.832 ( 2.208 -2.466 -1.069) 3.478 1.904 ( -1.849 3.219 1.609) 4.046 1.947 ( 1.477 1.292 -0.488) 2.022 2.024 ( 0.433 -1.839 3.009) 3.552 2.270 ( 6.770 0.117 7.085) 9.801 2.308 ( 5.051 -0.763 1.287) 5.268 2.372 ( 6.592 -6.532 0.871) 9.321 2.538 ( 5.293 2.346 0.311) 5.798 2.598 ( -7.629 -1.091 -2.313) 8.047 2.673 ( -3.721 -0.340 -2.832) 4.689 2.745 ( 4.584 1.875 -4.590) 6.752 2.836 ( 0.222 -1.910 0.059) 1.923 2.926 ( -1.733 0.067 4.814) 5.117 3.029 ( -0.949 -0.847 3.888) 4.090 3.114 ( -8.884 -2.569 -3.904) 10.038 3.186 ( -1.665 -1.741 -1.401) 2.786 3.217 ( 0.305 1.100 0.124) 1.148 3.316 ( -3.048 1.710 -3.977) 5.294 3.388 ( -0.535 -1.133 -4.415) 4.589 3.574 ( 0.526 1.233 3.727) 3.961 3.818 ( 2.676 -1.021 3.271) 4.347 3.875 ( 0.073 -3.133 0.377) 3.157 3.954 ( 3.223 3.462 -2.149) 5.195 4.128 ( -2.745 -1.677 1.014) 3.373 4.239 ( 1.540 0.260 0.884) 1.795 4.315 ( -1.601 0.123 1.346) 2.096 4.388 ( 1.882 3.344 4.730) 6.091 4.638 ( -3.053 -2.922 -2.465) 4.893 4.711 ( -1.216 3.806 -5.022) 6.417 4.914 ( 1.462 -2.950 0.464) 3.325 5.072 ( 0.845 -2.376 -0.597) 2.591 5.167 ( 3.162 -0.813 -0.328) 3.281 5.341 ( -4.563 2.628 0.491) 5.288 5.511 ( 1.792 -2.620 -2.066) 3.787 5.593 ( -1.449 0.067 1.758) 2.279 5.648 ( 3.408 1.830 -1.990) 4.351 5.769 ( -1.262 -2.515 1.041) 3.001 5.886 ( -0.122 -2.111 0.986) 2.333 5.985 ( 0.874 2.062 5.232) 5.691 6.135 ( 0.058 -1.240 -1.549) 1.985 6.159 ( 1.977 -0.361 -0.091) 2.011 6.377 ( -0.228 1.666 0.521) 1.761 6.434 ( -0.634 0.048 -1.209) 1.366 6.845 ( -0.172 -1.573 -1.044) 1.896 6.968 ( -1.007 -1.251 0.276) 1.630 7.353 ( 2.020 -0.863 0.145) 2.202 7.759 ( 3.409 0.894 -1.112) 3.695 7.963 ( -3.445 0.143 -0.048) 3.448 8.260 ( -0.354 0.407 2.295) 2.357 8.433 ( -4.688 -1.264 -1.956) 5.235 8.615 ( 9.452 2.699 0.545) 9.845 9.143 ( -6.129 1.022 -1.498) 6.391 9.594 ( -1.404 0.194 0.598) 1.538 9.673 ( 0.080 -0.293 -0.239) 0.386 10.225 ( -2.786 3.974 -0.239) 4.859 10.377 ( 1.037 -4.465 0.300) 4.594 10.706 ( -1.555 -1.437 0.275) 2.135 10.900 ( 2.766 -0.519 8.321) 8.784 11.348 ( -6.705 2.443 -16.194) 17.697 11.880 ( 3.825 2.759 5.515) 7.256 12.125 ( 1.660 -3.219 -1.834) 4.060 12.330 ( 2.843 -11.968 10.740) 16.330 13.207 ( -6.244 2.547 -11.436) 13.276 14.022 ( 6.036 -1.545 5.097) 8.050 ======================= Grid point 19 (14/138) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -0.277 1.542 -1.058) 1.891 1.055 ( -0.503 3.347 -7.747) 8.454 1.106 ( 2.820 6.522 -2.746) 7.618 1.199 ( -4.057 1.177 0.994) 4.339 1.327 ( 2.217 2.566 0.839) 3.494 1.358 ( -3.623 6.489 1.289) 7.543 1.437 ( -1.963 0.305 1.389) 2.424 1.587 ( 1.242 -0.202 2.689) 2.969 1.761 ( -4.664 6.326 -1.208) 7.951 1.863 ( -0.982 -3.414 -2.449) 4.315 1.981 ( 4.254 0.559 1.348) 4.497 2.108 ( 2.798 -3.434 1.563) 4.697 2.287 ( 7.226 5.005 10.896) 14.000 2.338 ( 3.130 1.039 -3.637) 4.909 2.504 ( 3.462 0.505 -6.478) 7.362 2.552 ( 1.616 -3.131 -0.047) 3.524 2.571 ( -1.525 -0.732 0.639) 1.809 2.666 ( 1.490 -0.759 2.598) 3.089 2.751 ( 0.782 -0.735 -2.444) 2.669 2.858 ( 1.795 0.186 -1.366) 2.263 2.906 ( -4.300 -0.061 5.810) 7.229 2.990 ( -6.276 0.812 -2.554) 6.824 3.104 ( -1.478 1.209 -0.105) 1.912 3.195 ( 0.967 -1.201 0.166) 1.550 3.266 ( -0.582 -5.225 -0.715) 5.306 3.274 ( -2.390 -0.119 -1.001) 2.594 3.401 ( -0.959 -1.850 -3.280) 3.886 3.580 ( 2.063 -0.024 3.136) 3.754 3.779 ( -1.113 5.037 1.245) 5.307 3.889 ( 3.196 1.817 -0.866) 3.777 3.988 ( 1.623 -3.459 0.082) 3.822 4.176 ( -1.006 -4.194 -0.121) 4.315 4.241 ( -3.696 0.104 1.443) 3.969 4.309 ( 2.963 -0.509 0.116) 3.009 4.389 ( -1.251 -2.414 2.840) 3.931 4.618 ( -0.039 3.812 -3.895) 5.450 4.678 ( -3.330 -4.126 -2.071) 5.693 4.978 ( 4.203 -2.026 -0.523) 4.695 5.102 ( 3.548 1.229 3.503) 5.135 5.189 ( -3.893 2.661 -1.193) 4.864 5.280 ( 0.663 -1.767 -1.823) 2.624 5.562 ( 3.940 0.435 -1.301) 4.172 5.600 ( -0.420 -0.900 0.039) 0.994 5.622 ( -1.599 -1.713 -0.336) 2.367 5.824 ( -0.273 -2.012 1.610) 2.591 5.872 ( -1.747 2.098 1.556) 3.143 6.017 ( 2.575 -1.210 7.461) 7.985 6.143 ( -1.425 -1.180 -0.892) 2.054 6.173 ( 1.852 1.199 -2.763) 3.536 6.317 ( 0.575 2.321 -1.988) 3.110 6.456 ( -1.337 -1.971 -0.651) 2.469 6.888 ( -0.780 -2.890 0.658) 3.065 7.002 ( -0.530 -3.049 -1.165) 3.307 7.400 ( 4.313 -1.855 3.175) 5.668 7.750 ( 4.288 2.656 -2.471) 5.617 7.944 ( -3.988 -1.589 -0.476) 4.319 8.252 ( -2.403 1.053 2.094) 3.357 8.388 ( -7.998 -0.912 -2.340) 8.383 8.703 ( 12.726 -2.469 0.674) 12.981 9.074 ( -8.775 0.026 -1.957) 8.991 9.585 ( -0.808 0.037 0.992) 1.280 9.667 ( -1.435 0.353 -1.520) 2.120 10.146 ( -2.176 2.493 -0.259) 3.320 10.467 ( 0.572 -4.267 0.754) 4.371 10.731 ( -2.135 -2.032 -0.473) 2.985 10.969 ( 3.717 -1.945 14.213) 14.819 11.248 ( -4.719 -0.473 -17.926) 18.543 11.876 ( 2.413 0.917 3.682) 4.496 12.195 ( 3.567 -3.941 -1.105) 5.429 12.668 ( 3.572 -16.930 12.380) 21.276 13.074 ( -5.723 3.953 -13.261) 14.975 14.109 ( 5.797 -2.329 3.415) 7.120 ======================= Grid point 20 (15/138) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 1.444 7.984 0.541) 8.131 0.945 ( 3.199 12.461 0.900) 12.896 1.019 ( -3.962 -1.089 -0.744) 4.175 1.098 ( 0.446 6.724 -2.546) 7.203 1.135 ( -5.795 11.012 -2.340) 12.662 1.341 ( 0.034 -2.606 0.501) 2.654 1.426 ( 0.011 0.804 0.215) 0.833 1.585 ( 0.951 4.472 -0.142) 4.574 1.658 ( -2.243 -0.489 1.190) 2.586 1.944 ( -0.015 -1.372 -1.199) 1.822 1.996 ( 2.566 -2.779 0.912) 3.890 2.149 ( -0.857 0.330 -0.334) 0.978 2.227 ( 3.805 8.272 4.509) 10.161 2.319 ( 3.273 2.174 -2.138) 4.473 2.454 ( -3.140 2.828 -1.012) 4.345 2.515 ( -0.745 2.101 -3.397) 4.063 2.641 ( 0.593 -1.532 2.278) 2.809 2.722 ( 3.795 -1.463 4.204) 5.849 2.775 ( -1.367 -1.838 2.272) 3.227 2.843 ( 0.837 0.514 -1.535) 1.823 2.923 ( 1.200 -1.847 1.894) 2.905 2.971 ( -2.253 -1.997 -4.367) 5.305 3.058 ( 2.649 2.909 -1.493) 4.208 3.203 ( -1.465 2.084 4.215) 4.925 3.282 ( -3.351 -3.980 -2.321) 5.697 3.338 ( -0.369 -1.322 -0.186) 1.385 3.446 ( 0.161 -4.682 -1.794) 5.016 3.608 ( 0.031 -1.341 0.991) 1.668 3.695 ( -1.152 2.158 0.435) 2.484 3.878 ( 2.449 1.635 -0.142) 2.947 4.038 ( 0.422 -1.017 0.364) 1.159 4.184 ( -1.781 0.906 -1.164) 2.312 4.266 ( -2.050 -3.780 1.310) 4.495 4.379 ( 4.673 -2.821 1.928) 5.789 4.444 ( -2.647 -4.433 -1.102) 5.280 4.581 ( 0.352 -1.254 -2.170) 2.531 4.740 ( -1.342 -4.528 -0.588) 4.759 5.012 ( 2.845 4.009 -2.115) 5.352 5.101 ( -1.379 0.328 2.713) 3.061 5.110 ( 2.194 -0.082 2.744) 3.514 5.321 ( 0.270 -0.902 -1.406) 1.692 5.560 ( 2.852 1.268 0.850) 3.235 5.627 ( -1.410 -2.439 -1.357) 3.127 5.669 ( 1.219 -1.452 4.067) 4.487 5.809 ( -3.698 2.063 -2.125) 4.738 5.848 ( 0.635 -0.425 -1.122) 1.358 6.043 ( 1.841 1.841 6.909) 7.383 6.134 ( 0.283 2.118 -3.609) 4.194 6.187 ( -1.263 -5.143 -1.285) 5.450 6.310 ( 0.227 -1.087 -1.583) 1.934 6.464 ( -0.494 0.712 -0.770) 1.159 6.928 ( -1.066 -1.993 0.707) 2.368 7.054 ( -0.344 -2.781 -0.533) 2.852 7.498 ( 4.271 -3.798 3.689) 6.803 7.720 ( 3.511 2.583 -2.338) 4.946 7.969 ( -0.724 -2.713 -0.172) 2.813 8.188 ( -5.665 1.590 1.729) 6.132 8.377 ( -4.466 -2.915 -3.235) 6.238 8.853 ( 11.232 -3.328 0.718) 11.736 9.017 ( -9.724 -1.717 -1.097) 9.935 9.589 ( 1.005 -0.163 1.532) 1.840 9.638 ( -2.989 0.282 -2.474) 3.891 10.100 ( -0.618 1.514 -0.009) 1.636 10.535 ( -0.014 -2.468 0.351) 2.493 10.732 ( -0.964 0.637 -0.241) 1.181 11.104 ( 2.220 -6.793 15.289) 16.877 11.219 ( -2.104 -3.436 -16.267) 16.759 11.893 ( 1.573 -0.019 2.008) 2.551 12.326 ( 2.908 -7.620 0.417) 8.166 12.888 ( -5.539 6.116 4.436) 9.368 13.052 ( 4.508 -15.164 -5.713) 16.820 14.207 ( 4.212 -3.749 1.061) 5.738 ======================= Grid point 21 (16/138) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.000 15.372 0.000) 15.372 0.695 ( 0.000 16.131 0.000) 16.131 0.759 ( 0.000 19.297 0.000) 19.297 1.076 ( -0.000 -1.502 -0.000) 1.502 1.084 ( -0.000 -2.868 -0.000) 2.868 1.392 ( -0.000 -1.730 -0.000) 1.730 1.407 ( 0.000 1.260 0.000) 1.260 1.510 ( 0.000 1.818 0.000) 1.818 1.677 ( -0.000 -0.978 -0.000) 0.978 1.889 ( 0.000 4.911 0.000) 4.911 2.061 ( 0.000 8.538 0.000) 8.538 2.094 ( -0.000 -2.815 -0.000) 2.815 2.111 ( 0.000 4.236 0.000) 4.236 2.292 ( 0.000 0.772 0.000) 0.772 2.364 ( 0.000 4.347 0.000) 4.347 2.494 ( 0.000 0.153 0.000) 0.153 2.665 ( -0.000 -1.127 -0.000) 1.127 2.769 ( -0.000 -1.112 -0.000) 1.112 2.795 ( -0.000 -0.781 -0.000) 0.781 2.858 ( -0.000 -0.780 -0.000) 0.780 2.958 ( -0.000 -0.280 -0.000) 0.280 2.998 ( -0.000 -2.924 -0.000) 2.924 3.031 ( 0.000 1.128 0.000) 1.128 3.163 ( 0.000 0.745 0.000) 0.745 3.300 ( 0.000 2.227 0.000) 2.227 3.343 ( -0.000 -1.606 -0.000) 1.606 3.549 ( -0.000 -5.731 -0.000) 5.731 3.624 ( -0.000 -0.322 -0.000) 0.322 3.691 ( -0.000 -1.238 -0.000) 1.238 3.854 ( 0.000 1.962 0.000) 1.962 4.042 ( 0.000 0.386 0.000) 0.386 4.173 ( -0.000 -0.423 -0.000) 0.423 4.286 ( 0.000 0.668 0.000) 0.668 4.472 ( -0.000 -4.687 -0.000) 4.687 4.507 ( -0.000 -3.692 -0.000) 3.692 4.657 ( -0.000 -5.901 -0.000) 5.901 4.802 ( -0.000 -1.279 -0.000) 1.279 4.932 ( 0.000 1.813 0.000) 1.813 5.114 ( -0.000 -1.091 -0.000) 1.091 5.169 ( -0.000 -3.409 -0.000) 3.409 5.311 ( 0.000 1.749 0.000) 1.749 5.558 ( 0.000 0.449 0.000) 0.449 5.616 ( 0.000 2.429 0.000) 2.429 5.721 ( -0.000 -1.819 -0.000) 1.819 5.759 ( -0.000 -0.296 -0.000) 0.296 5.846 ( 0.000 0.763 0.000) 0.763 6.056 ( -0.000 -2.189 -0.000) 2.189 6.084 ( 0.000 2.669 0.000) 2.669 6.290 ( -0.000 -5.742 -0.000) 5.742 6.327 ( -0.000 -0.588 -0.000) 0.588 6.408 ( 0.000 5.004 0.000) 5.004 6.956 ( -0.000 -1.492 -0.000) 1.492 7.093 ( -0.000 -1.519 -0.000) 1.519 7.585 ( -0.000 -3.242 -0.000) 3.242 7.703 ( 0.000 0.659 0.000) 0.659 7.979 ( 0.000 2.528 0.000) 2.528 8.212 ( -0.000 -6.884 -0.000) 6.884 8.400 ( -0.000 -2.147 -0.000) 2.147 8.937 ( -0.000 -0.937 -0.000) 0.937 9.024 ( -0.000 -3.017 -0.000) 3.017 9.605 ( 0.000 0.315 0.000) 0.315 9.621 ( -0.000 -1.246 -0.000) 1.246 10.073 ( 0.000 1.326 0.000) 1.326 10.560 ( -0.000 -0.437 -0.000) 0.437 10.698 ( 0.000 2.446 0.000) 2.446 11.255 ( -0.000 -5.448 -0.000) 5.448 11.344 ( -0.000 -14.249 -0.000) 14.249 11.890 ( 0.000 1.522 0.000) 1.522 12.500 ( -0.000 -8.855 -0.000) 8.855 12.690 ( 0.000 12.223 0.000) 12.223 13.333 ( -0.000 -12.172 -0.000) 12.172 14.304 ( -0.000 -4.400 -0.000) 4.400 ======================= Grid point 24 (17/138) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 17.459 0.000 0.884) 17.481 0.575 ( 16.511 0.000 9.634) 19.116 0.688 ( 17.567 0.000 13.960) 22.439 0.915 ( -6.108 -0.000 -8.418) 10.401 1.135 ( 5.792 0.000 -6.507) 8.711 1.448 ( -0.094 -0.000 -5.277) 5.278 1.479 ( -4.051 -0.000 7.781) 8.773 1.657 ( -0.827 -0.000 1.036) 1.325 1.686 ( -1.588 -0.000 2.214) 2.725 1.726 ( -0.284 -0.000 12.218) 12.221 1.799 ( 2.177 0.000 -4.330) 4.846 2.170 ( -4.730 -0.000 -11.652) 12.576 2.207 ( 8.258 0.000 0.181) 8.260 2.307 ( -12.943 -0.000 1.734) 13.059 2.449 ( -0.245 -0.000 -9.860) 9.863 2.504 ( -9.081 -0.000 0.219) 9.084 2.506 ( -2.863 -0.000 -6.317) 6.935 2.604 ( 9.683 0.000 0.266) 9.686 2.737 ( -4.543 -0.000 -8.903) 9.995 2.896 ( 4.083 0.000 -7.665) 8.685 2.977 ( -1.798 -0.000 10.522) 10.674 3.058 ( 3.827 0.000 1.268) 4.031 3.104 ( -1.978 -0.000 0.996) 2.215 3.202 ( 0.258 0.000 8.910) 8.914 3.356 ( 9.931 0.000 -8.360) 12.981 3.453 ( 2.585 0.000 -7.586) 8.014 3.581 ( -8.603 -0.000 2.454) 8.947 3.680 ( -4.763 -0.000 2.386) 5.328 3.724 ( 1.457 0.000 3.755) 4.028 3.833 ( 2.275 0.000 -1.597) 2.780 4.041 ( 0.719 0.000 1.773) 1.913 4.143 ( -2.275 -0.000 -7.360) 7.704 4.368 ( -9.684 -0.000 -1.536) 9.805 4.485 ( 2.106 0.000 -8.421) 8.681 4.680 ( -0.287 -0.000 1.482) 1.510 4.713 ( -2.854 -0.000 -5.053) 5.803 4.838 ( 2.994 0.000 0.436) 3.025 4.876 ( 3.756 0.000 4.802) 6.096 5.002 ( -6.499 -0.000 -0.971) 6.571 5.153 ( -9.484 -0.000 6.085) 11.269 5.204 ( 2.844 0.000 -3.717) 4.680 5.385 ( -9.623 -0.000 -2.364) 9.909 5.556 ( -4.980 -0.000 2.756) 5.692 5.676 ( -6.298 -0.000 -1.196) 6.410 5.790 ( 8.798 0.000 -1.705) 8.962 5.988 ( 1.315 0.000 -0.242) 1.337 6.085 ( 2.311 0.000 -3.000) 3.787 6.089 ( -2.889 -0.000 0.528) 2.937 6.351 ( 7.944 0.000 0.463) 7.957 6.359 ( 0.683 0.000 -1.275) 1.446 6.843 ( -4.018 -0.000 17.096) 17.561 6.889 ( -3.867 -0.000 -6.358) 7.442 7.012 ( 1.200 0.000 -0.669) 1.374 7.336 ( -10.770 -0.000 0.186) 10.772 7.550 ( 2.924 0.000 1.165) 3.147 7.720 ( 3.298 0.000 -0.634) 3.358 8.482 ( 12.641 0.000 -5.861) 13.934 8.803 ( -8.246 -0.000 -11.529) 14.174 8.988 ( -2.525 -0.000 7.668) 8.073 9.376 ( -13.641 -0.000 6.706) 15.200 9.739 ( 11.775 0.000 -17.497) 21.090 10.004 ( -2.607 -0.000 1.232) 2.883 10.163 ( -1.329 -0.000 19.128) 19.174 10.572 ( 0.969 0.000 -0.932) 1.345 10.620 ( 0.899 0.000 0.214) 0.924 11.131 ( -7.800 -0.000 0.633) 7.826 11.530 ( -2.900 -0.000 -7.969) 8.480 11.728 ( 0.961 0.000 6.727) 6.796 12.182 ( 9.914 0.000 3.092) 10.385 12.664 ( 7.834 0.000 8.648) 11.669 13.328 ( -6.582 -0.000 -9.333) 11.420 13.939 ( -8.436 -0.000 5.783) 10.228 ======================= Grid point 25 (18/138) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 13.795 0.147 7.630) 15.765 0.715 ( 12.484 -4.664 0.166) 13.328 0.892 ( 1.248 -3.385 -4.329) 5.635 0.996 ( 12.704 -11.841 9.544) 19.817 1.202 ( 8.787 -3.091 -4.732) 10.448 1.396 ( -0.176 2.724 -3.584) 4.506 1.422 ( -3.089 3.465 -0.082) 4.643 1.617 ( -5.948 2.083 0.562) 6.327 1.724 ( 2.266 -3.299 8.344) 9.254 1.778 ( -0.827 -4.088 5.115) 6.600 1.823 ( 0.727 -0.138 -4.855) 4.911 2.095 ( -6.591 0.832 -9.108) 11.273 2.237 ( -7.637 -0.121 1.473) 7.779 2.274 ( 5.171 0.468 0.233) 5.197 2.342 ( -6.804 2.353 -3.855) 8.167 2.451 ( -7.133 -1.171 -2.844) 7.768 2.491 ( 3.828 0.219 -3.149) 4.962 2.652 ( -6.116 1.923 -0.734) 6.453 2.720 ( 13.249 -1.179 0.263) 13.304 2.922 ( 3.425 -1.086 -3.851) 5.267 2.969 ( 1.392 3.220 3.573) 5.007 3.087 ( -1.246 -0.035 2.045) 2.395 3.109 ( 3.910 -1.874 1.730) 4.669 3.203 ( -1.142 1.687 7.750) 8.013 3.396 ( 2.476 -0.509 -8.968) 9.318 3.433 ( 0.556 1.631 -7.176) 7.380 3.517 ( -2.626 2.072 1.663) 3.736 3.627 ( -4.762 1.992 5.272) 7.378 3.723 ( 1.139 1.788 2.518) 3.292 3.861 ( 2.411 -1.342 -0.111) 2.762 4.027 ( -1.995 1.568 -1.329) 2.865 4.132 ( -1.975 -1.966 -4.572) 5.354 4.275 ( -7.699 1.697 -2.519) 8.276 4.471 ( -0.746 0.608 -4.651) 4.750 4.585 ( 0.375 4.212 1.315) 4.428 4.732 ( -3.907 -0.761 -1.232) 4.167 4.841 ( -0.293 4.501 4.062) 6.070 4.913 ( 2.767 -2.270 1.781) 3.997 4.954 ( -1.996 -0.081 1.308) 2.388 5.068 ( -8.124 2.022 3.394) 9.033 5.194 ( -2.614 -0.915 -3.654) 4.585 5.413 ( -7.257 -3.742 -0.922) 8.217 5.485 ( -0.811 1.451 -1.464) 2.215 5.647 ( -4.595 -1.631 -3.063) 5.758 5.842 ( 6.421 0.242 -0.445) 6.441 5.936 ( 0.199 2.574 -0.409) 2.614 6.056 ( 1.868 1.887 1.017) 2.843 6.153 ( -1.167 -2.562 -2.557) 3.804 6.345 ( 0.453 0.788 -2.190) 2.371 6.390 ( 4.396 1.566 -0.887) 4.750 6.650 ( -0.913 9.071 12.490) 15.463 7.013 ( -0.107 -4.092 -3.472) 5.367 7.028 ( -1.635 -2.777 -0.982) 3.369 7.236 ( -10.824 2.241 -0.586) 11.069 7.611 ( 2.774 -2.290 2.489) 4.374 7.791 ( 1.401 -4.905 -1.140) 5.227 8.530 ( 7.437 3.108 -2.341) 8.393 8.684 ( 1.056 3.511 -7.955) 8.759 8.947 ( -5.403 3.071 5.302) 8.169 9.355 ( -8.088 -3.940 6.772) 11.260 9.757 ( 15.578 5.841 -20.837) 26.664 9.832 ( -0.457 15.423 19.699) 25.023 10.059 ( 0.759 -0.372 4.157) 4.242 10.573 ( -1.770 0.705 0.773) 2.056 10.657 ( 1.109 -2.842 -1.989) 3.642 11.208 ( -12.431 -7.211 3.072) 14.696 11.398 ( -0.353 9.498 -8.025) 12.439 11.837 ( 0.998 -4.259 2.901) 5.249 12.247 ( 4.812 -0.015 3.200) 5.779 12.807 ( -7.318 -8.208 5.823) 12.443 13.216 ( 4.301 6.142 -5.602) 9.360 13.928 ( -9.863 -3.133 0.340) 10.354 ======================= Grid point 26 (19/138) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 7.910 -3.514 2.631) 9.047 0.873 ( 7.644 -5.892 1.955) 9.847 1.064 ( 8.173 -8.858 2.103) 12.234 1.201 ( 2.492 -1.058 -2.737) 3.850 1.329 ( 2.218 -0.009 1.340) 2.592 1.357 ( 3.149 -3.586 -7.641) 9.009 1.418 ( 7.351 -3.923 2.445) 8.684 1.580 ( -1.600 -1.695 3.517) 4.220 1.792 ( -4.139 -0.428 -7.605) 8.669 1.813 ( 7.530 -0.274 7.879) 10.902 1.868 ( -3.134 -5.220 1.489) 6.268 2.010 ( -6.726 0.815 -2.883) 7.363 2.146 ( -3.285 4.114 -3.595) 6.375 2.239 ( -7.267 -0.754 -0.647) 7.335 2.364 ( 3.067 -2.244 4.060) 5.561 2.442 ( -8.371 -3.363 1.152) 9.095 2.523 ( 4.046 -0.884 -4.588) 6.180 2.584 ( -3.687 2.189 3.927) 5.814 2.810 ( 10.721 1.105 0.112) 10.779 2.884 ( -1.873 5.218 0.325) 5.553 2.958 ( 5.623 -0.033 -5.026) 7.542 3.081 ( -0.927 -0.224 -2.925) 3.076 3.181 ( -1.663 0.863 7.554) 7.783 3.196 ( 3.753 -2.347 3.131) 5.422 3.339 ( -4.948 2.580 -5.850) 8.085 3.385 ( -1.706 1.348 -4.029) 4.578 3.483 ( 2.908 2.882 -1.400) 4.328 3.575 ( -3.316 1.936 6.172) 7.269 3.703 ( 1.550 1.613 1.908) 2.940 3.903 ( -0.967 -1.341 0.904) 1.884 3.975 ( -2.246 -0.036 -2.830) 3.613 4.134 ( -4.668 -1.061 1.107) 4.913 4.213 ( -1.956 0.503 -4.044) 4.520 4.434 ( -0.944 1.492 -2.828) 3.334 4.543 ( 1.024 1.770 0.726) 2.170 4.704 ( -3.063 0.826 1.090) 3.355 4.771 ( 0.752 3.193 3.812) 5.029 4.925 ( -0.712 -0.799 -0.851) 1.368 4.951 ( -1.431 2.085 2.577) 3.611 5.065 ( -1.746 -4.569 2.202) 5.364 5.198 ( -3.534 -3.218 -5.228) 7.083 5.336 ( -1.710 3.093 -1.243) 3.747 5.557 ( -1.137 -5.633 -2.014) 6.090 5.654 ( -4.023 -3.301 -4.224) 6.703 5.868 ( -0.016 0.778 3.882) 3.960 5.901 ( 2.596 2.631 -1.881) 4.147 6.028 ( 0.685 2.064 1.260) 2.514 6.142 ( -0.392 1.846 -2.559) 3.179 6.312 ( -2.527 1.733 0.761) 3.158 6.362 ( 2.991 3.751 -0.693) 4.848 6.567 ( 0.898 2.907 6.929) 7.567 7.031 ( 1.905 1.053 -3.554) 4.167 7.064 ( -8.426 -2.564 -5.636) 10.456 7.144 ( 0.124 0.994 4.039) 4.161 7.672 ( 2.640 -1.693 2.140) 3.797 7.874 ( -1.557 -4.158 -1.533) 4.697 8.466 ( -1.528 4.019 2.805) 5.134 8.673 ( 9.925 3.277 -7.447) 12.834 8.861 ( -1.722 3.457 3.901) 5.489 9.371 ( -0.794 2.314 9.385) 9.699 9.607 ( 6.137 7.495 0.373) 9.694 9.766 ( 1.517 1.931 -4.953) 5.528 10.119 ( 0.922 -3.520 2.790) 4.585 10.537 ( -2.290 1.572 -0.988) 2.948 10.715 ( -0.011 -3.444 -1.262) 3.668 11.183 ( 2.248 11.953 -6.875) 13.972 11.252 ( -7.821 -5.853 5.325) 11.126 11.858 ( 1.311 2.382 0.083) 2.720 12.239 ( 0.252 3.727 3.453) 5.087 12.744 ( -18.742 3.614 -1.375) 19.137 13.248 ( 12.838 -1.337 1.501) 12.994 13.894 ( -8.324 -0.995 -2.148) 8.653 ======================= Grid point 27 (20/138) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 4.573 -4.044 2.332) 6.535 1.035 ( 2.975 -6.200 2.866) 7.451 1.143 ( -0.028 1.601 -1.777) 2.392 1.303 ( -1.061 0.301 -4.324) 4.462 1.320 ( 6.264 -7.396 5.841) 11.316 1.456 ( 7.854 -2.777 -6.918) 10.828 1.522 ( 6.307 -1.080 -0.761) 6.444 1.652 ( -0.945 -1.452 0.161) 1.740 1.781 ( 1.259 -2.075 -1.226) 2.719 1.872 ( 2.151 -1.824 0.246) 2.831 1.895 ( 0.602 -0.001 1.227) 1.367 2.020 ( -3.515 -4.216 3.005) 6.258 2.082 ( 1.626 0.894 -1.043) 2.129 2.204 ( -3.430 0.059 2.208) 4.080 2.424 ( -1.487 -0.649 0.869) 1.841 2.440 ( -10.201 -1.198 3.981) 11.016 2.509 ( -3.396 -2.101 0.520) 4.027 2.575 ( 3.698 -0.274 -1.976) 4.202 2.796 ( 0.142 2.593 0.906) 2.750 2.836 ( 6.319 2.260 0.228) 6.715 2.981 ( 5.241 1.377 -6.059) 8.129 3.076 ( -0.659 -1.153 -2.241) 2.605 3.165 ( -0.878 1.840 6.678) 6.982 3.194 ( -6.958 1.436 -6.702) 9.767 3.267 ( -0.978 1.412 -2.374) 2.930 3.364 ( -0.130 0.013 4.206) 4.208 3.442 ( -0.022 1.454 -5.163) 5.363 3.517 ( -1.637 3.711 3.844) 5.588 3.704 ( -2.409 -1.574 1.811) 3.400 3.876 ( -1.390 1.387 -0.368) 1.998 4.028 ( 2.409 -3.338 1.686) 4.449 4.125 ( -4.625 -1.153 4.892) 6.830 4.192 ( 1.118 0.203 -4.286) 4.434 4.394 ( 0.925 2.342 -1.936) 3.176 4.520 ( 0.787 1.730 0.285) 1.922 4.665 ( -2.500 1.440 1.170) 3.113 4.753 ( -0.041 0.046 1.598) 1.599 4.906 ( 0.020 1.686 -0.266) 1.707 4.963 ( 3.213 -1.136 1.608) 3.768 5.136 ( -3.544 -3.759 3.587) 6.289 5.239 ( -2.939 -4.762 -6.187) 8.343 5.321 ( 1.246 -2.118 -1.550) 2.905 5.620 ( -0.814 -2.277 -0.952) 2.599 5.689 ( -3.230 -3.755 -5.498) 7.400 5.768 ( -3.672 7.237 6.489) 10.390 5.897 ( 2.900 0.298 -2.960) 4.155 6.027 ( 0.619 -1.155 0.698) 1.484 6.082 ( -0.402 3.757 -2.172) 4.358 6.260 ( -2.538 1.530 1.616) 3.376 6.308 ( 1.381 3.623 0.214) 3.883 6.564 ( 2.455 0.446 2.290) 3.387 6.955 ( -3.332 3.813 -2.843) 5.807 7.036 ( -1.887 0.654 0.175) 2.005 7.199 ( 2.685 -3.085 0.529) 4.124 7.721 ( 2.546 -1.175 0.587) 2.865 7.920 ( -2.511 -2.892 -0.314) 3.842 8.398 ( -0.942 3.177 3.165) 4.582 8.606 ( 3.611 7.065 -4.227) 8.990 8.831 ( 5.631 3.058 0.969) 6.480 9.311 ( 3.845 6.067 7.195) 10.166 9.584 ( -0.213 -0.750 0.437) 0.894 9.717 ( -0.685 2.205 -5.050) 5.553 10.190 ( 0.317 -2.806 1.490) 3.193 10.478 ( -1.253 2.869 -2.494) 4.003 10.777 ( -0.581 -3.448 0.800) 3.587 10.969 ( 1.841 10.909 -4.939) 12.116 11.364 ( -2.892 -8.904 5.331) 10.774 11.791 ( -1.794 4.434 -0.017) 4.784 12.151 ( 0.040 6.039 4.476) 7.517 12.515 ( -11.652 7.147 -1.972) 13.811 13.337 ( 4.655 -0.119 -3.249) 5.679 13.872 ( -2.315 -1.886 0.487) 3.026 ======================= Grid point 28 (21/138) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 1.363 -0.613 -0.816) 1.702 1.116 ( 0.760 -0.443 1.853) 2.051 1.168 ( -0.963 -4.089 1.763) 4.556 1.261 ( -0.757 1.219 -5.260) 5.453 1.452 ( 2.432 0.094 1.755) 3.001 1.486 ( 4.821 2.704 0.050) 5.528 1.575 ( 2.124 0.867 -3.563) 4.238 1.675 ( 7.710 -3.539 -1.966) 8.708 1.799 ( 0.658 1.695 0.007) 1.819 1.896 ( 1.436 0.190 -0.905) 1.708 1.971 ( 0.657 -4.413 2.837) 5.288 2.029 ( -1.572 1.003 -0.817) 2.036 2.130 ( 4.098 -3.418 3.362) 6.307 2.237 ( 3.122 -2.041 6.160) 7.202 2.330 ( -2.410 3.287 5.276) 6.667 2.452 ( -7.920 -4.510 -2.019) 9.335 2.557 ( -4.825 -4.508 -8.095) 10.447 2.635 ( 4.290 -2.842 4.990) 7.168 2.758 ( 2.537 3.285 3.075) 5.166 2.858 ( 2.089 -0.631 0.646) 2.275 2.939 ( 3.225 3.758 -6.445) 8.128 3.066 ( -3.683 0.789 -6.104) 7.172 3.099 ( -3.907 3.407 1.689) 5.452 3.171 ( -0.075 -2.462 1.909) 3.116 3.217 ( -4.460 1.392 -0.990) 4.776 3.374 ( 1.121 0.475 0.732) 1.421 3.389 ( -4.160 1.870 -4.315) 6.279 3.474 ( -2.807 -1.553 -0.727) 3.290 3.727 ( -4.924 -3.340 1.509) 6.138 3.858 ( 4.703 1.868 2.872) 5.819 4.070 ( 0.713 0.898 0.993) 1.516 4.127 ( -1.168 -0.044 2.173) 2.468 4.235 ( 2.333 -3.421 1.371) 4.362 4.351 ( 1.460 2.840 -0.483) 3.230 4.494 ( 1.960 1.922 0.872) 2.881 4.623 ( -3.206 1.135 -1.369) 3.666 4.769 ( -0.781 -1.740 -0.379) 1.945 4.864 ( 1.238 3.393 0.354) 3.630 5.004 ( 1.859 -0.570 -0.092) 1.947 5.176 ( -0.873 -1.368 6.832) 7.022 5.287 ( -3.730 -4.450 -6.415) 8.653 5.395 ( 0.419 -4.010 -0.669) 4.087 5.639 ( 0.585 -0.594 -2.049) 2.212 5.642 ( -2.056 2.988 4.199) 5.548 5.715 ( -1.929 -1.520 -3.380) 4.178 5.926 ( 2.557 -0.163 -1.820) 3.143 5.983 ( 0.559 3.383 -2.011) 3.975 6.079 ( -0.224 -2.796 0.156) 2.810 6.235 ( -1.090 2.333 0.628) 2.650 6.255 ( -0.866 -0.033 0.207) 0.891 6.571 ( 2.801 1.957 2.117) 4.020 6.870 ( -2.060 2.541 -1.001) 3.421 7.001 ( -1.408 1.972 1.138) 2.678 7.274 ( 2.137 -2.963 -0.532) 3.692 7.754 ( 2.520 -0.679 -0.858) 2.748 7.947 ( -2.713 -1.821 1.320) 3.524 8.345 ( -0.195 3.050 2.785) 4.135 8.494 ( 3.404 5.654 -3.662) 7.548 8.796 ( 4.914 5.142 0.606) 7.138 9.243 ( 0.937 4.856 2.540) 5.559 9.598 ( -0.579 -0.413 0.509) 0.875 9.669 ( -1.508 0.615 -2.405) 2.904 10.239 ( -0.095 -2.667 0.186) 2.676 10.401 ( -0.933 4.307 -1.277) 4.589 10.799 ( 0.517 6.918 -2.299) 7.309 10.836 ( -0.146 -2.712 1.879) 3.303 11.500 ( 1.635 -0.867 -4.141) 4.535 11.722 ( -7.496 -4.833 6.926) 11.292 12.057 ( 0.500 5.210 3.549) 6.323 12.343 ( -2.381 5.320 0.311) 5.836 13.299 ( -2.357 2.685 -9.202) 9.871 13.936 ( 3.231 -3.365 4.098) 6.210 ======================= Grid point 29 (22/138) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 3.025 0.634 -1.221) 3.323 1.120 ( -2.656 -0.216 1.805) 3.219 1.180 ( -1.461 1.538 -4.062) 4.583 1.261 ( 1.459 -2.403 -4.729) 5.501 1.387 ( -1.091 6.204 2.905) 6.937 1.492 ( 6.407 1.794 1.111) 6.746 1.515 ( 0.001 3.068 0.325) 3.086 1.717 ( -2.237 5.856 -2.629) 6.797 1.813 ( 4.437 -2.310 -0.613) 5.040 1.899 ( -0.103 -1.800 1.586) 2.401 1.989 ( -2.201 1.365 -2.738) 3.769 2.020 ( 3.221 0.522 3.195) 4.566 2.273 ( 6.511 -5.351 5.715) 10.183 2.307 ( 4.913 -2.712 2.147) 6.008 2.359 ( 3.554 -2.254 6.268) 7.550 2.474 ( -7.094 -4.008 -1.217) 8.239 2.577 ( -5.822 -3.761 -6.811) 9.718 2.670 ( 6.600 4.433 2.919) 8.469 2.786 ( 1.687 -3.284 2.536) 4.479 2.834 ( 2.938 3.665 -4.749) 6.679 2.920 ( 0.488 -0.567 -1.724) 1.879 2.997 ( -9.043 0.116 -1.855) 9.233 3.032 ( -2.214 1.509 1.214) 2.942 3.145 ( -5.295 0.601 -0.810) 5.390 3.228 ( 0.706 -1.227 1.222) 1.870 3.318 ( -2.448 1.284 -4.186) 5.017 3.369 ( 0.454 0.335 -1.855) 1.939 3.514 ( -4.380 -4.717 -0.659) 6.470 3.776 ( -2.174 -4.941 0.500) 5.422 3.886 ( 7.425 1.195 5.355) 9.232 4.040 ( 2.262 2.674 -0.826) 3.599 4.106 ( -3.185 1.326 0.436) 3.478 4.286 ( 2.136 1.129 2.396) 3.403 4.318 ( 0.338 1.113 0.760) 1.389 4.493 ( 3.926 2.190 3.206) 5.522 4.553 ( -6.792 0.829 -3.506) 7.688 4.767 ( 0.324 2.128 -2.213) 3.087 4.863 ( 2.260 -2.987 0.921) 3.857 5.006 ( -1.929 -0.603 -2.756) 3.417 5.208 ( 1.879 0.065 6.260) 6.537 5.312 ( -3.343 -1.961 -3.855) 5.466 5.456 ( -0.305 -3.511 -0.059) 3.524 5.607 ( -0.636 1.519 1.124) 1.993 5.673 ( 3.752 -1.694 -1.424) 4.356 5.738 ( -1.898 -1.675 -0.224) 2.541 5.858 ( -0.119 2.289 -1.324) 2.647 6.029 ( 3.145 -1.772 0.705) 3.678 6.106 ( -0.674 -0.178 -0.574) 0.903 6.178 ( 0.126 1.312 -0.039) 1.319 6.298 ( -2.350 -4.520 -0.191) 5.098 6.530 ( 2.280 5.095 1.783) 5.860 6.828 ( -1.043 0.415 -1.529) 1.897 6.961 ( -1.242 1.156 1.385) 2.190 7.331 ( 1.428 -2.062 -1.028) 2.710 7.784 ( 3.224 -0.632 -0.972) 3.426 7.946 ( -3.356 0.197 1.325) 3.614 8.294 ( -0.194 2.457 2.293) 3.366 8.438 ( 2.267 2.883 -2.574) 4.481 8.737 ( 5.085 4.085 0.507) 6.542 9.148 ( -3.747 4.487 -0.369) 5.858 9.588 ( -1.359 0.318 0.241) 1.417 9.668 ( 0.178 -0.720 -0.092) 0.747 10.293 ( -0.589 1.983 -0.174) 2.076 10.307 ( -0.566 -0.652 -0.202) 0.887 10.708 ( -0.471 2.634 -0.332) 2.696 10.898 ( 1.214 -3.094 4.041) 5.233 11.370 ( -3.501 7.783 -9.225) 12.567 11.923 ( -1.625 -13.797 5.456) 14.925 11.984 ( -0.125 3.256 2.080) 3.866 12.291 ( 2.994 0.911 4.082) 5.143 13.194 ( -4.278 3.154 -9.714) 11.073 14.032 ( 4.130 -2.698 4.033) 6.372 ======================= Grid point 30 (23/138) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 1.477 3.259 -0.664) 3.639 1.107 ( -3.638 -1.003 -2.709) 4.645 1.153 ( -0.281 0.218 -0.619) 0.714 1.215 ( 3.365 6.724 -4.897) 8.973 1.353 ( -1.854 -2.807 5.388) 6.352 1.460 ( 0.761 3.805 -0.228) 3.887 1.493 ( 3.174 5.963 1.440) 6.907 1.594 ( -2.036 1.564 -0.699) 2.661 1.800 ( -2.087 1.199 -1.666) 2.927 1.869 ( -2.175 4.841 0.499) 5.330 2.026 ( 6.033 -0.913 -1.691) 6.332 2.054 ( 0.225 -3.390 3.026) 4.550 2.353 ( 2.465 -0.678 0.127) 2.560 2.427 ( 5.487 0.744 9.512) 11.006 2.451 ( 2.651 -5.126 1.242) 5.903 2.496 ( -1.888 -2.855 -2.203) 4.070 2.574 ( -4.834 -1.505 -5.244) 7.290 2.658 ( 5.776 1.649 1.297) 6.145 2.770 ( 1.039 1.456 -2.107) 2.763 2.857 ( 2.766 0.541 -6.873) 7.428 2.883 ( -5.213 -0.206 6.357) 8.224 2.971 ( -4.852 2.184 0.433) 5.339 3.011 ( -4.199 -5.614 -1.012) 7.084 3.156 ( -1.245 -4.609 -0.409) 4.792 3.229 ( 0.512 1.527 0.284) 1.636 3.293 ( 1.113 0.996 -0.824) 1.705 3.367 ( -0.520 -0.700 -1.896) 2.087 3.558 ( -2.130 -2.525 0.267) 3.315 3.876 ( 0.021 -5.203 0.447) 5.222 3.911 ( 5.785 4.236 4.209) 8.314 3.984 ( 0.914 3.885 -2.522) 4.721 4.085 ( -2.673 -3.232 0.632) 4.241 4.262 ( 0.465 2.488 0.518) 2.583 4.300 ( -0.671 0.465 0.383) 0.901 4.421 ( -0.196 3.906 1.852) 4.327 4.572 ( -1.931 -4.306 -1.354) 4.909 4.697 ( 0.029 4.954 -1.679) 5.231 4.954 ( 3.151 -2.963 0.968) 4.433 5.037 ( -2.974 -6.421 -2.849) 7.628 5.219 ( 2.461 1.908 1.502) 3.457 5.290 ( -2.181 1.275 -0.208) 2.534 5.533 ( 1.296 -4.231 -0.547) 4.459 5.582 ( -0.719 0.538 0.636) 1.100 5.659 ( 0.131 4.044 -1.511) 4.319 5.771 ( 0.595 -3.343 0.479) 3.429 5.879 ( -0.856 -1.905 0.449) 2.137 6.022 ( 0.846 1.684 3.023) 3.562 6.126 ( -0.177 -1.817 -1.150) 2.158 6.190 ( 1.653 -0.324 0.200) 1.696 6.364 ( -1.139 -3.147 0.094) 3.348 6.430 ( 0.303 5.665 -0.574) 5.702 6.838 ( -0.087 -2.124 -0.660) 2.226 6.957 ( -0.593 -1.226 0.392) 1.417 7.376 ( 0.973 -2.351 -0.100) 2.546 7.818 ( 5.175 0.208 -0.897) 5.256 7.899 ( -5.130 1.269 0.458) 5.305 8.277 ( 0.862 0.197 1.790) 1.996 8.367 ( -2.806 4.185 -1.385) 5.225 8.757 ( 8.204 -1.106 0.312) 8.284 9.034 ( -6.700 3.337 -1.046) 7.558 9.578 ( -0.796 -0.076 0.231) 0.833 9.673 ( 0.026 0.527 -0.052) 0.530 10.194 ( -1.228 4.322 -0.102) 4.495 10.388 ( 0.366 -4.684 0.081) 4.699 10.688 ( -0.770 -0.765 0.078) 1.088 10.992 ( 3.171 -3.547 9.419) 10.552 11.195 ( -4.398 4.639 -12.160) 13.738 11.929 ( 0.914 2.797 1.675) 3.386 12.130 ( 0.230 -6.378 -0.611) 6.411 12.419 ( 2.385 -12.325 6.502) 14.137 13.086 ( -3.221 3.558 -6.772) 8.300 14.107 ( 2.704 -2.067 2.171) 4.037 ======================= Grid point 31 (24/138) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -0.000 -1.254 -0.000) 1.254 1.018 ( 0.000 6.604 0.000) 6.604 1.129 ( 0.000 5.660 0.000) 5.660 1.176 ( -0.000 -0.120 -0.000) 0.120 1.326 ( 0.000 9.003 0.000) 9.003 1.354 ( 0.000 5.740 0.000) 5.740 1.419 ( -0.000 -0.965 -0.000) 0.965 1.614 ( -0.000 -2.004 -0.000) 2.004 1.715 ( 0.000 6.924 0.000) 6.924 1.847 ( -0.000 -4.201 -0.000) 4.201 2.027 ( 0.000 1.583 0.000) 1.583 2.130 ( -0.000 -2.583 -0.000) 2.583 2.359 ( 0.000 0.896 0.000) 0.896 2.388 ( 0.000 6.338 0.000) 6.338 2.487 ( 0.000 0.874 0.000) 0.874 2.544 ( 0.000 1.791 0.000) 1.791 2.580 ( -0.000 -4.864 -0.000) 4.864 2.690 ( -0.000 -2.384 -0.000) 2.384 2.775 ( 0.000 0.177 0.000) 0.177 2.821 ( -0.000 -0.589 -0.000) 0.589 2.920 ( 0.000 0.648 0.000) 0.648 2.921 ( -0.000 -2.240 -0.000) 2.240 3.084 ( -0.000 -2.333 -0.000) 2.333 3.204 ( -0.000 -0.695 -0.000) 0.695 3.261 ( 0.000 2.903 0.000) 2.903 3.263 ( -0.000 -5.921 -0.000) 5.921 3.386 ( -0.000 -1.897 -0.000) 1.897 3.584 ( -0.000 -1.226 -0.000) 1.226 3.788 ( 0.000 7.634 0.000) 7.634 3.917 ( 0.000 1.193 0.000) 1.193 4.002 ( -0.000 -3.200 -0.000) 3.200 4.166 ( -0.000 -5.589 -0.000) 5.589 4.207 ( 0.000 2.606 0.000) 2.606 4.335 ( -0.000 -4.178 -0.000) 4.178 4.388 ( 0.000 0.372 0.000) 0.372 4.606 ( 0.000 3.743 0.000) 3.743 4.647 ( -0.000 -4.648 -0.000) 4.648 5.027 ( -0.000 -3.735 -0.000) 3.735 5.103 ( 0.000 0.911 0.000) 0.911 5.172 ( 0.000 3.376 0.000) 3.376 5.279 ( -0.000 -2.084 -0.000) 2.084 5.580 ( -0.000 -0.095 -0.000) 0.095 5.598 ( 0.000 1.276 0.000) 1.276 5.619 ( -0.000 -4.263 -0.000) 4.263 5.827 ( -0.000 -2.054 -0.000) 2.054 5.856 ( 0.000 3.251 0.000) 3.251 6.066 ( -0.000 -4.709 -0.000) 4.709 6.123 ( 0.000 2.620 0.000) 2.620 6.182 ( 0.000 1.720 0.000) 1.720 6.314 ( 0.000 2.620 0.000) 2.620 6.443 ( -0.000 -2.579 -0.000) 2.579 6.884 ( -0.000 -2.538 -0.000) 2.538 6.996 ( -0.000 -2.954 -0.000) 2.954 7.440 ( -0.000 -3.977 -0.000) 3.977 7.795 ( 0.000 4.162 0.000) 4.162 7.895 ( -0.000 -3.260 -0.000) 3.260 8.251 ( 0.000 5.340 0.000) 5.340 8.311 ( -0.000 -2.205 -0.000) 2.205 8.861 ( -0.000 -4.593 -0.000) 4.593 8.943 ( 0.000 2.060 0.000) 2.060 9.582 ( -0.000 -0.626 -0.000) 0.626 9.649 ( 0.000 1.700 0.000) 1.700 10.129 ( 0.000 2.230 0.000) 2.230 10.473 ( -0.000 -4.159 -0.000) 4.159 10.713 ( -0.000 -1.764 -0.000) 1.764 11.089 ( 0.000 0.868 0.000) 0.868 11.112 ( -0.000 -4.232 -0.000) 4.232 11.902 ( 0.000 0.675 0.000) 0.675 12.219 ( -0.000 -4.782 -0.000) 4.782 12.735 ( -0.000 -18.018 -0.000) 18.018 12.987 ( 0.000 4.985 0.000) 4.985 14.162 ( -0.000 -2.684 -0.000) 2.684 ======================= Grid point 36 (25/138) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 15.488 0.000 0.505) 15.496 0.842 ( 10.196 0.000 7.450) 12.628 0.857 ( 7.218 0.000 -4.163) 8.333 0.945 ( 9.521 0.000 7.659) 12.219 1.236 ( 12.156 0.000 -1.674) 12.270 1.414 ( -0.339 -0.000 -6.285) 6.294 1.444 ( -5.614 -0.000 0.012) 5.614 1.583 ( -6.820 -0.000 -2.463) 7.251 1.640 ( -2.312 -0.000 -0.629) 2.396 1.791 ( 1.053 0.000 10.575) 10.627 1.839 ( 1.108 0.000 1.402) 1.787 2.049 ( -3.026 -0.000 -10.168) 10.609 2.183 ( -7.007 -0.000 6.453) 9.526 2.261 ( -8.187 -0.000 -5.511) 9.869 2.359 ( 3.789 0.000 0.745) 3.862 2.369 ( -7.793 -0.000 -2.978) 8.343 2.547 ( 10.708 0.000 -3.169) 11.167 2.605 ( -8.545 -0.000 -4.681) 9.743 2.814 ( 14.274 0.000 0.722) 14.292 2.916 ( -1.344 -0.000 6.427) 6.566 3.028 ( 3.481 0.000 1.829) 3.933 3.083 ( 0.793 0.000 -3.900) 3.980 3.117 ( 3.311 0.000 1.404) 3.597 3.234 ( -1.155 -0.000 9.070) 9.143 3.370 ( -3.493 -0.000 -8.198) 8.911 3.434 ( 0.143 0.000 -7.388) 7.389 3.543 ( 3.720 0.000 -0.295) 3.732 3.616 ( -6.660 -0.000 5.538) 8.662 3.760 ( 1.110 0.000 4.174) 4.319 3.858 ( 1.908 0.000 -1.275) 2.295 4.048 ( -5.085 -0.000 -10.617) 11.772 4.069 ( 1.138 0.000 3.643) 3.816 4.221 ( -8.854 -0.000 -3.350) 9.467 4.459 ( -1.893 -0.000 -3.041) 3.582 4.625 ( -5.718 -0.000 0.083) 5.718 4.669 ( -2.401 -0.000 1.450) 2.805 4.891 ( -0.191 -0.000 2.434) 2.441 4.917 ( -3.086 -0.000 -1.734) 3.540 4.957 ( 2.876 0.000 7.570) 8.098 5.012 ( -12.616 -0.000 4.044) 13.248 5.200 ( -0.295 -0.000 -5.336) 5.345 5.280 ( -3.107 -0.000 1.223) 3.339 5.519 ( -1.974 -0.000 1.507) 2.483 5.589 ( -4.142 -0.000 -2.826) 5.014 5.900 ( 7.368 0.000 -2.772) 7.872 5.990 ( -0.775 -0.000 -3.681) 3.762 6.044 ( -3.457 -0.000 0.490) 3.492 6.102 ( 1.425 0.000 -0.238) 1.445 6.335 ( -3.080 -0.000 -1.784) 3.559 6.453 ( 6.962 0.000 -2.136) 7.282 6.829 ( -0.108 -0.000 -8.270) 8.271 6.843 ( -6.930 -0.000 15.653) 17.118 7.024 ( 1.213 0.000 -1.578) 1.991 7.198 ( -6.307 -0.000 1.828) 6.567 7.614 ( 3.685 0.000 1.511) 3.982 7.763 ( 3.208 0.000 -1.298) 3.460 8.636 ( 10.672 0.000 -3.694) 11.293 8.655 ( -5.737 -0.000 -8.018) 9.859 8.972 ( -3.626 -0.000 6.169) 7.155 9.236 ( -8.944 -0.000 3.487) 9.600 9.810 ( 6.582 0.000 -9.000) 11.150 9.974 ( -2.382 -0.000 1.908) 3.052 10.207 ( -1.906 -0.000 10.306) 10.481 10.559 ( -2.740 -0.000 -1.328) 3.045 10.635 ( 1.297 0.000 -0.662) 1.456 11.013 ( -7.493 -0.000 0.297) 7.499 11.465 ( -2.215 -0.000 -4.287) 4.825 11.818 ( 5.636 0.000 9.154) 10.750 12.332 ( 8.561 0.000 3.937) 9.423 12.670 ( -9.630 -0.000 -0.856) 9.668 13.308 ( 7.921 0.000 -2.326) 8.256 13.828 ( -8.428 -0.000 -0.749) 8.461 ======================= Grid point 37 (26/138) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 8.510 0.649 -0.599) 8.556 0.899 ( 11.542 1.507 5.703) 12.962 0.981 ( 10.421 -7.137 -0.000) 12.631 1.135 ( 4.265 -7.375 -0.492) 8.534 1.319 ( -3.698 2.097 -5.686) 7.100 1.366 ( 4.469 0.710 -1.610) 4.803 1.412 ( 7.860 -3.024 0.779) 8.458 1.555 ( -0.990 -0.350 0.913) 1.391 1.692 ( -5.423 -5.996 -2.611) 8.496 1.792 ( -2.236 1.043 3.096) 3.959 1.867 ( 2.764 -1.431 6.821) 7.498 1.994 ( -3.000 1.433 -6.408) 7.219 2.150 ( -5.616 0.605 0.199) 5.652 2.171 ( -7.987 0.429 -1.559) 8.149 2.335 ( -4.619 -1.306 1.550) 5.044 2.398 ( 4.328 -0.279 -1.219) 4.505 2.522 ( -5.715 1.156 -0.221) 5.835 2.626 ( 9.813 0.200 -1.516) 9.931 2.900 ( 7.788 0.463 0.190) 7.804 2.921 ( -2.511 0.587 9.395) 9.742 3.030 ( 6.414 2.592 -6.198) 9.289 3.074 ( 1.856 0.827 -3.741) 4.257 3.157 ( 0.961 -1.288 1.521) 2.212 3.234 ( -0.305 1.149 7.313) 7.409 3.318 ( -4.449 0.131 -3.688) 5.781 3.399 ( -0.884 1.729 -6.074) 6.377 3.552 ( 0.647 2.842 1.598) 3.324 3.575 ( -2.479 -0.047 2.870) 3.792 3.762 ( 2.316 1.733 3.130) 4.262 3.881 ( -0.664 -0.513 -0.658) 1.066 3.951 ( -4.407 1.321 -5.721) 7.341 4.093 ( -3.384 -0.346 1.593) 3.756 4.172 ( -3.387 -1.639 -4.281) 5.700 4.433 ( -1.674 0.354 -2.259) 2.834 4.570 ( -3.198 1.560 2.608) 4.412 4.662 ( -4.892 -0.833 0.454) 4.983 4.856 ( -2.562 1.967 2.939) 4.367 4.900 ( -3.368 0.120 -0.322) 3.385 4.944 ( -6.008 -1.777 0.709) 6.306 5.001 ( 1.310 -0.663 6.686) 6.845 5.155 ( 0.320 1.107 -4.441) 4.588 5.348 ( -1.996 -3.309 1.347) 4.092 5.475 ( 0.677 0.953 -1.539) 1.933 5.576 ( -2.948 -1.540 -3.986) 5.192 5.898 ( -1.481 2.591 2.119) 3.660 5.933 ( 2.880 0.376 -3.942) 4.896 6.092 ( 0.865 2.464 2.047) 3.318 6.108 ( -2.104 -3.871 -3.283) 5.494 6.303 ( -3.425 0.070 -1.566) 3.767 6.458 ( 5.910 3.535 -4.185) 8.058 6.679 ( -2.178 7.040 9.645) 12.138 6.933 ( -4.595 -4.939 -4.317) 8.009 7.036 ( 1.153 -0.661 -1.652) 2.120 7.166 ( -1.365 0.743 3.799) 4.105 7.665 ( 2.942 -2.023 1.614) 3.918 7.802 ( 1.056 -2.260 -1.645) 2.988 8.541 ( -1.224 4.570 -2.024) 5.145 8.725 ( 3.600 -1.271 -3.736) 5.342 8.922 ( 0.716 3.114 2.731) 4.203 9.269 ( -6.744 -6.896 4.042) 10.458 9.803 ( 0.737 2.642 -2.503) 3.713 9.924 ( 6.384 10.598 -1.358) 12.447 10.088 ( -0.977 2.862 6.914) 7.547 10.527 ( -4.585 0.079 -0.519) 4.615 10.658 ( 0.175 -1.862 -1.837) 2.621 11.073 ( -7.119 -7.837 1.060) 10.640 11.370 ( 0.055 7.578 -4.162) 8.645 11.899 ( 4.456 -0.485 5.960) 7.457 12.340 ( 4.585 4.483 3.470) 7.291 12.618 ( -14.377 -2.157 -3.627) 14.984 13.352 ( 11.150 1.774 1.718) 11.420 13.793 ( -7.991 -2.497 -2.487) 8.734 ======================= Grid point 38 (27/138) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 8.340 -1.716 3.222) 9.104 0.984 ( 5.558 -2.450 2.259) 6.480 1.146 ( -3.197 0.588 -6.860) 7.591 1.212 ( 6.951 -8.281 2.612) 11.122 1.321 ( -0.028 0.431 -2.674) 2.709 1.384 ( 5.010 -5.882 -4.609) 8.996 1.553 ( 6.289 -0.981 0.012) 6.365 1.602 ( 1.230 -2.811 1.707) 3.511 1.735 ( 0.417 -3.911 -0.444) 3.958 1.797 ( -3.900 -3.678 0.512) 5.386 1.916 ( -4.330 -1.074 -1.763) 4.797 1.970 ( 6.149 -0.345 5.288) 8.117 2.092 ( -3.413 -0.233 0.312) 3.436 2.163 ( -2.195 -2.074 0.480) 3.057 2.327 ( -5.951 -1.437 1.881) 6.405 2.416 ( -2.580 -1.872 -6.645) 7.370 2.483 ( -0.213 2.345 7.500) 7.861 2.658 ( 6.546 3.265 -0.657) 7.345 2.842 ( -4.394 2.490 4.500) 6.764 2.946 ( 8.175 3.205 -2.783) 9.211 3.026 ( 5.819 0.885 -3.720) 6.963 3.069 ( 1.829 0.710 -2.659) 3.304 3.152 ( -4.601 0.800 -2.525) 5.309 3.191 ( -3.521 1.990 2.988) 5.029 3.306 ( 0.839 2.098 -2.692) 3.515 3.357 ( -1.802 -0.549 2.916) 3.472 3.479 ( -2.578 3.751 1.141) 4.693 3.571 ( 0.300 1.121 1.105) 1.603 3.699 ( -3.863 3.997 -2.093) 5.940 3.879 ( 1.358 -0.988 1.082) 1.997 3.969 ( 0.003 -3.628 0.917) 3.742 4.076 ( -4.140 -1.340 3.053) 5.316 4.182 ( -0.121 -0.927 -4.413) 4.511 4.418 ( 0.076 0.396 -1.483) 1.537 4.538 ( -1.333 0.743 1.347) 2.036 4.631 ( -5.933 -0.223 0.173) 5.940 4.818 ( -0.206 1.753 2.493) 3.055 4.893 ( -0.643 -1.294 -0.596) 1.564 4.976 ( 1.913 -2.001 2.493) 3.726 5.035 ( -2.888 -2.724 2.508) 4.696 5.153 ( 0.244 -1.737 -4.586) 4.910 5.328 ( 0.584 1.711 -0.135) 1.813 5.550 ( 0.676 -4.672 0.167) 4.724 5.578 ( -2.695 -3.275 -5.952) 7.309 5.851 ( -4.234 2.974 5.121) 7.280 5.925 ( 0.762 1.422 -3.138) 3.528 6.040 ( -0.168 2.109 1.424) 2.551 6.116 ( -0.529 0.916 -2.237) 2.475 6.280 ( -1.707 0.875 -0.162) 1.925 6.398 ( 2.467 5.057 -1.301) 5.775 6.597 ( -0.141 2.205 4.178) 4.726 6.947 ( -3.772 -0.752 -3.258) 5.041 7.043 ( 0.864 0.320 -2.026) 2.226 7.179 ( 1.621 -1.210 3.134) 3.730 7.724 ( 3.462 -1.325 0.744) 3.781 7.843 ( -1.929 -2.973 -0.842) 3.643 8.468 ( 1.302 3.376 0.811) 3.708 8.695 ( -3.808 3.208 -0.477) 5.002 8.916 ( 7.363 1.893 -1.952) 7.849 9.366 ( -3.462 -5.397 6.701) 9.274 9.692 ( -0.775 9.930 12.661) 16.109 9.763 ( 6.389 6.537 -16.454) 18.823 10.131 ( -1.052 -3.773 2.709) 4.762 10.494 ( -2.602 0.610 -1.240) 2.946 10.701 ( -1.099 -3.707 -0.944) 3.980 11.176 ( -6.495 -4.593 10.011) 12.787 11.190 ( 3.397 7.625 -11.170) 13.944 11.888 ( 2.375 5.154 1.720) 5.930 12.270 ( -0.187 5.256 2.025) 5.636 12.514 ( -10.884 2.318 0.242) 11.131 13.389 ( 6.224 2.194 -1.637) 6.800 13.799 ( -3.544 -3.668 -0.448) 5.120 ======================= Grid point 39 (28/138) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 3.268 0.138 0.934) 3.401 1.072 ( 1.211 -4.179 0.214) 4.357 1.119 ( -1.366 -1.350 -1.881) 2.688 1.262 ( -1.793 1.412 -2.861) 3.659 1.440 ( 6.723 -5.786 4.677) 10.027 1.518 ( 2.977 -2.540 -3.439) 5.209 1.577 ( 1.327 -1.689 -1.944) 2.897 1.640 ( 2.960 -2.625 -2.499) 4.680 1.796 ( -1.943 -2.001 -1.093) 2.995 1.894 ( -2.833 -0.965 -0.456) 3.027 1.914 ( 5.692 -4.691 2.547) 7.804 2.025 ( 3.628 -0.936 2.391) 4.444 2.135 ( 2.703 -2.575 3.615) 5.196 2.210 ( 0.976 -2.909 4.047) 5.079 2.323 ( -6.033 -2.667 1.509) 6.767 2.391 ( -5.636 4.435 5.921) 9.300 2.426 ( -3.397 -2.154 -10.867) 11.587 2.652 ( 5.453 0.171 3.625) 6.550 2.832 ( 2.450 0.403 3.411) 4.219 2.902 ( 3.108 4.249 -1.641) 5.514 2.998 ( -2.623 3.487 -4.679) 6.398 3.055 ( 0.984 1.443 -7.997) 8.186 3.118 ( 1.816 -0.912 0.450) 2.081 3.149 ( -4.668 0.881 5.913) 7.585 3.234 ( -1.041 3.743 -3.548) 5.261 3.371 ( -1.871 -0.799 3.018) 3.640 3.386 ( -3.960 3.495 -2.521) 5.853 3.519 ( 0.684 4.841 -0.110) 4.890 3.641 ( -4.833 -2.064 -0.075) 5.256 3.911 ( 3.930 0.056 1.842) 4.341 4.040 ( -1.242 -3.286 0.455) 3.542 4.113 ( -1.074 -2.368 7.569) 8.003 4.188 ( 0.847 -1.718 -5.526) 5.849 4.403 ( 1.079 1.464 -0.740) 1.964 4.521 ( -0.508 0.793 -0.245) 0.973 4.599 ( -4.283 -0.254 0.834) 4.371 4.795 ( 2.843 2.037 0.591) 3.547 4.913 ( 0.863 0.240 -0.565) 1.059 5.010 ( 0.904 -0.019 2.256) 2.431 5.108 ( -1.319 -6.116 1.323) 6.395 5.189 ( -0.355 -2.666 -3.412) 4.345 5.341 ( 1.638 -1.965 0.119) 2.561 5.570 ( -4.751 -2.766 -2.173) 5.911 5.662 ( 2.727 -2.242 -4.329) 5.586 5.739 ( -4.145 4.993 5.594) 8.568 5.897 ( -0.994 -0.530 -2.048) 2.337 6.042 ( 0.973 -1.210 0.372) 1.597 6.069 ( -0.159 3.797 -0.833) 3.891 6.243 ( -0.621 1.500 0.882) 1.847 6.317 ( 0.143 4.436 -0.676) 4.490 6.602 ( 1.478 -0.502 1.287) 2.023 6.900 ( -2.317 2.423 -0.607) 3.407 7.029 ( 0.242 1.351 -0.913) 1.648 7.236 ( 1.588 -2.724 1.073) 3.331 7.762 ( 3.007 -0.371 -0.860) 3.149 7.885 ( -2.464 -3.115 0.889) 4.070 8.426 ( 3.372 3.739 1.373) 5.219 8.588 ( -3.745 4.275 -1.112) 5.791 8.906 ( 4.587 3.808 -1.556) 6.161 9.398 ( 2.717 5.528 9.001) 10.907 9.585 ( 0.057 1.166 0.515) 1.276 9.669 ( -1.501 2.574 -7.731) 8.286 10.187 ( -0.962 -2.767 0.705) 3.013 10.455 ( -0.687 2.247 -1.436) 2.753 10.769 ( -1.052 -4.065 0.943) 4.304 10.972 ( 0.900 11.238 -2.208) 11.488 11.349 ( -1.161 -11.856 1.463) 12.002 11.761 ( -2.000 8.654 0.816) 8.919 12.164 ( -1.351 5.472 0.623) 5.671 12.410 ( -2.943 3.557 3.465) 5.772 13.335 ( -0.384 4.339 -6.434) 7.770 13.881 ( 1.445 -5.145 2.434) 5.873 ======================= Grid point 40 (29/138) ======================= q-point: ( 0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 1.178 -0.333 -0.997) 1.579 1.132 ( 1.000 -0.492 0.110) 1.120 1.164 ( -0.367 -4.298 0.880) 4.402 1.205 ( -2.757 2.220 -2.603) 4.393 1.496 ( 2.186 2.190 4.111) 5.146 1.543 ( 1.751 1.865 -5.255) 5.844 1.580 ( 1.046 1.454 0.978) 2.041 1.775 ( 3.158 -4.284 -0.090) 5.323 1.784 ( 0.860 -0.070 -0.558) 1.028 1.867 ( -3.244 0.402 -1.198) 3.482 1.984 ( 0.728 0.060 -0.611) 0.952 2.085 ( 4.960 1.838 1.930) 5.631 2.218 ( 5.365 -5.112 6.015) 9.544 2.292 ( -1.741 -4.351 5.301) 7.076 2.324 ( -0.480 -1.008 -3.295) 3.479 2.349 ( -5.347 -3.888 2.113) 6.940 2.456 ( -1.988 -4.476 -6.064) 7.795 2.733 ( 5.412 -2.928 4.471) 7.606 2.820 ( 2.694 4.041 3.111) 5.768 2.854 ( -1.025 1.225 -4.170) 4.465 2.912 ( -5.128 0.649 -2.649) 5.808 3.007 ( 4.389 4.030 -6.445) 8.778 3.082 ( -4.778 2.921 5.905) 8.138 3.132 ( -2.202 2.751 -2.080) 4.092 3.198 ( 0.537 -2.188 0.748) 2.374 3.303 ( -2.994 1.162 -2.764) 4.237 3.391 ( -0.692 -2.072 1.671) 2.751 3.436 ( -0.593 3.216 -1.978) 3.822 3.678 ( -2.103 -4.076 0.596) 4.625 3.946 ( 4.164 -0.285 1.705) 4.509 4.077 ( -0.549 -0.812 2.146) 2.359 4.112 ( -1.091 1.760 -0.161) 2.077 4.255 ( 0.120 -4.100 -0.361) 4.118 4.377 ( 1.496 2.309 0.274) 2.764 4.499 ( -1.333 0.751 -0.419) 1.587 4.577 ( -0.747 1.123 0.206) 1.364 4.787 ( 1.872 0.985 -0.698) 2.227 4.879 ( 0.216 2.555 0.859) 2.705 5.013 ( -0.190 0.924 -0.115) 0.950 5.205 ( 0.178 -2.954 5.089) 5.887 5.228 ( -0.421 -3.399 -5.092) 6.137 5.390 ( -0.660 -2.653 0.228) 2.744 5.614 ( -1.462 -4.864 -0.477) 5.101 5.643 ( -0.011 1.624 0.570) 1.721 5.694 ( -0.005 0.140 -1.225) 1.233 5.951 ( 1.737 0.710 -0.460) 1.932 5.972 ( -0.978 0.564 -0.980) 1.495 6.084 ( 0.326 -2.292 0.222) 2.325 6.224 ( -0.312 2.957 0.953) 3.122 6.243 ( -0.700 0.528 -0.888) 1.248 6.611 ( 1.319 1.521 0.974) 2.236 6.841 ( -1.164 2.167 -0.250) 2.472 6.993 ( -0.253 2.286 0.204) 2.309 7.296 ( 0.853 -2.569 -0.045) 2.707 7.785 ( 1.860 -0.697 -0.908) 2.184 7.918 ( -1.807 -1.598 1.053) 2.632 8.367 ( 1.237 4.752 1.063) 5.024 8.508 ( 0.373 2.745 -1.320) 3.068 8.838 ( 1.275 4.887 -0.268) 5.057 9.269 ( 0.832 9.242 1.796) 9.451 9.593 ( -0.221 0.826 0.272) 0.897 9.637 ( -1.052 -2.199 -1.628) 2.931 10.235 ( -0.243 -3.128 0.003) 3.138 10.387 ( -0.414 4.542 -0.382) 4.577 10.798 ( 0.170 7.316 -0.653) 7.347 10.837 ( -0.368 -3.862 0.861) 3.974 11.521 ( 3.986 7.379 -5.191) 9.864 11.637 ( -6.843 -11.496 5.440) 14.443 12.066 ( -0.351 4.365 0.419) 4.399 12.354 ( 1.010 2.864 2.895) 4.196 13.226 ( -1.760 4.527 -5.256) 7.157 13.993 ( 1.829 -4.581 1.972) 5.312 ======================= Grid point 41 (30/138) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -0.000 -2.773 -0.000) 2.773 1.085 ( 0.000 6.461 0.000) 6.461 1.151 ( -0.000 -0.416 -0.000) 0.416 1.268 ( -0.000 -5.230 -0.000) 5.230 1.391 ( 0.000 9.731 0.000) 9.731 1.498 ( 0.000 0.911 0.000) 0.911 1.585 ( 0.000 0.352 0.000) 0.352 1.669 ( 0.000 7.956 0.000) 7.956 1.820 ( 0.000 1.708 0.000) 1.708 1.943 ( -0.000 -6.756 -0.000) 6.756 1.945 ( 0.000 3.496 0.000) 3.496 2.070 ( 0.000 1.234 0.000) 1.234 2.347 ( -0.000 -1.426 -0.000) 1.426 2.363 ( -0.000 -4.362 -0.000) 4.362 2.395 ( -0.000 -5.753 -0.000) 5.753 2.411 ( -0.000 -7.117 -0.000) 7.117 2.507 ( -0.000 -1.562 -0.000) 1.562 2.758 ( 0.000 4.174 0.000) 4.174 2.800 ( 0.000 1.566 0.000) 1.566 2.842 ( -0.000 -1.688 -0.000) 1.688 2.888 ( -0.000 -2.665 -0.000) 2.665 2.936 ( 0.000 4.065 0.000) 4.065 3.007 ( 0.000 3.345 0.000) 3.345 3.093 ( -0.000 -0.787 -0.000) 0.787 3.236 ( -0.000 -1.078 -0.000) 1.078 3.295 ( -0.000 -0.829 -0.000) 0.829 3.371 ( 0.000 1.852 0.000) 1.852 3.473 ( -0.000 -5.162 -0.000) 5.162 3.761 ( -0.000 -5.645 -0.000) 5.645 3.984 ( -0.000 -1.131 -0.000) 1.131 4.056 ( 0.000 2.050 0.000) 2.050 4.062 ( 0.000 3.583 0.000) 3.583 4.300 ( -0.000 -0.140 -0.000) 0.140 4.335 ( 0.000 2.895 0.000) 2.895 4.478 ( 0.000 0.837 0.000) 0.837 4.535 ( 0.000 2.480 0.000) 2.480 4.767 ( 0.000 2.185 0.000) 2.185 4.893 ( -0.000 -4.414 -0.000) 4.414 4.972 ( 0.000 2.050 0.000) 2.050 5.253 ( -0.000 -0.318 -0.000) 0.318 5.264 ( -0.000 -2.224 -0.000) 2.224 5.454 ( -0.000 -4.356 -0.000) 4.356 5.604 ( 0.000 1.755 0.000) 1.755 5.705 ( -0.000 -1.719 -0.000) 1.719 5.717 ( -0.000 -2.587 -0.000) 2.587 5.853 ( 0.000 2.612 0.000) 2.612 6.064 ( -0.000 -4.422 -0.000) 4.422 6.093 ( 0.000 3.072 0.000) 3.072 6.176 ( -0.000 -0.592 -0.000) 0.592 6.278 ( -0.000 -3.712 -0.000) 3.712 6.554 ( 0.000 5.458 0.000) 5.458 6.814 ( -0.000 -0.014 -0.000) 0.014 6.955 ( 0.000 1.260 0.000) 1.260 7.340 ( -0.000 -1.968 -0.000) 1.968 7.812 ( -0.000 -1.511 -0.000) 1.511 7.917 ( 0.000 1.087 0.000) 1.087 8.299 ( 0.000 2.488 0.000) 2.488 8.450 ( 0.000 4.343 0.000) 4.343 8.779 ( 0.000 1.477 0.000) 1.477 9.114 ( 0.000 7.309 0.000) 7.309 9.577 ( 0.000 0.380 0.000) 0.380 9.670 ( -0.000 -1.113 -0.000) 1.113 10.286 ( 0.000 5.739 0.000) 5.739 10.304 ( -0.000 -4.328 -0.000) 4.328 10.704 ( 0.000 2.883 0.000) 2.883 10.919 ( -0.000 -4.971 -0.000) 4.971 11.321 ( 0.000 10.441 0.000) 10.441 11.910 ( -0.000 -15.200 -0.000) 15.200 11.996 ( 0.000 3.287 0.000) 3.287 12.332 ( -0.000 -0.307 -0.000) 0.307 13.134 ( 0.000 3.826 0.000) 3.826 14.074 ( -0.000 -3.042 -0.000) 3.042 ======================= Grid point 48 (31/138) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 8.151 0.000 -3.064) 8.708 0.971 ( 9.701 0.000 -1.652) 9.840 1.039 ( 3.782 0.000 1.057) 3.927 1.066 ( 8.165 0.000 5.699) 9.957 1.301 ( -6.864 -0.000 -6.312) 9.325 1.387 ( 0.984 0.000 -5.552) 5.639 1.454 ( 14.695 0.000 5.255) 15.607 1.564 ( 2.970 0.000 1.313) 3.247 1.591 ( -3.507 -0.000 -0.352) 3.525 1.817 ( -5.215 -0.000 1.281) 5.370 1.836 ( -0.367 -0.000 4.820) 4.834 1.964 ( -4.525 -0.000 -5.599) 7.199 2.118 ( -4.826 -0.000 1.282) 4.993 2.120 ( -6.564 -0.000 -2.691) 7.094 2.297 ( -5.150 -0.000 3.499) 6.226 2.443 ( 8.287 0.000 -4.739) 9.546 2.486 ( -3.856 -0.000 0.901) 3.960 2.708 ( 11.428 0.000 -1.914) 11.587 2.890 ( -9.345 -0.000 15.120) 17.775 2.997 ( 11.212 0.000 -1.650) 11.333 3.054 ( 2.915 0.000 -6.147) 6.804 3.131 ( 6.689 0.000 -3.778) 7.683 3.155 ( 0.925 0.000 -0.410) 1.011 3.261 ( -1.164 -0.000 9.744) 9.813 3.268 ( -5.185 -0.000 -4.061) 6.586 3.394 ( -1.174 -0.000 -6.780) 6.881 3.546 ( -5.674 -0.000 4.568) 7.284 3.607 ( 3.788 0.000 0.346) 3.803 3.808 ( 3.146 0.000 5.556) 6.385 3.865 ( -0.952 -0.000 -1.990) 2.206 3.923 ( -4.336 -0.000 -8.991) 9.982 4.072 ( -4.988 -0.000 1.609) 5.241 4.117 ( -1.464 -0.000 -1.920) 2.415 4.416 ( -1.946 -0.000 -2.098) 2.861 4.564 ( -4.412 -0.000 4.661) 6.418 4.619 ( -5.299 -0.000 0.128) 5.300 4.823 ( -11.985 -0.000 -0.851) 12.016 4.854 ( -2.502 -0.000 0.845) 2.641 4.893 ( -1.772 -0.000 -1.535) 2.344 5.045 ( 1.857 0.000 9.706) 9.882 5.171 ( 0.304 0.000 -4.698) 4.707 5.303 ( 3.075 0.000 3.709) 4.818 5.514 ( 0.845 0.000 0.185) 0.864 5.533 ( -2.203 -0.000 -2.034) 2.998 5.918 ( -4.447 -0.000 -9.042) 10.077 5.934 ( -1.964 -0.000 -3.487) 4.002 6.028 ( 2.010 0.000 1.063) 2.274 6.131 ( 1.000 0.000 4.257) 4.373 6.273 ( -3.170 -0.000 -3.090) 4.427 6.534 ( 6.531 0.000 -4.111) 7.718 6.791 ( -8.559 -0.000 11.703) 14.499 6.810 ( 1.997 0.000 -6.046) 6.368 7.031 ( 0.635 0.000 -1.080) 1.253 7.175 ( 0.158 0.000 3.601) 3.605 7.659 ( 1.879 0.000 0.664) 1.993 7.797 ( 2.301 0.000 -1.309) 2.648 8.570 ( -2.459 -0.000 -3.879) 4.592 8.718 ( 1.860 0.000 -1.557) 2.425 8.969 ( 0.967 0.000 3.010) 3.161 9.153 ( -4.426 -0.000 1.758) 4.763 9.848 ( 3.221 0.000 -4.561) 5.584 9.958 ( -1.102 -0.000 2.151) 2.417 10.208 ( -2.628 -0.000 5.452) 6.052 10.478 ( -6.805 -0.000 -1.635) 6.999 10.650 ( 1.332 0.000 -1.024) 1.680 10.945 ( -2.357 -0.000 0.232) 2.369 11.426 ( -1.251 -0.000 -2.233) 2.559 11.954 ( 6.704 0.000 10.434) 12.402 12.457 ( 6.205 0.000 3.563) 7.155 12.471 ( -12.338 -0.000 -8.955) 15.245 13.449 ( 9.059 0.000 2.683) 9.448 13.704 ( -7.139 -0.000 -3.002) 7.744 ======================= Grid point 49 (32/138) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 7.783 -0.493 -0.576) 7.819 1.030 ( 3.681 0.509 1.369) 3.960 1.095 ( -2.657 -1.495 -5.022) 5.874 1.131 ( 4.403 -4.974 0.343) 6.652 1.281 ( 3.940 -2.091 -0.136) 4.462 1.382 ( 2.567 1.128 -2.404) 3.694 1.581 ( 6.599 -0.598 2.310) 7.017 1.593 ( 3.466 -1.686 -1.013) 3.985 1.625 ( -1.948 -3.936 1.499) 4.640 1.754 ( -0.986 -0.291 1.890) 2.152 1.873 ( -3.166 -1.224 -2.392) 4.152 1.938 ( -4.849 -3.668 0.973) 6.157 2.063 ( -2.884 0.990 -0.758) 3.142 2.118 ( -1.312 -1.886 1.381) 2.681 2.265 ( -7.475 -1.279 -0.362) 7.592 2.419 ( 2.355 3.558 -0.609) 4.310 2.540 ( 7.010 -1.195 0.991) 7.180 2.753 ( 5.204 2.400 -2.246) 6.155 2.840 ( -7.528 1.207 10.645) 13.093 3.038 ( 6.450 1.399 -4.493) 7.984 3.077 ( 4.263 0.882 -1.571) 4.628 3.108 ( 1.792 2.518 -1.926) 3.642 3.149 ( -1.323 1.737 -3.502) 4.127 3.222 ( 0.077 1.439 1.897) 2.383 3.302 ( -1.577 -2.360 5.703) 6.371 3.351 ( -2.185 1.683 -5.279) 5.956 3.513 ( -3.567 1.132 3.917) 5.417 3.610 ( 2.909 2.142 0.126) 3.614 3.759 ( -4.715 5.860 -4.479) 8.754 3.875 ( 4.509 -1.762 2.531) 5.463 3.912 ( -0.875 -1.967 -0.124) 2.157 4.038 ( -4.226 -0.358 1.895) 4.645 4.137 ( -0.813 -2.350 -3.364) 4.184 4.409 ( -0.675 -0.701 -1.080) 1.453 4.543 ( -2.346 0.461 3.509) 4.246 4.581 ( -5.976 -0.470 -0.691) 6.035 4.766 ( -6.595 -1.992 -1.783) 7.116 4.866 ( -0.691 -2.164 1.369) 2.653 4.903 ( -1.694 -3.002 -1.257) 3.669 5.065 ( 1.644 1.090 8.521) 8.746 5.148 ( 1.101 1.420 -3.941) 4.331 5.351 ( 0.283 -0.381 1.528) 1.600 5.503 ( 3.232 -0.690 0.845) 3.411 5.524 ( -1.223 -0.146 -4.514) 4.679 5.860 ( -3.158 0.501 0.847) 3.308 5.920 ( -3.475 -0.755 -4.756) 5.939 6.056 ( -0.321 -0.172 -1.256) 1.308 6.134 ( 1.287 1.055 2.627) 3.109 6.259 ( -1.322 -1.149 -2.066) 2.709 6.514 ( 4.337 5.103 -4.151) 7.879 6.675 ( -3.558 5.458 7.131) 9.659 6.879 ( -0.829 -3.808 -2.800) 4.799 7.039 ( 0.284 -0.566 -1.068) 1.242 7.187 ( 1.101 -0.001 3.000) 3.196 7.703 ( 1.530 -2.957 0.633) 3.389 7.807 ( 0.628 -0.095 -1.050) 1.227 8.527 ( 0.515 2.000 -1.500) 2.552 8.704 ( -3.654 1.550 0.500) 4.000 8.982 ( 4.974 0.469 -0.831) 5.065 9.209 ( -3.495 -7.367 2.446) 8.513 9.792 ( -0.968 4.840 0.105) 4.937 9.996 ( 5.296 2.529 -3.400) 6.782 10.089 ( -2.755 5.752 5.405) 8.359 10.451 ( -4.707 -2.013 -1.103) 5.237 10.648 ( -0.320 -0.410 -1.117) 1.232 11.014 ( -2.131 -6.784 0.628) 7.138 11.357 ( 0.075 6.244 -1.896) 6.526 12.007 ( 5.972 2.863 7.629) 10.102 12.320 ( -7.955 3.482 -6.624) 10.922 12.498 ( 0.108 0.968 2.044) 2.264 13.483 ( 5.276 2.894 0.783) 6.068 13.694 ( -3.860 -4.104 -1.398) 5.805 ======================= Grid point 50 (33/138) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 2.848 -1.140 1.910) 3.614 1.036 ( 0.878 0.754 -2.850) 3.077 1.070 ( -1.021 -1.620 -0.023) 1.915 1.263 ( -0.023 -1.690 -1.629) 2.348 1.373 ( 6.204 -5.570 3.200) 8.931 1.431 ( 2.137 -6.111 -3.047) 7.156 1.551 ( -3.658 1.410 -1.115) 4.076 1.645 ( 3.945 0.015 -0.419) 3.967 1.695 ( -3.222 -5.590 -0.235) 6.457 1.844 ( -1.119 -2.296 0.719) 2.653 1.881 ( 6.725 -4.298 0.667) 8.009 2.016 ( -5.639 -7.272 1.023) 9.259 2.045 ( 0.374 0.207 0.738) 0.853 2.178 ( 2.713 -3.353 2.396) 4.934 2.251 ( -5.522 -2.893 -2.193) 6.609 2.368 ( 0.449 2.742 0.165) 2.783 2.541 ( 2.608 8.232 1.180) 8.715 2.694 ( -0.975 0.401 1.298) 1.672 2.841 ( 1.495 -0.723 2.054) 2.641 3.007 ( 1.883 4.973 -2.011) 5.686 3.035 ( -2.902 4.125 -3.623) 6.210 3.063 ( 0.290 0.007 -1.250) 1.283 3.140 ( 3.867 0.442 -0.620) 3.941 3.185 ( -0.045 3.773 2.424) 4.485 3.282 ( -1.376 2.447 -2.022) 3.459 3.344 ( -1.726 -1.611 1.613) 2.859 3.452 ( -1.664 4.867 1.653) 5.402 3.581 ( 0.405 1.369 -0.026) 1.428 3.622 ( -3.055 3.943 -2.010) 5.378 3.934 ( 2.917 -0.515 1.572) 3.353 3.963 ( -0.781 -3.662 -0.645) 3.800 4.062 ( -0.386 -3.626 4.948) 6.146 4.154 ( -0.949 -1.092 -4.270) 4.509 4.418 ( 0.239 -0.163 -0.312) 0.426 4.526 ( -1.335 0.516 0.255) 1.454 4.565 ( -2.106 -1.129 0.566) 2.455 4.785 ( -2.261 -3.252 -0.948) 4.072 4.910 ( 1.327 -1.428 0.346) 1.980 4.981 ( -1.113 -6.178 -0.151) 6.280 5.055 ( 1.852 3.251 4.601) 5.930 5.138 ( -0.376 -1.787 -3.182) 3.669 5.343 ( 1.093 0.223 0.386) 1.181 5.503 ( -2.637 -0.492 -2.088) 3.399 5.604 ( 4.270 -5.364 -1.143) 6.951 5.798 ( -5.006 3.985 2.760) 6.969 5.899 ( -1.215 0.753 -1.618) 2.159 6.041 ( 0.157 0.435 -0.070) 0.467 6.119 ( 0.760 1.866 -0.217) 2.026 6.262 ( -0.594 0.470 -0.231) 0.792 6.418 ( 0.876 5.971 -0.600) 6.065 6.605 ( -0.288 1.128 1.326) 1.764 6.911 ( -0.611 -0.359 -0.791) 1.062 7.043 ( 0.171 0.180 -0.900) 0.933 7.209 ( 0.773 -1.231 1.273) 1.932 7.773 ( 3.116 -1.690 -0.206) 3.550 7.811 ( -2.418 -2.006 0.143) 3.145 8.510 ( 3.782 1.432 -0.231) 4.051 8.617 ( -5.552 4.000 0.611) 6.870 8.993 ( 3.507 2.207 -1.354) 4.359 9.353 ( -1.261 -8.497 2.695) 9.003 9.695 ( -2.049 4.414 3.924) 6.252 9.800 ( 3.849 14.595 -5.532) 16.076 10.122 ( -0.952 -3.851 1.068) 4.108 10.461 ( -1.136 -0.796 -0.540) 1.488 10.683 ( -0.732 -4.009 -0.386) 4.093 11.143 ( -1.946 -8.752 2.877) 9.416 11.192 ( 1.101 11.052 -3.228) 11.566 11.933 ( 2.010 8.974 1.693) 9.351 12.219 ( -3.886 2.223 -2.058) 4.928 12.460 ( -0.416 2.841 2.515) 3.817 13.420 ( 0.638 5.398 -2.119) 5.834 13.783 ( 0.033 -6.235 0.772) 6.283 ======================= Grid point 51 (34/138) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 0.000 1.282 0.000) 1.282 1.081 ( -0.000 -3.685 -0.000) 3.685 1.104 ( -0.000 -2.129 -0.000) 2.129 1.241 ( 0.000 1.951 0.000) 1.951 1.520 ( -0.000 -0.481 -0.000) 0.481 1.534 ( -0.000 -4.332 -0.000) 4.332 1.557 ( -0.000 -4.817 -0.000) 4.817 1.668 ( -0.000 -3.801 -0.000) 3.801 1.766 ( -0.000 -2.851 -0.000) 2.851 1.862 ( -0.000 -0.586 -0.000) 0.586 1.990 ( -0.000 -1.044 -0.000) 1.044 2.081 ( -0.000 -4.082 -0.000) 4.082 2.133 ( -0.000 -8.021 -0.000) 8.021 2.249 ( -0.000 -1.118 -0.000) 1.118 2.281 ( -0.000 -1.386 -0.000) 1.386 2.356 ( -0.000 -3.188 -0.000) 3.188 2.366 ( 0.000 7.524 0.000) 7.524 2.719 ( -0.000 -1.538 -0.000) 1.538 2.868 ( -0.000 -1.017 -0.000) 1.017 2.904 ( 0.000 5.203 0.000) 5.203 2.936 ( 0.000 4.799 0.000) 4.799 3.069 ( -0.000 -0.303 -0.000) 0.303 3.105 ( 0.000 4.240 0.000) 4.240 3.158 ( -0.000 -0.939 -0.000) 0.939 3.217 ( 0.000 4.014 0.000) 4.014 3.341 ( 0.000 4.265 0.000) 4.265 3.358 ( -0.000 -0.158 -0.000) 0.158 3.527 ( 0.000 5.169 0.000) 5.169 3.603 ( -0.000 -2.916 -0.000) 2.916 3.954 ( -0.000 -0.383 -0.000) 0.383 4.024 ( -0.000 -3.586 -0.000) 3.586 4.143 ( 0.000 0.996 0.000) 0.996 4.163 ( -0.000 -5.393 -0.000) 5.393 4.410 ( 0.000 0.949 0.000) 0.949 4.510 ( 0.000 0.738 0.000) 0.738 4.578 ( -0.000 -0.508 -0.000) 0.508 4.816 ( 0.000 0.030 0.000) 0.030 4.919 ( 0.000 1.216 0.000) 1.216 5.011 ( 0.000 0.051 0.000) 0.051 5.112 ( -0.000 -6.343 -0.000) 6.343 5.181 ( -0.000 -2.511 -0.000) 2.511 5.360 ( -0.000 -0.957 -0.000) 0.957 5.518 ( -0.000 -3.155 -0.000) 3.155 5.698 ( 0.000 3.973 0.000) 3.973 5.701 ( -0.000 -1.485 -0.000) 1.485 5.878 ( -0.000 -1.450 -0.000) 1.450 6.051 ( -0.000 -1.223 -0.000) 1.223 6.068 ( 0.000 4.198 0.000) 4.198 6.243 ( 0.000 0.859 0.000) 0.859 6.314 ( 0.000 5.295 0.000) 5.295 6.616 ( -0.000 -1.038 -0.000) 1.038 6.884 ( 0.000 2.458 0.000) 2.458 7.029 ( 0.000 1.413 0.000) 1.413 7.250 ( -0.000 -2.604 -0.000) 2.604 7.786 ( 0.000 0.135 0.000) 0.135 7.866 ( -0.000 -3.390 -0.000) 3.390 8.483 ( 0.000 6.309 0.000) 6.309 8.527 ( 0.000 0.349 0.000) 0.349 8.937 ( 0.000 4.763 0.000) 4.763 9.448 ( 0.000 3.725 0.000) 3.725 9.588 ( 0.000 3.240 0.000) 3.240 9.630 ( 0.000 2.660 0.000) 2.660 10.180 ( -0.000 -2.865 -0.000) 2.865 10.447 ( 0.000 1.977 0.000) 1.977 10.762 ( -0.000 -4.297 -0.000) 4.297 10.974 ( 0.000 11.372 0.000) 11.372 11.344 ( -0.000 -13.171 -0.000) 13.171 11.749 ( 0.000 11.200 0.000) 11.200 12.145 ( 0.000 4.227 0.000) 4.227 12.412 ( 0.000 2.655 0.000) 2.655 13.311 ( 0.000 5.742 0.000) 5.742 13.902 ( -0.000 -6.045 -0.000) 6.045 ======================= Grid point 61 (35/138) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 5.861 0.000 -3.554) 6.855 1.019 ( 0.931 0.000 -1.313) 1.609 1.060 ( -4.806 -0.000 0.237) 4.812 1.103 ( 2.645 0.000 -0.515) 2.695 1.314 ( 4.254 0.000 2.148) 4.766 1.412 ( 4.526 0.000 -0.733) 4.585 1.533 ( -4.357 -0.000 -0.687) 4.411 1.645 ( 6.067 0.000 0.292) 6.074 1.659 ( 9.216 0.000 3.953) 10.028 1.732 ( -4.589 -0.000 0.019) 4.589 1.814 ( -3.356 -0.000 -0.270) 3.366 1.861 ( -6.459 -0.000 -2.170) 6.814 2.059 ( -1.530 -0.000 -0.488) 1.606 2.096 ( 0.848 0.000 1.669) 1.872 2.192 ( -7.153 -0.000 -1.829) 7.383 2.516 ( 2.415 0.000 4.147) 4.799 2.535 ( 6.245 0.000 -4.333) 7.601 2.789 ( -2.336 -0.000 0.752) 2.454 2.849 ( 0.303 0.000 5.750) 5.758 3.071 ( 1.603 0.000 -1.553) 2.232 3.107 ( 3.468 0.000 -0.677) 3.534 3.132 ( -0.107 -0.000 -3.864) 3.865 3.192 ( 2.565 0.000 -1.603) 3.024 3.209 ( -2.300 -0.000 0.816) 2.440 3.288 ( 0.205 0.000 6.671) 6.674 3.341 ( -1.944 -0.000 -5.654) 5.979 3.510 ( -1.467 -0.000 2.005) 2.484 3.648 ( 1.254 0.000 1.690) 2.105 3.795 ( -3.032 -0.000 -4.700) 5.593 3.886 ( -0.123 -0.000 -1.024) 1.031 3.908 ( 6.558 0.000 4.120) 7.745 4.007 ( -3.824 -0.000 1.881) 4.262 4.086 ( -2.618 -0.000 -2.943) 3.939 4.391 ( -0.618 -0.000 -0.830) 1.035 4.534 ( -4.365 -0.000 -0.771) 4.432 4.539 ( -1.597 -0.000 2.569) 3.025 4.701 ( -3.796 -0.000 -1.119) 3.958 4.841 ( 0.010 0.000 0.789) 0.790 4.859 ( -1.660 -0.000 -1.088) 1.984 5.089 ( -0.025 -0.000 3.947) 3.947 5.174 ( 1.205 0.000 -0.806) 1.450 5.356 ( 1.544 0.000 1.882) 2.434 5.508 ( -0.572 -0.000 -0.273) 0.634 5.543 ( 2.248 0.000 0.099) 2.250 5.820 ( -2.867 -0.000 -5.423) 6.135 5.869 ( -3.321 -0.000 -1.504) 3.645 6.064 ( 1.544 0.000 0.126) 1.549 6.157 ( -0.074 -0.000 3.338) 3.339 6.232 ( -0.589 -0.000 -2.533) 2.600 6.600 ( 4.742 0.000 -3.979) 6.190 6.723 ( -5.791 -0.000 6.263) 8.530 6.818 ( 1.146 0.000 -1.990) 2.297 7.033 ( 0.110 0.000 -0.354) 0.370 7.201 ( 0.858 0.000 1.714) 1.917 7.676 ( 0.462 0.000 0.102) 0.473 7.815 ( 0.852 0.000 -0.522) 0.999 8.540 ( -0.521 -0.000 -1.022) 1.147 8.707 ( -1.149 -0.000 -0.338) 1.197 9.006 ( 1.666 0.000 0.704) 1.809 9.119 ( -1.252 -0.000 0.541) 1.364 9.863 ( 0.987 0.000 -1.409) 1.720 9.959 ( -0.023 -0.000 1.089) 1.089 10.194 ( -1.285 -0.000 1.739) 2.162 10.387 ( -3.734 -0.000 -0.901) 3.841 10.661 ( 0.568 0.000 -0.478) 0.742 10.931 ( -0.200 -0.000 0.102) 0.224 11.408 ( -0.401 -0.000 -0.705) 0.811 12.102 ( 7.199 0.000 11.028) 13.170 12.269 ( -9.200 -0.000 -10.979) 14.324 12.533 ( 2.418 0.000 1.542) 2.868 13.552 ( 3.402 0.000 1.452) 3.699 13.616 ( -2.979 -0.000 -1.614) 3.388 ======================= Grid point 62 (36/138) ======================= q-point: ( 0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.000 0.171 0.000) 0.171 1.032 ( 0.000 0.158 0.000) 0.158 1.048 ( -0.000 -1.972 -0.000) 1.972 1.174 ( -0.000 -5.770 -0.000) 5.770 1.340 ( -0.000 -1.723 -0.000) 1.723 1.407 ( 0.000 2.231 0.000) 2.231 1.570 ( -0.000 -5.496 -0.000) 5.496 1.594 ( 0.000 4.814 0.000) 4.814 1.674 ( 0.000 0.508 0.000) 0.508 1.808 ( -0.000 -1.234 -0.000) 1.234 1.839 ( -0.000 -7.393 -0.000) 7.393 1.852 ( -0.000 -2.497 -0.000) 2.497 2.050 ( 0.000 0.176 0.000) 0.176 2.135 ( -0.000 -3.049 -0.000) 3.049 2.173 ( -0.000 -1.435 -0.000) 1.435 2.451 ( 0.000 4.733 0.000) 4.733 2.630 ( -0.000 -4.252 -0.000) 4.252 2.715 ( 0.000 6.519 0.000) 6.519 2.852 ( 0.000 0.572 0.000) 0.572 3.065 ( 0.000 0.578 0.000) 0.578 3.085 ( 0.000 2.682 0.000) 2.682 3.109 ( 0.000 5.172 0.000) 5.172 3.153 ( -0.000 -0.888 -0.000) 0.888 3.251 ( 0.000 0.797 0.000) 0.797 3.299 ( -0.000 -1.425 -0.000) 1.425 3.305 ( 0.000 1.452 0.000) 1.452 3.499 ( 0.000 1.011 0.000) 1.011 3.649 ( 0.000 0.998 0.000) 0.998 3.685 ( 0.000 7.639 0.000) 7.639 3.903 ( -0.000 -2.077 -0.000) 2.077 3.946 ( -0.000 -0.043 -0.000) 0.043 4.010 ( -0.000 -2.027 -0.000) 2.027 4.108 ( -0.000 -2.801 -0.000) 2.801 4.402 ( -0.000 -1.251 -0.000) 1.251 4.521 ( -0.000 -0.253 -0.000) 0.253 4.540 ( -0.000 -0.606 -0.000) 0.606 4.712 ( -0.000 -2.636 -0.000) 2.636 4.873 ( -0.000 -2.301 -0.000) 2.301 4.878 ( -0.000 -3.785 -0.000) 3.785 5.101 ( -0.000 -0.923 -0.000) 0.923 5.148 ( 0.000 3.346 0.000) 3.346 5.356 ( 0.000 0.812 0.000) 0.812 5.499 ( 0.000 0.673 0.000) 0.673 5.547 ( -0.000 -1.538 -0.000) 1.538 5.839 ( 0.000 1.848 0.000) 1.848 5.860 ( -0.000 -3.859 -0.000) 3.859 6.057 ( 0.000 1.066 0.000) 1.066 6.150 ( 0.000 1.099 0.000) 1.099 6.246 ( -0.000 -1.599 -0.000) 1.599 6.537 ( 0.000 6.292 0.000) 6.292 6.661 ( 0.000 4.112 0.000) 4.112 6.869 ( -0.000 -3.478 -0.000) 3.478 7.038 ( -0.000 -0.466 -0.000) 0.466 7.205 ( 0.000 0.057 0.000) 0.057 7.715 ( -0.000 -3.572 -0.000) 3.572 7.810 ( 0.000 0.783 0.000) 0.783 8.531 ( 0.000 0.391 0.000) 0.391 8.672 ( 0.000 3.076 0.000) 3.076 9.020 ( -0.000 -0.297 -0.000) 0.297 9.190 ( -0.000 -7.411 -0.000) 7.411 9.785 ( 0.000 5.616 0.000) 5.616 10.036 ( -0.000 -5.100 -0.000) 5.100 10.071 ( 0.000 11.898 0.000) 11.898 10.410 ( -0.000 -3.316 -0.000) 3.316 10.643 ( 0.000 0.387 0.000) 0.387 11.003 ( -0.000 -6.236 -0.000) 6.236 11.353 ( 0.000 5.801 0.000) 5.801 12.110 ( 0.000 7.639 0.000) 7.639 12.194 ( -0.000 -1.484 -0.000) 1.484 12.518 ( 0.000 2.587 0.000) 2.587 13.514 ( 0.000 4.248 0.000) 4.248 13.670 ( -0.000 -5.490 -0.000) 5.490 ======================= Grid point 125 (37/138) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 7.297 0.000 18.270) 19.674 0.408 ( 1.823 0.000 20.212) 20.294 0.606 ( -6.271 -0.000 29.772) 30.425 1.016 ( -3.143 -0.000 -8.053) 8.644 1.048 ( -7.893 -0.000 -14.745) 16.724 1.425 ( 6.351 0.000 -9.843) 11.714 1.430 ( -10.390 -0.000 5.151) 11.597 1.465 ( 12.150 0.000 -0.865) 12.181 1.743 ( -4.034 -0.000 6.699) 7.820 1.759 ( 4.950 0.000 4.451) 6.656 1.949 ( -1.154 -0.000 2.379) 2.644 1.998 ( -3.783 -0.000 3.345) 5.050 2.154 ( -17.177 -0.000 -0.655) 17.189 2.307 ( -1.137 -0.000 4.992) 5.120 2.315 ( -8.612 -0.000 -8.661) 12.214 2.385 ( -1.076 -0.000 -9.055) 9.118 2.548 ( 3.515 0.000 -9.862) 10.469 2.680 ( 2.025 0.000 -9.269) 9.487 2.690 ( -1.363 -0.000 -1.639) 2.132 2.865 ( -2.479 -0.000 1.415) 2.854 2.978 ( 1.035 0.000 2.939) 3.116 3.127 ( 4.136 0.000 2.663) 4.919 3.165 ( -2.649 -0.000 -2.091) 3.375 3.167 ( -0.871 -0.000 -1.449) 1.691 3.222 ( 2.214 0.000 8.981) 9.250 3.447 ( -5.325 -0.000 11.413) 12.594 3.548 ( 9.388 0.000 -7.711) 12.149 3.738 ( 0.857 0.000 4.337) 4.421 3.789 ( -0.959 -0.000 3.478) 3.607 3.867 ( 6.021 0.000 -5.584) 8.212 4.053 ( -0.508 -0.000 1.272) 1.370 4.133 ( -7.728 -0.000 -4.503) 8.944 4.522 ( -27.945 -0.000 2.111) 28.024 4.559 ( -0.020 -0.000 -1.800) 1.800 4.612 ( 2.937 0.000 -2.161) 3.647 4.647 ( 7.701 0.000 -4.016) 8.686 4.780 ( -2.411 -0.000 3.642) 4.368 4.849 ( 1.525 0.000 6.571) 6.746 5.057 ( 1.531 0.000 -6.416) 6.596 5.122 ( -3.064 -0.000 -2.587) 4.010 5.319 ( 1.784 0.000 4.921) 5.234 5.516 ( -2.929 -0.000 -3.744) 4.754 5.711 ( -3.059 -0.000 0.640) 3.126 5.778 ( 3.517 0.000 -1.496) 3.822 5.779 ( -1.990 -0.000 0.924) 2.194 5.917 ( -0.543 -0.000 -3.968) 4.005 6.052 ( 4.653 0.000 3.272) 5.688 6.091 ( -4.089 -0.000 2.240) 4.662 6.205 ( 5.923 0.000 3.145) 6.706 6.303 ( -0.726 -0.000 -1.999) 2.126 6.987 ( 4.761 0.000 0.079) 4.761 7.065 ( -8.311 -0.000 -3.651) 9.078 7.299 ( 8.269 0.000 4.697) 9.510 7.402 ( -20.107 -0.000 0.204) 20.108 7.658 ( 0.499 0.000 -0.465) 0.682 7.686 ( -0.080 -0.000 -1.313) 1.315 8.335 ( -11.530 -0.000 1.755) 11.662 8.473 ( 33.245 0.000 -4.295) 33.521 8.985 ( 7.520 0.000 2.752) 8.007 9.067 ( -9.210 -0.000 -0.130) 9.211 9.700 ( -3.120 -0.000 5.024) 5.914 9.974 ( 3.025 0.000 -6.511) 7.180 10.557 ( -0.953 -0.000 0.926) 1.329 10.595 ( 0.851 0.000 -0.709) 1.108 11.255 ( -0.490 -0.000 4.130) 4.159 11.366 ( 12.606 0.000 -0.687) 12.625 11.795 ( 4.427 0.000 0.208) 4.432 11.851 ( -45.021 -0.000 -2.904) 45.114 12.033 ( -36.516 -0.000 6.332) 37.061 12.292 ( 9.963 0.000 -5.192) 11.234 13.580 ( -8.345 -0.000 2.269) 8.648 13.677 ( 52.216 0.000 -1.810) 52.247 ======================= Grid point 126 (38/138) ======================= q-point: ( 0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 5.772 -4.623 13.656) 15.530 0.571 ( 2.315 -9.125 14.031) 16.897 0.822 ( 4.712 -12.406 21.371) 25.157 0.891 ( -3.041 2.465 -10.357) 11.072 1.055 ( -3.769 -4.928 -10.720) 12.386 1.355 ( -3.249 1.944 1.427) 4.046 1.457 ( 5.601 -1.060 -7.636) 9.529 1.523 ( 7.351 1.863 -0.132) 7.585 1.753 ( -1.588 0.481 7.803) 7.977 1.787 ( 0.659 -0.245 2.506) 2.602 1.963 ( -10.097 -4.659 3.753) 11.736 2.056 ( 8.694 -3.147 -0.391) 9.254 2.103 ( 3.326 0.483 -0.780) 3.450 2.257 ( -10.190 -3.271 -13.950) 17.583 2.309 ( 0.387 3.079 -2.634) 4.071 2.386 ( 7.242 -3.691 5.381) 9.748 2.584 ( 1.042 -2.634 -3.588) 4.571 2.671 ( -1.795 -0.372 -0.065) 1.834 2.696 ( -0.359 -1.692 -9.154) 9.316 2.828 ( -5.828 0.537 1.836) 6.134 2.993 ( 0.091 -0.159 2.473) 2.480 3.111 ( -6.446 0.328 -0.004) 6.454 3.140 ( 1.265 1.864 -0.021) 2.253 3.197 ( 0.859 -1.804 -2.025) 2.845 3.273 ( 5.648 1.193 6.412) 8.628 3.447 ( -3.560 -0.981 10.565) 11.192 3.570 ( 9.129 2.255 -8.769) 12.857 3.709 ( -0.542 3.759 4.703) 6.045 3.762 ( -1.539 3.977 2.567) 4.978 3.836 ( -2.739 -0.571 -1.339) 3.102 4.049 ( -3.056 1.161 -0.262) 3.279 4.123 ( 4.176 -2.083 -2.846) 5.466 4.349 ( -8.085 1.802 7.004) 10.848 4.484 ( -6.054 3.940 -2.217) 7.556 4.606 ( 4.339 3.092 -0.217) 5.332 4.657 ( 4.660 2.364 -6.507) 8.345 4.835 ( 2.973 -3.714 6.412) 7.984 4.932 ( -3.604 -3.831 -0.129) 5.262 5.004 ( 0.230 3.256 -1.389) 3.547 5.122 ( -1.572 -0.525 -6.746) 6.947 5.330 ( -0.928 0.368 5.403) 5.495 5.486 ( -2.704 0.602 -4.569) 5.343 5.638 ( -5.381 5.753 -1.016) 7.943 5.682 ( 1.604 2.718 1.716) 3.592 5.803 ( -2.071 -0.592 0.840) 2.312 5.890 ( 1.511 0.194 0.031) 1.524 6.007 ( -0.003 1.953 0.187) 1.961 6.120 ( 3.460 1.659 -1.580) 4.150 6.271 ( -2.101 -2.626 0.536) 3.405 6.332 ( 3.949 -1.799 0.700) 4.395 6.822 ( 0.468 10.791 12.772) 16.727 7.046 ( -1.371 1.075 -4.343) 4.679 7.091 ( -5.699 3.005 11.198) 12.919 7.488 ( -3.130 0.772 -7.877) 8.511 7.688 ( -5.560 -2.503 0.695) 6.137 7.760 ( -0.809 -8.713 -3.383) 9.382 8.257 ( -3.340 2.121 -1.107) 4.108 8.617 ( 26.642 7.798 -4.896) 28.188 8.976 ( -6.898 2.445 -2.512) 7.737 9.061 ( 7.244 -0.814 1.712) 7.488 9.689 ( -4.778 -0.864 5.935) 7.668 9.986 ( 2.583 -0.593 -5.406) 6.021 10.266 ( -8.070 29.824 32.434) 44.795 10.583 ( 1.474 2.030 0.252) 2.522 10.667 ( -3.176 0.677 5.688) 6.550 11.263 ( 4.465 16.264 -12.081) 20.747 11.639 ( -12.124 3.007 2.808) 12.803 11.822 ( 2.943 0.618 -1.356) 3.299 12.319 ( -14.258 -17.222 -0.686) 22.368 12.600 ( 13.637 -11.258 -0.044) 17.684 13.479 ( -14.192 2.251 1.886) 14.493 14.042 ( 8.724 -7.944 -18.433) 21.886 ======================= Grid point 127 (39/138) ======================= q-point: ( 0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 3.359 -11.132 3.962) 12.284 0.737 ( 0.273 -6.034 -0.029) 6.041 0.926 ( 5.482 -7.996 3.125) 10.186 1.100 ( -1.825 -5.472 -7.204) 9.228 1.156 ( 6.461 -11.232 11.711) 17.466 1.302 ( -1.422 2.360 0.200) 2.762 1.494 ( 0.454 -0.710 0.624) 1.049 1.527 ( 3.705 1.209 -2.378) 4.566 1.734 ( 0.953 1.380 3.899) 4.244 1.804 ( -0.637 -1.727 -1.478) 2.360 1.959 ( -10.221 -1.883 -5.971) 11.986 2.082 ( 2.998 4.509 -2.278) 5.874 2.138 ( 3.869 -0.090 -4.590) 6.004 2.255 ( 4.610 -4.298 -8.699) 10.742 2.353 ( -5.293 -6.725 6.671) 10.851 2.537 ( 7.464 -4.888 4.075) 9.809 2.624 ( -2.773 -0.484 6.316) 6.915 2.669 ( -4.113 -2.566 -4.067) 6.328 2.703 ( 0.447 -1.467 -4.350) 4.613 2.781 ( -5.546 -0.230 0.398) 5.565 2.968 ( -4.030 2.616 2.948) 5.637 3.064 ( -2.589 0.794 -3.855) 4.711 3.126 ( 4.446 1.206 4.130) 6.187 3.203 ( 0.373 1.384 -0.608) 1.557 3.280 ( 3.511 1.835 0.128) 3.963 3.453 ( -3.106 0.563 6.663) 7.373 3.567 ( 3.594 3.111 -3.883) 6.138 3.644 ( -0.678 3.718 3.313) 5.026 3.689 ( 0.338 1.178 1.307) 1.791 3.850 ( -0.485 -1.918 -2.201) 2.959 4.011 ( -1.350 1.297 -0.961) 2.104 4.168 ( 1.301 -1.091 -0.988) 1.964 4.320 ( -0.123 1.162 1.381) 1.809 4.360 ( -6.018 3.444 -1.691) 7.137 4.551 ( 1.774 4.054 -0.898) 4.515 4.652 ( 6.707 2.139 -0.770) 7.082 4.878 ( -4.098 0.513 1.833) 4.519 4.957 ( -1.801 -0.890 0.535) 2.079 4.984 ( 2.123 -1.184 2.429) 3.437 5.069 ( -1.088 2.576 -3.958) 4.846 5.322 ( -4.364 -1.034 -0.160) 4.488 5.428 ( -2.433 1.063 -0.600) 2.722 5.575 ( -2.726 -1.070 -3.821) 4.814 5.665 ( 4.361 1.266 0.164) 4.544 5.801 ( -4.598 -1.685 -0.632) 4.938 5.924 ( 2.406 -0.806 2.100) 3.294 5.981 ( 1.060 1.257 0.178) 1.654 6.092 ( 1.601 2.110 -4.201) 4.967 6.285 ( -0.923 -0.023 0.637) 1.122 6.361 ( 1.930 1.319 0.178) 2.345 6.710 ( -1.825 5.410 13.508) 14.665 7.000 ( 0.357 1.909 0.038) 1.942 7.070 ( -1.548 -0.054 2.085) 2.598 7.367 ( -7.653 4.585 -7.328) 11.545 7.708 ( -4.507 -2.943 2.483) 5.928 7.873 ( -0.369 -5.008 -4.845) 6.978 8.228 ( 7.082 2.166 -1.199) 7.503 8.606 ( 13.142 7.078 1.043) 14.963 8.855 ( -5.278 5.021 -3.419) 8.047 9.118 ( 7.297 0.609 -0.146) 7.324 9.688 ( -4.629 -0.585 8.736) 9.904 9.948 ( -3.030 10.210 22.237) 24.656 10.017 ( 3.359 -1.720 -5.228) 6.448 10.528 ( 1.171 5.236 -5.085) 7.392 10.705 ( -0.240 -3.198 1.287) 3.456 10.983 ( 3.675 11.524 -12.767) 17.587 11.562 ( -5.715 0.279 8.154) 9.962 11.807 ( 1.188 1.868 -2.753) 3.533 12.366 ( -8.712 0.036 0.656) 8.737 12.806 ( 13.972 2.813 -4.023) 14.809 13.355 ( -15.722 -1.419 11.539) 19.553 14.060 ( -3.508 1.239 -14.060) 14.543 ======================= Grid point 128 (40/138) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 0.167 -10.989 2.176) 11.204 0.943 ( 5.739 -11.360 1.819) 12.857 1.109 ( 5.719 -3.674 -4.393) 8.094 1.157 ( -3.402 -4.886 -3.288) 6.801 1.255 ( 1.867 1.383 2.004) 3.068 1.382 ( 3.200 -5.027 8.651) 10.505 1.466 ( -7.560 1.437 1.968) 7.943 1.548 ( 8.224 -0.577 -0.426) 8.256 1.775 ( 5.797 -1.993 3.723) 7.172 1.822 ( -2.018 -0.917 -10.598) 10.828 1.890 ( -8.145 -2.031 -6.752) 10.773 2.015 ( 1.719 3.161 2.583) 4.429 2.144 ( -1.105 0.517 -0.751) 1.433 2.336 ( 5.763 -2.096 -7.862) 9.971 2.427 ( -6.876 -1.498 2.539) 7.482 2.595 ( -3.962 -1.746 6.955) 8.193 2.670 ( -1.745 -3.108 0.130) 3.567 2.679 ( 2.928 0.835 2.283) 3.805 2.726 ( -5.260 -4.506 1.943) 7.193 2.798 ( 1.023 -2.916 -2.108) 3.741 2.858 ( -6.381 5.328 3.448) 9.000 3.031 ( 0.949 0.959 -4.420) 4.622 3.160 ( 1.342 1.589 -0.780) 2.221 3.190 ( 6.285 -1.091 3.564) 7.307 3.264 ( 1.584 1.350 -3.321) 3.919 3.428 ( -1.556 1.191 2.936) 3.530 3.462 ( -4.731 5.470 0.539) 7.252 3.588 ( 1.559 3.343 3.611) 5.162 3.742 ( 2.234 -3.500 2.181) 4.690 3.875 ( 2.360 -0.704 -4.606) 5.223 3.969 ( -3.113 1.364 -1.158) 3.591 4.183 ( -1.161 -0.614 -0.664) 1.472 4.274 ( -3.457 0.784 -0.144) 3.548 4.282 ( 2.593 4.223 -2.014) 5.349 4.484 ( 2.685 5.497 0.252) 6.123 4.664 ( 5.093 1.029 2.556) 5.791 4.854 ( -2.908 -0.120 3.111) 4.260 4.940 ( -2.049 -0.221 -0.010) 2.061 4.966 ( -3.763 1.509 -1.965) 4.506 5.106 ( 5.667 -3.480 -1.197) 6.757 5.331 ( -5.548 -4.786 -4.081) 8.387 5.416 ( -4.717 -1.077 4.641) 6.705 5.561 ( 0.398 0.710 -4.811) 4.880 5.703 ( 5.930 -0.816 -0.345) 5.996 5.791 ( -4.570 -1.266 -2.228) 5.239 5.907 ( -0.930 4.308 3.587) 5.683 5.982 ( 2.755 1.160 1.120) 3.192 6.067 ( 0.058 -0.509 -4.749) 4.777 6.264 ( -1.048 1.593 -0.199) 1.917 6.335 ( 0.400 1.576 0.719) 1.778 6.639 ( -2.860 3.587 11.175) 12.080 6.963 ( -0.725 2.726 2.029) 3.475 7.076 ( 3.328 0.456 -1.255) 3.585 7.228 ( -7.991 1.517 -5.590) 9.870 7.731 ( -3.553 -1.993 1.041) 4.204 7.933 ( 0.537 -2.825 -3.130) 4.250 8.247 ( 9.992 2.720 -3.232) 10.848 8.568 ( 5.738 4.610 3.348) 8.086 8.712 ( -3.214 6.131 -1.130) 7.014 9.149 ( 4.878 0.305 -1.163) 5.024 9.679 ( -2.487 0.946 10.125) 10.469 9.852 ( -3.319 3.225 11.697) 12.579 10.073 ( 5.689 -1.568 -4.186) 7.235 10.401 ( 1.698 6.127 -12.520) 14.042 10.764 ( 1.170 -2.267 -0.006) 2.551 10.837 ( 3.039 5.753 -3.535) 7.405 11.562 ( -5.311 -1.993 5.485) 7.891 11.781 ( 2.146 1.183 0.733) 2.558 12.268 ( -5.191 4.329 1.784) 6.991 12.658 ( 2.438 14.498 -9.869) 17.707 13.384 ( -7.185 -4.611 15.779) 17.941 13.951 ( -4.528 2.871 -10.971) 12.211 ======================= Grid point 129 (41/138) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -3.841 -2.495 0.390) 4.597 1.134 ( 1.359 -1.924 -7.943) 8.285 1.167 ( 1.578 -5.200 0.472) 5.454 1.248 ( 3.311 -8.957 6.963) 11.818 1.260 ( 3.132 2.849 -1.225) 4.407 1.372 ( -2.933 3.402 -0.870) 4.575 1.483 ( 1.142 -3.847 5.377) 6.710 1.653 ( 8.890 -2.628 0.828) 9.307 1.723 ( -9.260 2.505 -7.968) 12.471 1.867 ( 1.855 -2.589 2.786) 4.232 1.927 ( 2.934 -3.544 -4.936) 6.748 2.024 ( 3.966 -0.558 8.010) 8.955 2.106 ( -3.181 0.762 -1.294) 3.518 2.312 ( -6.325 3.338 -6.105) 9.403 2.405 ( 3.423 0.665 0.816) 3.581 2.604 ( -5.111 2.725 2.515) 6.314 2.640 ( -1.843 -1.807 4.735) 5.392 2.723 ( -3.769 3.703 -3.039) 6.095 2.745 ( -1.798 -2.713 -2.265) 3.965 2.784 ( -1.246 -3.429 3.737) 5.222 2.862 ( -0.454 -3.007 3.267) 4.463 3.008 ( 3.248 2.748 -2.898) 5.148 3.160 ( 0.356 -1.802 -1.958) 2.685 3.244 ( 1.060 0.530 -2.052) 2.370 3.278 ( 6.538 -0.956 3.102) 7.299 3.321 ( -6.499 3.608 -3.963) 8.424 3.413 ( -1.271 1.189 2.960) 3.433 3.566 ( 0.460 0.555 4.031) 4.095 3.812 ( -0.574 -1.476 0.072) 1.585 3.894 ( 6.596 1.513 -1.474) 6.926 3.919 ( -5.275 -0.980 -0.572) 5.396 4.157 ( -1.398 2.059 -0.341) 2.512 4.237 ( 4.093 2.287 -1.775) 5.014 4.281 ( -0.034 -2.472 0.661) 2.559 4.390 ( 3.729 6.172 -0.275) 7.216 4.692 ( 1.126 0.130 2.652) 2.884 4.825 ( -0.703 2.668 2.209) 3.534 4.917 ( -3.146 0.296 -1.994) 3.737 4.948 ( -1.337 -1.671 -0.478) 2.193 5.215 ( 4.423 -4.452 -5.214) 8.159 5.370 ( -3.514 -1.173 2.954) 4.738 5.422 ( -6.580 -4.818 0.869) 8.202 5.537 ( 2.018 1.754 -4.093) 4.888 5.743 ( 2.606 1.535 3.815) 4.869 5.787 ( -3.115 -0.726 -1.102) 3.383 5.832 ( 0.009 0.520 1.018) 1.143 5.939 ( 0.528 4.242 -0.110) 4.276 6.092 ( 0.782 -2.084 -2.145) 3.091 6.220 ( -1.785 1.518 -0.792) 2.473 6.328 ( -0.241 -0.479 1.013) 1.146 6.588 ( -1.916 2.666 8.248) 8.877 6.903 ( -2.280 2.569 1.447) 3.727 7.055 ( 3.332 4.455 0.648) 5.601 7.207 ( -2.843 -4.127 -5.744) 7.623 7.734 ( -2.536 -0.785 -0.983) 2.831 7.977 ( 1.017 -1.716 -0.943) 2.206 8.237 ( 7.390 3.972 -4.348) 9.450 8.538 ( -5.600 -0.049 3.160) 6.430 8.596 ( 5.938 6.554 0.475) 8.857 9.174 ( 3.180 -0.201 -1.872) 3.695 9.676 ( -1.067 0.291 9.518) 9.582 9.804 ( -3.907 2.057 8.695) 9.752 10.126 ( 5.479 -1.080 -6.422) 8.510 10.301 ( 2.534 3.095 -12.425) 13.053 10.752 ( 1.049 2.982 -1.160) 3.367 10.822 ( 3.270 -0.463 2.621) 4.216 11.543 ( -6.902 0.285 -4.885) 8.461 11.822 ( 4.494 -1.473 8.221) 9.484 12.169 ( -4.152 2.355 0.763) 4.834 12.370 ( 0.645 13.902 -4.605) 14.659 13.417 ( -8.123 -1.278 6.483) 10.471 13.883 ( 0.514 0.358 -4.334) 4.379 ======================= Grid point 130 (42/138) ======================= q-point: ( 0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -1.874 1.474 -3.465) 4.206 1.108 ( -1.786 1.826 -1.672) 3.053 1.187 ( -1.229 2.930 -0.968) 3.321 1.250 ( -1.749 -0.995 -0.769) 2.154 1.328 ( 2.426 0.012 -2.740) 3.660 1.453 ( 2.524 -6.741 6.695) 9.830 1.559 ( -4.612 2.544 -6.510) 8.374 1.604 ( 3.640 -2.101 2.148) 4.720 1.743 ( 0.549 -1.636 3.677) 4.062 1.912 ( -0.753 -2.119 1.478) 2.691 2.014 ( 3.182 -2.317 0.077) 3.937 2.074 ( -0.503 0.594 -2.396) 2.519 2.103 ( 3.285 -1.045 6.684) 7.521 2.214 ( -0.369 0.830 -2.631) 2.783 2.363 ( 0.150 4.883 3.929) 6.269 2.547 ( 0.078 1.661 0.990) 1.935 2.651 ( -0.610 2.281 -4.703) 5.262 2.664 ( -0.715 -1.422 -0.523) 1.676 2.742 ( -7.449 -1.749 -3.662) 8.483 2.837 ( 0.545 -0.366 3.763) 3.820 2.920 ( -0.429 -3.019 5.467) 6.260 2.986 ( 3.615 0.133 -2.208) 4.238 3.182 ( 0.651 1.566 -1.824) 2.491 3.232 ( -1.391 0.482 -1.878) 2.386 3.250 ( -3.002 -2.548 -1.340) 4.159 3.327 ( 1.604 0.182 1.454) 2.173 3.372 ( -2.561 1.912 -2.467) 4.038 3.599 ( 0.812 -2.741 2.098) 3.545 3.774 ( -1.096 3.188 0.230) 3.379 3.875 ( 3.846 2.612 -1.192) 4.800 3.963 ( -4.386 -3.897 2.568) 6.405 4.129 ( 1.529 0.122 -1.182) 1.936 4.198 ( 4.033 5.068 -2.337) 6.886 4.351 ( -0.297 -2.295 2.019) 3.071 4.367 ( 6.856 -1.526 2.662) 7.512 4.640 ( -2.773 3.751 -2.272) 5.189 4.789 ( -1.564 1.664 -1.124) 2.545 4.888 ( -3.529 -0.905 -0.948) 3.765 4.985 ( 2.195 -1.493 0.477) 2.697 5.240 ( -1.008 3.019 1.243) 3.417 5.391 ( 2.286 -1.484 1.314) 3.025 5.470 ( -6.953 -3.969 -1.547) 8.154 5.522 ( 3.775 0.261 -2.609) 4.596 5.706 ( -2.115 2.011 5.143) 5.914 5.783 ( -0.100 -0.572 0.189) 0.611 5.844 ( -0.237 0.422 -1.039) 1.146 5.928 ( 1.932 -3.625 -0.242) 4.115 6.127 ( 1.174 -1.116 -0.749) 1.785 6.175 ( -1.684 2.339 1.090) 3.081 6.355 ( -0.243 -2.300 -0.651) 2.403 6.542 ( -1.365 2.854 6.698) 7.408 6.854 ( -2.346 1.049 0.452) 2.609 6.993 ( 2.236 3.744 0.300) 4.371 7.259 ( -0.338 -3.237 -5.173) 6.112 7.725 ( -0.995 0.076 -1.516) 1.815 7.997 ( 0.977 0.414 -0.171) 1.075 8.214 ( 4.246 1.419 -3.356) 5.595 8.490 ( -7.611 -0.491 2.000) 7.884 8.570 ( 6.348 2.497 0.558) 6.845 9.188 ( 1.063 0.021 -1.860) 2.143 9.692 ( -1.715 -0.124 9.406) 9.562 9.765 ( -3.197 0.929 7.883) 8.557 10.175 ( 4.976 -2.498 -8.958) 10.547 10.246 ( 1.746 2.415 -9.558) 10.011 10.725 ( 0.087 0.259 1.073) 1.107 10.869 ( 4.208 -1.199 3.614) 5.675 11.423 ( -8.777 4.210 -11.720) 15.235 11.874 ( 5.213 2.200 3.915) 6.881 12.144 ( -2.648 1.748 3.271) 4.558 12.214 ( 4.043 -0.228 3.115) 5.109 13.355 ( -10.808 0.477 -1.338) 10.901 13.911 ( 4.991 -0.797 1.177) 5.190 ======================= Grid point 131 (43/138) ======================= q-point: (-0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( 0.663 1.777 -4.623) 4.997 1.051 ( -2.679 2.087 1.915) 3.899 1.131 ( -1.411 2.529 -2.536) 3.849 1.260 ( 2.570 -1.427 0.219) 2.948 1.348 ( -2.584 -2.062 -0.898) 3.426 1.425 ( -3.994 4.524 -4.155) 7.327 1.562 ( 3.170 -1.772 0.491) 3.664 1.663 ( -4.022 0.526 8.101) 9.060 1.796 ( 2.411 -3.739 0.744) 4.510 1.917 ( -2.267 2.609 -3.651) 5.027 1.958 ( -3.703 4.321 0.781) 5.744 2.067 ( -0.714 -0.388 0.233) 0.845 2.165 ( 7.439 -1.321 0.891) 7.608 2.292 ( 6.280 -3.024 3.400) 7.755 2.324 ( 2.372 0.512 3.285) 4.084 2.523 ( 2.546 3.402 3.019) 5.212 2.588 ( 2.813 2.051 -3.718) 5.093 2.672 ( -3.934 -0.450 -4.031) 5.651 2.719 ( -4.237 -2.341 -0.890) 4.922 2.830 ( 0.241 0.678 1.544) 1.704 3.007 ( 1.009 -3.067 4.192) 5.291 3.036 ( 2.152 -3.083 -2.023) 4.269 3.128 ( 0.414 2.824 -2.110) 3.550 3.227 ( -2.056 -1.090 -1.823) 2.956 3.264 ( -7.536 2.401 -0.725) 7.942 3.298 ( -1.046 -3.273 -0.116) 3.438 3.341 ( 0.702 0.534 -0.495) 1.011 3.634 ( 0.583 1.289 3.131) 3.435 3.742 ( 3.234 1.186 -1.856) 3.912 3.866 ( 3.891 -0.097 -0.180) 3.897 3.988 ( -6.687 -1.943 3.323) 7.716 4.130 ( 4.444 2.579 -2.012) 5.519 4.167 ( 1.516 -1.898 -2.898) 3.781 4.363 ( -2.107 0.809 1.414) 2.664 4.462 ( 4.487 -1.161 6.870) 8.287 4.581 ( -0.708 0.219 -3.636) 3.711 4.715 ( -6.436 0.693 -4.031) 7.626 4.907 ( 0.177 -1.817 0.036) 1.826 5.024 ( 2.593 -1.095 -0.286) 2.829 5.163 ( 1.210 4.459 2.342) 5.179 5.413 ( -0.907 1.062 1.678) 2.183 5.458 ( -3.526 -1.220 -2.691) 4.600 5.543 ( 4.091 1.477 -2.195) 4.872 5.692 ( -1.148 0.191 4.231) 4.388 5.797 ( -0.268 -2.715 0.287) 2.743 5.886 ( -0.146 -3.935 -0.805) 4.019 6.008 ( 2.175 -2.212 -0.829) 3.211 6.118 ( -1.397 2.291 1.086) 2.895 6.145 ( 1.411 0.265 -0.026) 1.436 6.371 ( 0.578 1.490 -0.546) 1.689 6.517 ( -2.141 -0.632 7.375) 7.705 6.844 ( -0.701 -1.804 -0.508) 2.001 6.970 ( 0.818 0.056 0.202) 0.844 7.290 ( 1.378 -1.181 -4.382) 4.743 7.706 ( 0.675 1.503 -1.856) 2.482 7.983 ( 0.094 1.130 -0.077) 1.136 8.228 ( 1.441 -1.109 -3.252) 3.726 8.487 ( -2.180 -2.733 1.716) 3.894 8.569 ( -0.539 0.236 0.873) 1.053 9.176 ( -1.687 0.647 -1.618) 2.425 9.677 ( -3.562 1.212 7.295) 8.208 9.775 ( -2.168 -1.204 9.212) 9.540 10.180 ( 0.025 2.805 -7.872) 8.357 10.259 ( 4.840 -4.594 -9.844) 11.893 10.741 ( -1.427 -1.928 0.786) 2.524 10.955 ( 5.521 -3.129 7.106) 9.527 11.242 ( -8.565 4.441 -12.811) 16.038 11.873 ( 5.526 1.669 1.536) 5.974 12.087 ( 1.540 2.693 3.231) 4.479 12.388 ( 4.056 -10.676 3.396) 11.915 13.258 ( -10.422 1.142 -1.419) 10.580 13.966 ( 6.248 -0.257 0.997) 6.332 ======================= Grid point 132 (44/138) ======================= q-point: (-0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 2.208 1.581 -1.222) 2.978 1.010 ( -3.630 0.233 -0.587) 3.684 1.053 ( 1.629 5.454 -0.101) 5.693 1.278 ( 0.216 5.149 1.312) 5.318 1.314 ( -7.066 -1.730 -0.329) 7.282 1.384 ( 0.431 0.939 -0.330) 1.084 1.561 ( -0.384 1.699 0.798) 1.916 1.621 ( -4.958 1.934 4.672) 7.081 1.777 ( -2.769 6.004 -5.209) 8.418 1.844 ( -0.331 1.372 -0.183) 1.424 1.907 ( 1.752 -0.678 -2.818) 3.387 2.094 ( 1.838 -1.692 1.443) 2.885 2.206 ( 3.224 1.729 -5.864) 6.912 2.346 ( 6.844 3.067 10.107) 12.586 2.372 ( 1.919 -2.814 -2.358) 4.143 2.527 ( 6.395 -1.156 4.667) 8.001 2.611 ( -0.306 0.031 1.851) 1.876 2.639 ( 0.136 -0.562 -3.504) 3.552 2.737 ( -1.501 -1.349 -3.068) 3.672 2.845 ( 0.347 -2.138 2.747) 3.499 3.010 ( 2.134 2.821 -5.115) 6.219 3.053 ( -1.746 3.132 1.137) 3.762 3.097 ( -2.928 1.411 1.435) 3.553 3.204 ( -2.809 -3.562 0.167) 4.539 3.246 ( -1.569 -2.619 -1.762) 3.525 3.346 ( 0.358 -1.384 -1.088) 1.797 3.369 ( -2.254 -4.345 3.958) 6.294 3.618 ( -0.145 1.187 5.196) 5.331 3.710 ( 5.236 4.076 -4.840) 8.213 3.929 ( -0.111 -0.044 2.256) 2.259 3.948 ( -1.611 -1.128 -0.939) 2.179 4.168 ( 4.872 -2.725 -1.809) 5.868 4.205 ( 0.729 -1.002 -0.977) 1.578 4.337 ( -4.368 -1.889 1.242) 4.919 4.480 ( 0.588 2.155 -1.084) 2.483 4.547 ( -4.241 0.207 1.152) 4.400 4.724 ( -2.139 -4.474 1.208) 5.104 4.927 ( 0.626 -0.038 -1.291) 1.435 5.071 ( 6.142 0.648 1.876) 6.455 5.138 ( 1.259 -1.566 -3.565) 4.092 5.353 ( -3.354 2.781 4.241) 6.080 5.476 ( 1.313 -1.661 -5.137) 5.557 5.518 ( 3.306 2.870 -1.421) 4.603 5.693 ( -0.374 -0.553 2.682) 2.764 5.859 ( -2.153 -2.837 0.469) 3.592 5.921 ( -0.434 1.735 1.825) 2.556 6.033 ( 1.657 -1.430 -4.929) 5.394 6.094 ( 0.401 -0.180 -0.014) 0.440 6.135 ( 0.830 1.529 -1.304) 2.174 6.337 ( 0.402 1.466 3.136) 3.486 6.551 ( -2.437 -1.830 8.302) 8.844 6.914 ( 0.741 -5.177 -1.165) 5.358 6.991 ( -1.056 -1.948 1.098) 2.472 7.321 ( 5.422 -1.130 -3.727) 6.675 7.670 ( 2.016 2.781 -1.606) 3.792 7.963 ( -0.675 0.701 -0.786) 1.251 8.249 ( -1.159 -1.868 -3.987) 4.553 8.529 ( -11.972 -3.448 1.169) 12.513 8.590 ( 7.130 -2.551 2.382) 7.939 9.138 ( -3.269 0.799 -1.290) 3.604 9.655 ( -2.731 0.192 6.649) 7.190 9.796 ( -4.543 -1.143 9.906) 10.958 10.108 ( -0.683 2.525 -7.310) 7.763 10.364 ( 4.082 -5.474 -9.767) 11.917 10.762 ( -2.644 -1.547 -0.357) 3.084 11.071 ( 1.155 -1.637 -4.464) 4.893 11.124 ( -1.232 -1.301 4.598) 4.935 11.896 ( 2.912 0.446 3.106) 4.281 12.112 ( 5.062 -3.209 0.369) 6.005 12.626 ( 3.547 -10.987 -4.873) 12.532 13.175 ( -6.667 0.811 6.457) 9.317 14.011 ( 6.765 0.275 -2.484) 7.212 ======================= Grid point 133 (45/138) ======================= q-point: (-0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 1.159 7.048 1.514) 7.301 0.963 ( 1.811 5.867 5.292) 8.106 0.997 ( -3.197 -1.351 -4.298) 5.525 1.171 ( -3.518 9.491 1.467) 10.228 1.186 ( -3.843 6.795 -0.278) 7.811 1.328 ( -4.674 1.206 1.135) 4.959 1.516 ( -6.365 2.654 3.808) 7.878 1.553 ( 1.915 3.101 -1.217) 3.842 1.713 ( 2.885 -0.090 -0.512) 2.932 1.830 ( -0.946 1.248 -7.098) 7.269 1.909 ( 4.871 -0.215 -4.810) 6.849 2.153 ( -0.619 -2.195 -0.053) 2.281 2.177 ( 4.127 1.017 -4.103) 5.908 2.335 ( 4.370 4.778 11.146) 12.890 2.432 ( 0.601 -2.167 -1.519) 2.714 2.547 ( -7.123 0.956 -0.889) 7.242 2.628 ( 4.855 0.241 2.444) 5.441 2.657 ( 1.985 -0.568 -3.288) 3.883 2.741 ( 5.618 0.562 -0.796) 5.702 2.920 ( -1.426 -3.176 3.780) 5.139 2.943 ( -1.322 1.214 -7.012) 7.238 2.985 ( 4.229 4.544 2.610) 6.733 3.036 ( -4.382 1.461 4.340) 6.338 3.272 ( -3.957 -2.840 -1.826) 5.202 3.303 ( 2.806 -3.909 4.429) 6.541 3.378 ( -2.463 -2.700 -3.490) 5.053 3.427 ( -4.235 -3.146 3.672) 6.428 3.603 ( 1.943 1.290 2.411) 3.354 3.691 ( 3.063 0.140 -2.029) 3.677 3.874 ( -2.008 1.664 -0.479) 2.652 4.012 ( 2.490 -2.087 -0.886) 3.368 4.183 ( -3.458 0.121 -1.242) 3.676 4.278 ( 7.781 -3.289 -1.712) 8.619 4.370 ( -4.727 -2.435 1.440) 5.508 4.449 ( 1.677 -1.669 -3.472) 4.201 4.545 ( -5.080 -2.416 2.739) 6.256 4.805 ( -1.134 -4.440 3.895) 6.015 4.925 ( 2.237 0.848 -2.903) 3.762 5.096 ( 3.907 0.672 2.239) 4.553 5.151 ( -0.533 0.624 -1.113) 1.383 5.329 ( 0.347 0.333 3.829) 3.860 5.498 ( 4.904 0.053 -3.522) 6.038 5.519 ( 1.035 -2.368 -6.874) 7.343 5.724 ( 2.074 -1.371 2.049) 3.221 5.820 ( -3.027 4.103 -3.997) 6.479 5.867 ( -2.856 1.664 3.616) 4.900 6.046 ( -0.605 -0.570 -5.369) 5.433 6.095 ( 1.713 2.873 0.652) 3.408 6.162 ( 0.980 -5.350 -0.196) 5.442 6.346 ( 0.442 -0.774 3.099) 3.225 6.565 ( -2.477 0.944 10.186) 10.525 7.003 ( -1.407 -4.169 -1.088) 4.533 7.025 ( -0.549 -2.289 1.496) 2.789 7.400 ( 8.084 -2.835 -5.208) 10.026 7.640 ( 4.477 2.364 1.202) 5.203 7.936 ( 0.267 1.901 -2.869) 3.452 8.272 ( -2.993 -3.696 -3.977) 6.199 8.476 ( -16.142 -2.180 3.112) 16.584 8.728 ( 8.424 -4.579 0.198) 9.590 9.111 ( -3.410 -0.811 -0.039) 3.506 9.659 ( -1.646 -0.277 7.711) 7.889 9.807 ( -7.625 -2.715 12.071) 14.533 10.053 ( 0.790 1.642 -6.429) 6.682 10.464 ( 2.501 -4.691 -8.412) 9.951 10.755 ( -2.459 0.251 0.089) 2.473 11.026 ( -2.414 -0.906 -12.819) 13.076 11.271 ( 4.044 -6.519 13.037) 15.126 11.901 ( 1.084 0.997 1.383) 2.020 12.276 ( 6.533 -8.614 1.871) 10.972 12.749 ( -2.839 -3.191 -13.995) 14.632 13.220 ( 2.434 -5.116 17.062) 17.978 14.041 ( 8.396 1.227 -8.118) 11.743 ======================= Grid point 134 (46/138) ======================= q-point: (-0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -0.781 11.559 5.641) 12.886 0.740 ( -7.440 16.404 -2.435) 18.176 0.939 ( -4.176 10.321 14.289) 18.115 0.979 ( -3.505 -1.559 -7.279) 8.228 1.182 ( 2.792 -0.782 7.698) 8.226 1.272 ( 0.056 0.914 -7.392) 7.449 1.461 ( -2.174 0.954 2.209) 3.243 1.500 ( -1.610 1.838 -1.477) 2.855 1.746 ( -0.248 3.325 -3.526) 4.852 1.761 ( 4.878 -0.111 0.515) 4.906 1.964 ( 5.724 -0.344 -5.889) 8.220 2.142 ( -1.985 -0.522 -3.310) 3.894 2.209 ( -1.855 -1.984 -1.404) 3.057 2.281 ( -1.139 3.798 8.836) 9.685 2.425 ( -6.125 3.538 1.127) 7.162 2.473 ( -1.690 -0.699 -4.710) 5.053 2.614 ( -0.738 1.814 0.110) 1.961 2.683 ( 1.257 -1.532 -5.777) 6.108 2.773 ( 6.878 2.496 -3.359) 8.051 2.890 ( 4.539 4.430 -1.039) 6.427 2.959 ( 3.463 -1.588 5.814) 6.951 2.983 ( -1.347 -1.273 1.969) 2.704 3.052 ( 0.756 -3.201 2.118) 3.912 3.266 ( -5.460 0.062 3.008) 6.234 3.319 ( -4.662 1.649 0.714) 4.996 3.426 ( -3.277 -4.358 4.987) 7.390 3.470 ( 1.636 -2.396 -4.312) 5.197 3.633 ( 1.270 -1.957 2.973) 3.779 3.714 ( -0.423 -1.836 -1.438) 2.370 3.841 ( 1.560 1.539 -2.537) 3.353 4.052 ( 1.135 -0.993 1.043) 1.834 4.161 ( -4.287 -1.197 -0.873) 4.536 4.377 ( 0.253 -1.513 1.922) 2.460 4.401 ( 6.274 -4.563 -2.417) 8.126 4.515 ( -2.892 -3.924 1.220) 5.024 4.576 ( -1.766 -4.046 -2.979) 5.326 4.861 ( -0.998 0.484 2.056) 2.336 4.922 ( 1.906 -1.183 -0.454) 2.289 5.093 ( -0.330 0.450 -1.969) 2.047 5.170 ( 1.062 -1.722 2.435) 3.166 5.323 ( 0.875 1.451 1.852) 2.510 5.517 ( 2.181 0.885 -4.031) 4.667 5.561 ( 0.368 -3.085 -7.374) 8.002 5.732 ( 0.734 1.654 -0.803) 1.980 5.786 ( 1.785 -2.887 -0.624) 3.451 5.825 ( -2.710 1.406 3.923) 4.971 6.033 ( -1.290 0.147 -3.631) 3.856 6.062 ( 0.994 1.240 -0.943) 1.848 6.267 ( 0.533 -4.263 -0.259) 4.304 6.370 ( -0.623 -0.764 0.722) 1.222 6.541 ( 0.205 2.152 14.971) 15.127 7.039 ( -2.829 -2.123 3.769) 5.169 7.081 ( 0.290 -2.851 -0.007) 2.865 7.484 ( 5.438 -2.477 -8.896) 10.716 7.667 ( 7.468 0.642 4.188) 8.587 7.875 ( 3.424 5.061 -5.210) 8.030 8.332 ( -4.420 -6.323 -5.514) 9.482 8.412 ( -16.064 -2.986 4.528) 16.955 8.850 ( 7.263 -2.451 -1.932) 7.905 9.113 ( -4.233 -1.834 1.658) 4.902 9.671 ( -0.441 -0.075 7.880) 7.892 9.875 ( -8.635 -7.806 18.270) 21.663 10.031 ( 1.255 -0.002 -2.925) 3.183 10.528 ( 1.099 -2.459 -3.888) 4.730 10.725 ( -2.096 1.403 1.535) 2.952 11.051 ( 1.891 -6.416 -15.071) 16.489 11.464 ( 2.409 -9.087 8.953) 12.982 11.880 ( 0.210 1.896 -1.146) 2.226 12.478 ( 7.049 -5.058 1.979) 8.899 12.683 ( -7.051 1.790 -4.715) 8.669 13.412 ( 5.103 -6.805 12.635) 15.231 14.032 ( 12.907 5.963 -16.213) 21.564 ======================= Grid point 135 (47/138) ======================= q-point: (-0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -5.524 12.593 5.839) 14.939 0.486 ( -0.636 10.865 14.015) 17.744 0.732 ( -7.104 11.416 24.487) 27.935 0.991 ( -4.282 -4.622 -9.998) 11.818 1.167 ( -3.392 2.516 -7.716) 8.796 1.323 ( 7.411 -3.288 1.464) 8.239 1.430 ( 0.646 0.847 -6.359) 6.447 1.480 ( -1.292 -0.020 2.014) 2.393 1.715 ( 2.783 0.385 1.424) 3.150 1.772 ( 1.413 2.125 4.552) 5.219 1.962 ( 5.545 2.706 -3.506) 7.096 2.086 ( -7.643 3.731 6.342) 10.609 2.214 ( -17.225 -6.691 -4.139) 18.937 2.306 ( 2.224 -4.348 -2.425) 5.453 2.325 ( -3.057 1.826 2.018) 4.093 2.447 ( -5.546 0.416 -9.912) 11.366 2.575 ( 0.624 1.610 -4.104) 4.453 2.693 ( -0.319 -0.392 -4.457) 4.486 2.729 ( 1.328 2.831 -7.890) 8.488 2.860 ( 2.289 1.381 1.984) 3.329 2.970 ( 0.752 0.357 0.996) 1.299 3.091 ( 8.670 -1.129 4.683) 9.919 3.121 ( 2.823 -2.496 1.888) 4.215 3.217 ( -6.234 1.109 2.111) 6.675 3.252 ( -5.158 1.887 1.160) 5.613 3.452 ( -3.919 -0.554 6.439) 7.558 3.504 ( 2.706 -0.856 -3.569) 4.560 3.692 ( 0.280 -2.806 3.904) 4.815 3.757 ( -0.681 -3.219 1.980) 3.840 3.828 ( 3.889 0.987 -3.170) 5.114 4.068 ( 0.756 0.597 1.078) 1.445 4.161 ( -6.190 -2.755 -1.105) 6.865 4.450 ( -5.174 -7.997 6.647) 11.615 4.516 ( 5.355 -2.875 -2.243) 6.478 4.566 ( -4.270 -5.152 0.260) 6.697 4.633 ( 1.772 -2.319 -6.423) 7.055 4.807 ( -1.564 3.066 2.651) 4.344 4.965 ( 1.333 0.692 -3.795) 4.081 5.056 ( -4.446 1.050 -4.393) 6.338 5.181 ( -3.166 0.829 -3.941) 5.123 5.301 ( 1.400 1.435 4.035) 4.506 5.526 ( 1.410 -1.520 -3.378) 3.963 5.616 ( 0.568 -5.934 0.069) 5.962 5.733 ( -0.858 -0.471 0.707) 1.207 5.802 ( -0.062 0.647 1.632) 1.756 5.868 ( 1.511 -4.278 -0.403) 4.555 6.009 ( -0.093 0.568 -0.025) 0.576 6.072 ( 2.261 -1.381 -1.358) 2.977 6.294 ( 0.461 4.911 -0.043) 4.933 6.315 ( -3.541 1.159 0.367) 3.744 6.690 ( 6.561 -13.217 17.662) 23.015 7.079 ( -0.836 -2.969 4.950) 5.832 7.116 ( -4.037 -1.756 3.445) 5.590 7.544 ( 4.633 -1.923 -9.132) 10.419 7.696 ( 2.888 1.571 1.211) 3.503 7.777 ( 6.814 8.780 -5.931) 12.597 8.359 ( -1.448 -1.567 -7.124) 7.437 8.397 ( -13.539 -3.682 3.745) 14.521 8.922 ( 7.616 -0.512 -0.171) 7.635 9.110 ( -6.290 -1.198 1.560) 6.591 9.694 ( -0.535 -0.628 6.389) 6.442 9.970 ( 2.348 -0.270 -3.942) 4.596 10.238 ( -8.929 -29.363 33.675) 45.562 10.564 ( 1.009 -1.620 -0.245) 1.924 10.688 ( -3.253 -0.505 5.892) 6.750 11.234 ( 6.627 -12.084 -11.275) 17.806 11.679 ( 3.956 -10.298 1.379) 11.118 11.835 ( -2.855 0.908 -1.180) 3.219 12.403 ( 1.525 14.056 -1.956) 14.273 12.683 ( -13.431 -3.883 -0.768) 14.002 13.554 ( 3.315 -2.277 5.887) 7.129 13.852 ( 25.327 26.057 -24.315) 43.722 ======================= Grid point 137 (48/138) ======================= q-point: ( 0.09 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 7.384 0.000 16.094) 17.708 0.578 ( 8.772 0.000 15.615) 17.910 0.757 ( 8.148 0.000 24.498) 25.817 0.865 ( -7.063 -0.000 -12.252) 14.142 0.967 ( 2.277 0.000 -8.751) 9.042 1.345 ( -1.819 -0.000 -4.394) 4.755 1.474 ( 7.367 0.000 -11.891) 13.988 1.641 ( 10.746 0.000 1.628) 10.869 1.732 ( -1.741 -0.000 3.884) 4.256 1.841 ( -10.940 -0.000 3.570) 11.508 1.851 ( 3.262 0.000 9.019) 9.591 2.049 ( -5.133 -0.000 -5.641) 7.627 2.115 ( 1.523 0.000 -8.104) 8.246 2.166 ( 10.425 0.000 1.438) 10.523 2.361 ( -0.054 -0.000 -5.870) 5.870 2.421 ( 7.019 0.000 4.423) 8.296 2.516 ( -0.197 -0.000 -8.541) 8.543 2.643 ( -6.271 -0.000 4.001) 7.438 2.677 ( 3.978 0.000 -11.101) 11.793 2.794 ( -7.499 -0.000 4.207) 8.598 3.004 ( 2.265 0.000 0.463) 2.312 3.060 ( -5.914 -0.000 -1.724) 6.161 3.178 ( 2.544 0.000 2.063) 3.276 3.186 ( 3.599 0.000 -2.436) 4.346 3.330 ( 3.396 0.000 5.975) 6.873 3.432 ( -3.854 -0.000 9.975) 10.694 3.629 ( 6.179 0.000 -11.685) 13.218 3.764 ( 0.368 0.000 3.936) 3.954 3.765 ( -12.323 -0.000 -1.575) 12.424 3.802 ( -0.571 -0.000 3.242) 3.291 4.073 ( 1.423 0.000 4.215) 4.448 4.105 ( 2.372 0.000 -7.015) 7.405 4.337 ( -2.018 -0.000 6.213) 6.533 4.469 ( -8.252 -0.000 -2.189) 8.537 4.675 ( -0.929 -0.000 -8.059) 8.112 4.683 ( 4.027 0.000 1.375) 4.255 4.811 ( 3.947 0.000 7.623) 8.584 4.928 ( 4.289 0.000 9.389) 10.322 5.056 ( -4.376 -0.000 -4.054) 5.965 5.070 ( 4.115 0.000 -7.098) 8.205 5.337 ( -3.267 -0.000 5.879) 6.726 5.444 ( -4.224 -0.000 -4.836) 6.421 5.624 ( -7.026 -0.000 -0.756) 7.066 5.757 ( -6.813 -0.000 -1.253) 6.928 5.785 ( 0.954 0.000 5.565) 5.646 5.918 ( 3.533 0.000 -4.330) 5.589 6.051 ( -1.168 -0.000 0.053) 1.169 6.106 ( 0.879 0.000 2.000) 2.185 6.300 ( 1.949 0.000 -3.312) 3.843 6.304 ( 5.223 0.000 2.666) 5.864 6.914 ( -9.516 -0.000 -3.867) 10.272 7.038 ( 0.979 0.000 2.938) 3.097 7.153 ( -11.925 -0.000 9.430) 15.203 7.427 ( 2.963 0.000 3.452) 4.549 7.602 ( -8.525 -0.000 -0.188) 8.527 7.665 ( 1.269 0.000 -1.281) 1.803 8.276 ( 5.165 0.000 -2.236) 5.628 8.819 ( -1.681 -0.000 -4.823) 5.108 9.025 ( 22.065 0.000 -16.623) 27.626 9.087 ( 3.181 0.000 5.542) 6.390 9.639 ( -8.580 -0.000 5.590) 10.240 9.977 ( 1.334 0.000 -5.735) 5.888 10.556 ( 0.345 0.000 0.482) 0.592 10.607 ( 1.053 0.000 -0.105) 1.058 11.044 ( -44.849 -0.000 28.504) 53.140 11.233 ( -5.021 -0.000 1.536) 5.251 11.465 ( 1.055 0.000 -2.294) 2.525 11.805 ( -0.837 -0.000 3.758) 3.850 12.079 ( 9.774 0.000 3.825) 10.496 12.554 ( 22.740 0.000 4.392) 23.161 13.377 ( -17.736 -0.000 -6.775) 18.986 13.964 ( 3.886 0.000 -11.563) 12.199 ======================= Grid point 138 (49/138) ======================= q-point: ( 0.18 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 10.691 0.553 12.957) 16.807 0.660 ( 3.267 -3.397 3.941) 6.144 0.833 ( 0.741 -5.136 -0.622) 5.227 0.980 ( 2.266 -5.542 -3.983) 7.191 1.051 ( 11.527 -8.703 11.936) 18.737 1.310 ( -1.780 0.937 -6.178) 6.497 1.474 ( 0.051 1.323 -3.712) 3.941 1.629 ( 7.080 3.543 -2.164) 8.207 1.745 ( -5.687 0.956 3.210) 6.600 1.793 ( 0.243 -0.534 -3.338) 3.389 1.886 ( -1.746 0.265 2.486) 3.049 2.023 ( -8.796 -6.962 -7.670) 13.589 2.191 ( 6.569 -1.008 5.314) 8.509 2.220 ( 6.798 3.358 -4.888) 9.021 2.310 ( 2.779 -0.473 -0.731) 2.912 2.482 ( -2.232 -4.403 -0.447) 4.957 2.576 ( 3.036 -3.452 -0.287) 4.606 2.600 ( -7.772 -0.398 2.807) 8.273 2.692 ( 4.562 -0.371 -7.542) 8.822 2.757 ( -3.008 0.085 2.961) 4.221 2.996 ( -0.545 1.871 0.323) 1.976 3.046 ( 0.285 -0.698 -3.091) 3.181 3.187 ( 3.320 1.067 3.906) 5.237 3.212 ( 1.838 -0.048 -3.302) 3.779 3.339 ( 0.420 1.667 2.309) 2.879 3.437 ( -3.804 -0.646 8.829) 9.635 3.596 ( -3.412 1.701 -5.731) 6.883 3.698 ( -0.347 0.787 -1.774) 1.972 3.741 ( 0.596 2.775 4.541) 5.355 3.819 ( 0.632 -0.786 0.576) 1.162 4.032 ( -1.906 2.534 -1.838) 3.665 4.136 ( -1.208 -2.012 0.973) 2.541 4.350 ( -0.226 1.887 0.693) 2.023 4.373 ( -3.385 1.969 -1.644) 4.247 4.608 ( -1.403 2.670 -1.533) 3.383 4.710 ( 3.511 0.284 -1.391) 3.787 4.904 ( 0.454 -2.397 3.890) 4.591 4.929 ( 1.547 3.757 4.259) 5.886 5.008 ( 1.002 0.298 3.072) 3.245 5.080 ( 0.033 0.607 -5.061) 5.097 5.305 ( -6.769 1.272 4.727) 8.354 5.434 ( -1.248 -1.067 -5.204) 5.457 5.521 ( -7.605 2.755 -0.619) 8.113 5.696 ( -7.024 -0.093 -1.776) 7.246 5.772 ( 3.201 1.832 2.273) 4.333 5.928 ( 2.210 -0.434 0.306) 2.273 6.019 ( 2.324 2.186 -0.263) 3.201 6.139 ( 0.535 0.775 -2.111) 2.312 6.265 ( 1.525 -0.194 -1.028) 1.849 6.389 ( 2.483 -0.955 1.049) 2.859 6.808 ( -5.803 3.393 2.519) 7.179 7.044 ( 0.589 1.836 0.509) 1.994 7.054 ( -4.328 1.672 7.608) 8.911 7.371 ( -10.342 3.644 -3.641) 11.554 7.629 ( -1.169 -3.563 2.054) 4.276 7.745 ( 0.506 -6.715 -2.743) 7.271 8.323 ( 11.753 1.115 -1.386) 11.887 8.721 ( -8.449 3.400 0.574) 9.126 9.009 ( 10.084 7.683 -5.218) 13.710 9.184 ( 12.681 0.090 -8.016) 15.002 9.621 ( -8.175 -3.177 7.524) 11.556 9.984 ( 0.482 -1.077 -5.176) 5.309 10.309 ( -4.868 23.800 25.302) 35.076 10.600 ( 0.550 2.449 0.010) 2.510 10.654 ( -2.186 -0.974 5.111) 5.644 11.230 ( -1.657 13.068 -13.745) 19.038 11.468 ( -10.708 -5.221 4.937) 12.895 11.852 ( 1.260 -0.072 1.081) 1.662 12.239 ( 1.668 -7.361 3.751) 8.428 12.878 ( 18.758 -9.998 8.410) 22.859 13.198 ( -21.672 1.434 -7.123) 22.858 13.977 ( -5.410 -2.795 -11.665) 13.159 ======================= Grid point 139 (50/138) ======================= q-point: ( 0.27 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 5.319 -5.109 2.952) 7.944 0.813 ( 7.511 -7.989 4.636) 11.905 1.022 ( 3.639 -8.363 2.913) 9.575 1.064 ( 4.826 -4.405 -8.025) 10.349 1.262 ( -0.643 -0.302 -2.159) 2.273 1.332 ( 6.919 -6.199 8.971) 12.914 1.436 ( -4.796 -0.116 1.415) 5.002 1.624 ( 7.089 1.996 0.409) 7.376 1.715 ( -6.735 -2.748 -3.093) 7.904 1.790 ( 3.005 -0.101 -9.521) 9.984 1.852 ( -0.003 0.778 -2.117) 2.256 2.079 ( -2.490 0.922 0.500) 2.702 2.120 ( -2.248 -0.588 -0.983) 2.523 2.295 ( 0.117 -2.495 0.118) 2.501 2.372 ( 2.786 -1.532 3.053) 4.408 2.547 ( -4.291 -2.534 3.814) 6.275 2.565 ( -6.675 -4.075 2.746) 8.288 2.643 ( -1.855 -1.976 -2.969) 4.020 2.714 ( 4.220 -0.402 1.504) 4.498 2.779 ( 4.987 -0.977 -1.855) 5.409 2.936 ( -1.287 4.997 2.775) 5.859 3.031 ( -0.522 0.604 -4.772) 4.838 3.188 ( -0.910 1.325 -5.406) 5.640 3.227 ( 5.563 -0.369 4.632) 7.248 3.299 ( -0.339 2.293 -1.062) 2.550 3.431 ( -3.118 0.143 6.434) 7.151 3.517 ( -5.037 3.644 1.112) 6.315 3.678 ( 0.914 3.135 2.254) 3.968 3.719 ( 1.597 -0.061 2.488) 2.957 3.854 ( 3.543 -2.104 -6.328) 7.551 3.968 ( -4.408 1.298 -1.046) 4.713 4.160 ( -0.699 -1.041 1.052) 1.637 4.259 ( -5.947 1.426 -0.651) 6.150 4.359 ( 2.904 2.398 -2.903) 4.755 4.564 ( 0.532 2.114 1.789) 2.820 4.727 ( 2.475 -0.001 -0.264) 2.489 4.832 ( -1.267 3.796 2.560) 4.751 4.938 ( -2.416 0.023 -0.291) 2.434 5.007 ( 0.258 2.862 3.422) 4.469 5.091 ( 2.817 -1.892 3.329) 4.754 5.224 ( -7.898 -0.153 -2.443) 8.268 5.388 ( -4.112 0.993 2.392) 4.860 5.526 ( -1.041 -3.617 -4.331) 5.738 5.673 ( -4.676 -2.629 -2.584) 5.954 5.781 ( 4.608 1.021 -0.522) 4.749 5.947 ( -0.922 -0.069 1.003) 1.365 6.014 ( 3.262 0.633 1.373) 3.596 6.093 ( 1.346 3.313 -3.565) 5.049 6.281 ( 1.055 0.177 -1.551) 1.884 6.375 ( -1.095 2.333 0.524) 2.630 6.724 ( -2.903 4.345 9.130) 10.520 6.996 ( -1.892 1.582 -1.079) 2.692 7.055 ( -1.537 -1.727 -1.136) 2.576 7.226 ( -6.329 3.854 -0.859) 7.459 7.675 ( -1.063 -2.150 0.507) 2.452 7.852 ( 0.069 -5.083 -3.070) 5.939 8.381 ( 13.951 2.717 -2.877) 14.501 8.609 ( -8.373 2.641 3.862) 9.591 8.910 ( 7.208 8.508 -1.553) 11.259 9.210 ( 9.325 2.991 -7.396) 12.272 9.658 ( -5.333 -3.206 9.309) 11.197 9.935 ( -4.954 5.608 6.585) 9.968 10.105 ( 4.552 2.913 7.219) 9.018 10.511 ( -0.029 6.627 -5.955) 8.910 10.712 ( 0.306 -3.954 1.526) 4.249 10.990 ( 4.077 9.372 -9.660) 14.063 11.476 ( -8.581 -2.789 4.410) 10.043 11.835 ( 1.952 2.275 0.505) 3.040 12.298 ( -1.940 1.176 3.699) 4.340 12.891 ( -3.903 11.816 -8.958) 15.332 13.223 ( -4.087 -10.616 12.261) 16.725 13.922 ( -6.623 0.462 -10.181) 12.155 ======================= Grid point 140 (51/138) ======================= q-point: ( 0.36 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 2.808 -6.740 3.363) 8.039 1.032 ( 2.932 -8.430 0.905) 8.971 1.103 ( -0.324 -2.677 -4.146) 4.945 1.183 ( 8.776 -3.804 -5.977) 11.279 1.317 ( 3.900 -1.504 2.328) 4.785 1.371 ( -3.673 -1.813 3.531) 5.408 1.458 ( 2.949 0.076 3.508) 4.583 1.676 ( -5.921 0.484 -8.735) 10.563 1.698 ( 9.482 -1.438 3.101) 10.079 1.826 ( -0.014 -2.978 -4.167) 5.122 1.879 ( 4.581 -2.811 -1.583) 5.603 2.034 ( -0.164 0.368 2.634) 2.664 2.133 ( -0.543 0.764 4.038) 4.146 2.280 ( -7.675 0.232 -3.621) 8.490 2.409 ( 1.693 -1.541 0.990) 2.494 2.568 ( -6.100 -3.245 2.838) 7.470 2.616 ( -6.374 -0.661 -0.428) 6.422 2.643 ( 0.266 -2.788 3.686) 4.629 2.748 ( 0.021 1.835 0.961) 2.072 2.822 ( 2.199 3.959 0.245) 4.535 2.833 ( 2.876 -1.061 0.948) 3.209 3.030 ( 0.742 -1.324 -2.743) 3.135 3.148 ( -0.413 0.751 -5.910) 5.972 3.227 ( -3.094 1.576 -0.704) 3.543 3.295 ( 2.614 -0.426 0.524) 2.700 3.401 ( -1.469 5.488 0.962) 5.762 3.425 ( -1.902 0.497 5.661) 5.992 3.606 ( -2.434 3.982 1.526) 4.910 3.771 ( 0.281 -3.166 4.291) 5.340 3.874 ( -1.790 0.252 -7.959) 8.162 3.949 ( 3.946 -0.552 0.026) 3.984 4.165 ( -1.043 0.286 0.236) 1.107 4.231 ( -2.088 -1.545 2.161) 3.379 4.318 ( 2.955 2.756 -3.225) 5.170 4.522 ( 2.102 4.290 1.120) 4.906 4.728 ( 0.897 1.867 3.092) 3.722 4.801 ( -3.464 -1.532 1.273) 3.996 4.905 ( -2.707 1.605 -2.473) 4.003 4.971 ( 2.153 1.884 5.606) 6.294 5.145 ( 0.207 -3.150 -5.891) 6.684 5.237 ( -4.279 -5.556 0.064) 7.013 5.370 ( -4.088 -1.091 5.735) 7.127 5.556 ( 1.715 -0.463 -5.379) 5.665 5.702 ( -4.385 -3.869 -2.654) 6.422 5.796 ( 5.514 0.504 -0.777) 5.591 5.894 ( -3.090 4.892 3.705) 6.871 6.031 ( 3.195 2.080 1.567) 4.121 6.046 ( -0.424 -0.060 -2.413) 2.451 6.253 ( 0.969 2.762 -3.780) 4.781 6.330 ( -2.407 0.884 1.744) 3.101 6.650 ( -2.166 3.520 8.991) 9.896 6.935 ( -2.910 2.610 -2.294) 4.533 7.093 ( -3.628 -3.906 -3.227) 6.231 7.151 ( 2.788 2.713 1.828) 4.298 7.698 ( -0.805 -1.240 -1.667) 2.228 7.925 ( -0.090 -3.544 -1.511) 3.854 8.386 ( 10.782 5.349 -5.933) 13.419 8.519 ( -6.593 2.590 4.947) 8.640 8.806 ( 7.505 7.831 1.117) 10.904 9.199 ( 5.440 1.864 -5.257) 7.792 9.688 ( -2.980 -0.753 10.092) 10.550 9.832 ( -5.174 2.952 8.030) 9.998 10.136 ( 4.107 -0.486 -2.692) 4.934 10.374 ( 2.334 5.768 -10.874) 12.529 10.791 ( 2.162 -2.412 1.375) 3.519 10.871 ( 2.440 5.204 -1.479) 5.935 11.473 ( -6.217 -1.848 -1.718) 6.709 11.828 ( 0.589 -0.511 4.273) 4.343 12.223 ( -2.582 5.127 2.437) 6.236 12.604 ( -4.830 12.702 -3.786) 14.107 13.338 ( -5.464 -2.798 4.294) 7.491 13.869 ( -1.200 -0.815 -4.249) 4.490 ======================= Grid point 141 (52/138) ======================= q-point: ( 0.45 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -1.665 -0.560 -1.475) 2.294 1.103 ( 0.184 -1.075 -6.655) 6.743 1.166 ( 0.064 -3.643 -2.373) 4.349 1.259 ( -1.647 3.137 2.841) 4.541 1.366 ( 5.922 -6.068 4.351) 9.530 1.416 ( 7.321 3.083 -1.375) 8.062 1.548 ( 6.155 -4.810 0.625) 7.836 1.589 ( -4.720 1.626 -1.385) 5.181 1.770 ( 5.556 0.899 1.015) 5.719 1.867 ( -0.002 -2.413 0.213) 2.423 1.975 ( 2.251 -4.383 -3.217) 5.885 2.047 ( -1.094 0.358 1.264) 1.709 2.150 ( 3.830 -1.304 9.293) 10.136 2.213 ( -1.479 0.887 -3.741) 4.119 2.450 ( 0.659 1.742 2.405) 3.043 2.535 ( -5.665 -0.059 1.113) 5.773 2.587 ( -8.229 -3.727 -0.843) 9.073 2.667 ( -1.348 1.031 -4.150) 4.484 2.702 ( 2.660 1.302 0.343) 2.981 2.828 ( 1.324 -0.172 1.611) 2.092 2.874 ( -0.021 -1.961 2.250) 2.985 3.041 ( 1.945 1.775 -0.989) 2.813 3.139 ( -3.531 -2.478 -4.491) 6.228 3.186 ( -2.367 -0.330 0.634) 2.472 3.290 ( 0.530 2.091 -0.701) 2.268 3.339 ( -0.187 1.122 1.787) 2.118 3.391 ( -2.098 2.897 0.355) 3.595 3.541 ( -4.621 -0.932 0.314) 4.724 3.821 ( -4.111 1.020 -2.452) 4.894 3.841 ( 0.943 -2.627 4.126) 4.981 3.983 ( 5.859 1.817 -3.041) 6.846 4.137 ( -1.169 0.736 -1.425) 1.985 4.294 ( 3.420 -0.467 4.010) 5.291 4.302 ( 1.700 -1.289 0.478) 2.186 4.456 ( 5.794 4.349 -0.282) 7.251 4.682 ( -3.297 3.100 1.516) 4.773 4.810 ( -7.049 -1.555 -1.746) 7.426 4.837 ( 1.153 2.880 0.187) 3.108 4.987 ( 2.663 -0.125 2.757) 3.835 5.205 ( -1.312 -4.912 -8.327) 9.756 5.318 ( -3.832 -5.288 1.866) 6.792 5.392 ( -0.465 -1.603 5.221) 5.481 5.551 ( 2.697 0.897 -4.752) 5.537 5.725 ( -3.878 -2.791 -1.563) 5.027 5.771 ( -2.645 5.175 6.217) 8.511 5.863 ( 3.960 -2.538 0.343) 4.717 5.953 ( 1.233 5.864 -0.351) 6.003 6.088 ( -0.293 -2.906 0.025) 2.921 6.205 ( 0.863 1.888 -3.086) 3.719 6.315 ( -2.698 -0.774 2.036) 3.467 6.604 ( -0.498 2.639 5.778) 6.372 6.862 ( -2.894 2.163 -2.148) 4.203 7.077 ( -2.094 2.288 3.363) 4.575 7.188 ( 3.875 -2.573 -4.647) 6.575 7.708 ( 0.240 -0.840 -2.396) 2.550 7.975 ( -0.623 -2.278 -0.625) 2.443 8.330 ( 7.739 5.816 -5.287) 11.031 8.439 ( -5.885 1.884 3.644) 7.173 8.736 ( 8.213 6.549 1.455) 10.605 9.194 ( 1.836 0.826 -3.538) 4.071 9.699 ( -2.057 -0.041 10.100) 10.308 9.776 ( -4.871 1.253 7.555) 9.076 10.157 ( 3.144 -0.732 -7.325) 8.005 10.291 ( 3.185 3.309 -10.073) 11.070 10.770 ( 1.456 3.875 0.159) 4.142 10.877 ( 1.583 -1.778 4.375) 4.981 11.420 ( -4.209 2.811 -8.957) 10.288 11.882 ( -1.752 -3.921 4.490) 6.213 12.116 ( -3.339 3.144 0.019) 4.586 12.379 ( 0.804 9.375 4.234) 10.319 13.295 ( -7.893 1.044 -1.821) 8.168 13.915 ( 3.641 -2.600 0.647) 4.521 ======================= Grid point 142 (53/138) ======================= q-point: ( 0.55 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 1.145 0.329 -2.018) 2.344 1.093 ( 2.047 1.643 -3.785) 4.606 1.156 ( -1.168 2.015 -0.900) 2.497 1.222 ( -3.864 0.266 0.967) 3.992 1.401 ( 8.422 3.350 0.248) 9.067 1.475 ( 0.190 2.469 -5.241) 5.796 1.512 ( -0.292 -3.575 5.949) 6.947 1.702 ( 4.906 0.007 2.834) 5.666 1.758 ( 0.774 -0.674 1.933) 2.188 1.907 ( -0.856 -1.280 -1.164) 1.930 1.996 ( -3.550 2.178 -0.527) 4.198 2.047 ( 0.960 -1.739 0.690) 2.103 2.214 ( 4.750 0.925 -0.729) 4.894 2.253 ( 4.210 -3.820 3.529) 6.691 2.390 ( 2.448 1.835 3.961) 5.005 2.576 ( 1.051 -2.161 -0.807) 2.535 2.588 ( -7.626 -3.269 -3.491) 9.002 2.638 ( 0.518 -0.122 -4.763) 4.793 2.676 ( 2.552 3.705 2.379) 5.089 2.823 ( -2.765 -0.094 0.325) 2.785 2.932 ( -1.437 -4.344 2.901) 5.418 3.024 ( 2.399 0.597 -1.710) 3.006 3.132 ( -6.275 -0.931 0.880) 6.405 3.205 ( 1.036 -0.800 -2.691) 2.992 3.258 ( -1.876 1.351 5.380) 5.856 3.288 ( -2.858 2.938 -3.137) 5.161 3.337 ( -1.072 0.181 -1.362) 1.743 3.578 ( -4.237 -5.066 -0.325) 6.612 3.782 ( 0.648 0.866 -0.492) 1.188 3.903 ( 0.184 -2.477 4.760) 5.369 3.947 ( 3.064 3.695 -4.006) 6.252 4.132 ( -0.389 -0.562 -1.373) 1.534 4.250 ( 3.861 5.335 -1.794) 6.826 4.357 ( -0.456 -1.188 2.362) 2.683 4.505 ( 7.906 -1.771 5.345) 9.706 4.592 ( -2.924 3.069 -0.679) 4.293 4.709 ( -4.553 4.395 -6.368) 8.978 4.858 ( -0.994 -2.618 1.704) 3.278 5.008 ( -0.235 -0.467 0.465) 0.699 5.238 ( 0.346 0.030 -1.877) 1.908 5.364 ( -5.835 -2.462 2.719) 6.892 5.431 ( 1.574 -1.388 -0.690) 2.209 5.569 ( 4.203 -0.923 -2.295) 4.877 5.700 ( -1.889 1.485 4.863) 5.424 5.762 ( -2.328 -3.141 -0.435) 3.933 5.843 ( 0.288 3.070 -0.125) 3.086 5.975 ( 4.238 -3.715 0.302) 5.644 6.126 ( -1.033 -0.894 0.022) 1.366 6.174 ( 0.889 1.567 0.340) 1.833 6.337 ( -2.099 -3.060 0.162) 3.714 6.559 ( -0.184 3.356 5.169) 6.166 6.811 ( -2.693 0.284 -2.396) 3.616 7.023 ( 0.357 3.238 3.034) 4.452 7.245 ( 2.090 -2.487 -5.319) 6.233 7.724 ( 1.941 -0.367 -1.744) 2.635 7.989 ( -1.782 -0.131 -0.462) 1.845 8.275 ( 5.914 4.147 -3.217) 7.907 8.401 ( -5.054 -1.540 1.296) 5.440 8.681 ( 7.396 5.668 1.715) 9.475 9.169 ( -2.291 1.074 -2.105) 3.291 9.690 ( -4.182 1.196 8.540) 9.584 9.764 ( -2.312 -0.720 8.701) 9.032 10.195 ( 3.745 -2.602 -8.995) 10.085 10.225 ( 1.309 3.158 -9.158) 9.775 10.729 ( -0.352 1.182 1.482) 1.928 10.940 ( 1.750 -2.890 4.504) 5.630 11.273 ( -3.479 6.642 -9.750) 12.300 11.924 ( 1.527 -0.393 -3.080) 3.460 12.098 ( -5.360 -2.740 3.941) 7.195 12.305 ( 3.734 0.811 5.033) 6.319 13.217 ( -6.175 1.305 0.852) 6.369 13.989 ( 4.608 -1.797 -0.159) 4.948 ======================= Grid point 143 (54/138) ======================= q-point: (-0.36 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 4.034 1.452 -0.390) 4.305 1.041 ( 1.001 4.377 0.342) 4.503 1.133 ( 1.824 1.311 0.589) 2.322 1.201 ( -6.428 -3.054 -0.603) 7.142 1.391 ( 2.722 5.112 0.765) 5.842 1.427 ( 6.737 1.390 -0.927) 6.941 1.593 ( 0.540 -2.113 0.106) 2.184 1.619 ( -6.485 4.233 7.638) 10.877 1.811 ( -3.587 1.718 -1.474) 4.242 1.880 ( 3.422 0.998 -3.090) 4.718 1.928 ( -1.579 2.649 -0.825) 3.192 2.080 ( 1.553 -1.564 3.151) 3.846 2.249 ( 5.264 0.542 -4.969) 7.259 2.325 ( 1.716 -2.829 -4.811) 5.839 2.428 ( 5.067 -0.132 2.529) 5.665 2.578 ( -1.274 -0.171 0.079) 1.288 2.615 ( 0.998 -1.237 1.152) 1.963 2.631 ( 0.347 0.944 1.570) 1.865 2.681 ( 4.572 -1.716 2.392) 5.438 2.816 ( -2.502 -1.270 1.121) 3.021 3.000 ( -4.893 -1.909 -5.103) 7.324 3.030 ( -0.780 -1.588 0.548) 1.853 3.096 ( -4.161 -0.815 1.006) 4.358 3.182 ( -3.560 1.091 -0.161) 3.727 3.216 ( 1.535 1.441 1.891) 2.830 3.301 ( -0.007 -2.615 4.431) 5.145 3.328 ( -0.528 -0.333 -2.543) 2.619 3.616 ( -3.958 -1.942 0.743) 4.471 3.799 ( 5.402 0.978 -3.779) 6.665 3.908 ( -0.440 -0.244 -2.389) 2.441 3.947 ( 1.538 0.160 5.267) 5.489 4.135 ( -2.367 -1.405 -0.316) 2.771 4.199 ( 3.899 1.372 -4.176) 5.876 4.337 ( -2.123 2.285 0.140) 3.122 4.527 ( -2.342 2.815 8.167) 8.950 4.582 ( 3.232 4.372 -7.854) 9.552 4.617 ( -2.771 -4.743 1.361) 5.659 4.913 ( 1.402 -1.965 -0.179) 2.421 5.022 ( -1.431 -3.437 -2.534) 4.503 5.207 ( 2.565 3.757 0.692) 4.601 5.355 ( -4.529 -0.584 2.132) 5.040 5.468 ( 2.726 -0.972 -1.257) 3.156 5.582 ( 2.759 1.929 -1.400) 3.646 5.689 ( -2.028 0.687 4.224) 4.736 5.786 ( -1.141 -2.964 0.419) 3.204 5.877 ( -0.184 -4.573 -1.923) 4.964 6.045 ( 3.089 0.643 -1.394) 3.450 6.092 ( -2.257 0.920 -0.856) 2.583 6.179 ( 2.436 0.481 1.622) 2.966 6.367 ( -0.505 -0.297 -1.359) 1.480 6.523 ( -2.230 0.251 9.261) 9.529 6.822 ( -1.187 -3.691 -1.352) 4.106 6.991 ( 0.773 1.194 2.270) 2.679 7.292 ( 2.352 -2.639 -6.096) 7.047 7.734 ( 4.040 1.333 -0.862) 4.340 7.961 ( -2.992 0.726 -0.028) 3.079 8.245 ( 3.017 1.893 -3.240) 4.815 8.407 ( -6.709 -2.235 -0.200) 7.074 8.661 ( 9.179 2.490 2.919) 9.949 9.115 ( -5.814 0.960 -0.884) 5.959 9.655 ( -3.886 0.830 6.832) 7.904 9.783 ( -2.806 -0.427 9.591) 10.002 10.138 ( -0.371 3.371 -8.116) 8.797 10.278 ( 4.164 -4.567 -9.988) 11.746 10.721 ( -1.832 -0.695 0.939) 2.173 11.004 ( -3.682 -2.309 -6.952) 8.199 11.160 ( 4.077 2.034 6.484) 7.925 11.929 ( 2.194 0.691 -1.131) 2.563 12.108 ( -0.072 -0.937 1.493) 1.764 12.416 ( -0.837 -9.707 -4.312) 10.654 13.174 ( -2.549 0.896 9.247) 9.634 14.040 ( 4.240 -0.781 -3.340) 5.454 ======================= Grid point 144 (55/138) ======================= q-point: (-0.27 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -1.715 3.286 -0.318) 3.720 0.972 ( 5.508 1.343 2.128) 6.055 1.106 ( 4.271 4.642 3.268) 7.104 1.221 ( -5.110 -1.248 1.528) 5.478 1.314 ( 2.504 4.266 0.198) 4.950 1.366 ( -2.106 8.687 -1.016) 8.997 1.520 ( -5.964 2.521 5.136) 8.265 1.624 ( 1.686 0.565 0.326) 1.808 1.721 ( -1.619 1.870 -2.580) 3.574 1.825 ( -1.320 1.649 -1.982) 2.897 1.945 ( 4.359 0.108 -3.259) 5.444 2.128 ( 1.911 -1.186 0.791) 2.384 2.232 ( 4.678 1.973 -6.071) 7.914 2.366 ( -2.141 -1.384 -7.610) 8.026 2.458 ( 3.730 -0.290 0.921) 3.853 2.550 ( -0.270 3.153 5.631) 6.460 2.627 ( -1.929 -0.925 -1.650) 2.702 2.671 ( 4.296 -0.238 3.550) 5.577 2.770 ( 6.658 -2.591 4.638) 8.518 2.857 ( -0.538 -3.918 3.791) 5.478 2.913 ( -7.297 1.389 -5.297) 9.123 3.030 ( -1.757 2.366 0.349) 2.968 3.130 ( 3.516 0.418 -2.867) 4.556 3.150 ( -5.781 -2.496 3.090) 7.014 3.243 ( -0.827 -3.693 2.413) 4.489 3.332 ( 0.005 -0.879 -2.292) 2.455 3.363 ( -0.388 -2.772 4.091) 4.957 3.618 ( -2.263 -0.865 1.389) 2.792 3.752 ( 2.770 5.259 -3.570) 6.933 3.901 ( -0.289 1.351 -0.001) 1.381 3.985 ( 2.616 -2.382 0.816) 3.631 4.151 ( -2.761 -1.225 -2.971) 4.237 4.235 ( 0.592 -3.663 -1.253) 3.917 4.307 ( 0.365 -1.496 0.410) 1.594 4.469 ( -3.070 2.069 1.958) 4.188 4.515 ( 1.132 2.302 -2.354) 3.482 4.711 ( -1.201 -5.315 4.118) 6.830 4.941 ( 3.053 -0.464 -1.841) 3.595 5.094 ( -1.558 -4.118 -5.701) 7.204 5.157 ( 2.042 3.129 -0.012) 3.737 5.344 ( -0.754 0.100 5.520) 5.572 5.491 ( 3.058 0.266 -4.122) 5.140 5.555 ( 2.658 1.865 -0.958) 3.386 5.692 ( -1.936 -1.886 4.027) 4.850 5.827 ( -1.658 -1.016 -1.166) 2.267 5.914 ( -1.866 1.645 2.032) 3.212 6.006 ( -0.747 -0.015 -6.953) 6.993 6.090 ( 0.396 -1.211 -3.460) 3.687 6.181 ( 3.310 1.835 3.158) 4.929 6.350 ( -0.174 0.709 1.491) 1.660 6.558 ( -2.775 -2.128 11.403) 11.927 6.901 ( -1.215 -5.055 -0.901) 5.276 6.999 ( 0.633 -0.933 2.085) 2.371 7.356 ( 2.924 -3.843 -7.931) 9.285 7.732 ( 6.239 2.566 1.299) 6.870 7.934 ( -2.940 -0.331 -0.419) 2.988 8.231 ( 1.826 0.659 -3.625) 4.112 8.360 ( -11.075 -0.173 0.048) 11.077 8.746 ( 12.176 -1.938 2.568) 12.594 9.057 ( -7.871 -0.342 0.417) 7.889 9.645 ( -2.878 -0.809 6.966) 7.580 9.778 ( -4.250 0.504 10.872) 11.684 10.070 ( 0.358 1.804 -7.411) 7.636 10.370 ( 3.233 -4.897 -10.802) 12.293 10.728 ( -1.758 -1.170 0.052) 2.112 10.953 ( -5.055 -0.524 -11.646) 12.706 11.263 ( 6.580 -3.038 15.649) 17.246 11.918 ( -0.985 0.794 0.371) 1.319 12.181 ( 4.119 -5.458 -0.136) 6.839 12.570 ( -3.105 -9.741 -14.919) 18.086 13.207 ( 1.118 -1.827 19.378) 19.496 14.070 ( 4.055 -0.716 -7.461) 8.522 ======================= Grid point 145 (56/138) ======================= q-point: (-0.18 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -0.557 6.497 -1.567) 6.707 0.951 ( 0.544 4.422 -2.216) 4.976 0.993 ( -1.905 13.314 2.017) 13.600 1.148 ( 4.075 6.247 4.023) 8.474 1.214 ( 0.068 2.341 10.047) 10.317 1.272 ( -2.872 2.143 -2.465) 4.350 1.456 ( -3.046 0.433 0.290) 3.090 1.575 ( 2.389 5.208 -0.907) 5.801 1.717 ( -4.709 -2.232 4.054) 6.602 1.824 ( 5.777 0.905 -8.649) 10.440 1.961 ( 3.421 -1.346 -3.014) 4.754 2.136 ( -0.212 1.125 -1.213) 1.668 2.225 ( 3.680 1.910 -4.334) 5.997 2.309 ( -7.159 1.122 -5.998) 9.407 2.461 ( -1.719 2.521 0.986) 3.206 2.513 ( 5.610 3.456 5.350) 8.487 2.611 ( -3.405 0.049 -0.403) 3.429 2.688 ( 2.591 1.172 1.044) 3.029 2.835 ( -2.434 1.279 -2.715) 3.863 2.908 ( 3.688 -5.247 6.615) 9.214 2.944 ( 2.797 -0.226 1.430) 3.149 2.969 ( -2.697 -0.721 -1.272) 3.068 3.081 ( 2.584 3.644 2.751) 5.246 3.193 ( -6.154 -3.422 -1.865) 7.284 3.287 ( -4.049 -1.300 -2.751) 5.065 3.374 ( 1.994 -3.018 7.430) 8.264 3.420 ( 1.204 -3.085 -1.097) 3.489 3.624 ( -1.580 -0.819 1.631) 2.414 3.684 ( 0.080 1.453 -1.274) 1.934 3.881 ( 2.586 1.445 -2.418) 3.824 4.033 ( -0.507 -1.395 1.021) 1.802 4.130 ( -0.584 0.097 -3.212) 3.266 4.317 ( -2.444 -4.576 2.882) 5.934 4.383 ( 4.872 -3.626 -1.184) 6.188 4.436 ( -4.462 -1.468 0.708) 4.750 4.510 ( 3.049 -1.187 -3.746) 4.974 4.811 ( -0.810 -4.763 6.222) 7.878 4.958 ( 4.347 1.614 -2.907) 5.473 5.086 ( -3.113 0.485 -2.994) 4.346 5.131 ( -2.885 -0.495 -1.822) 3.448 5.356 ( 1.169 0.788 3.362) 3.646 5.499 ( 2.154 -0.317 -8.005) 8.295 5.559 ( 3.089 0.086 -0.234) 3.099 5.702 ( -6.253 -0.098 -2.420) 6.706 5.804 ( 3.284 0.720 3.288) 4.703 5.871 ( 0.587 1.689 2.452) 3.035 5.991 ( -2.816 -0.649 -4.428) 5.287 6.098 ( 0.678 0.669 -4.807) 4.900 6.213 ( 2.763 -2.283 4.390) 5.667 6.353 ( -0.662 -0.728 0.814) 1.277 6.590 ( -1.708 -0.220 13.235) 13.346 6.967 ( -2.383 -3.637 0.102) 4.350 7.040 ( 0.762 -2.162 1.836) 2.937 7.423 ( 0.991 -3.778 -10.178) 10.901 7.745 ( 5.850 1.710 4.007) 7.294 7.927 ( 0.630 -0.023 -3.423) 3.481 8.225 ( -5.116 -1.087 1.648) 5.484 8.304 ( -2.842 -1.400 -3.039) 4.390 8.878 ( 11.394 -1.798 1.137) 11.591 9.024 ( -9.310 -2.560 1.344) 9.748 9.671 ( -1.973 -1.654 8.162) 8.559 9.776 ( -4.445 -1.475 14.467) 15.206 10.040 ( 1.401 0.703 -6.094) 6.292 10.454 ( 2.031 -4.753 -9.826) 11.102 10.732 ( -0.503 0.091 0.290) 0.588 10.927 ( -2.877 -3.073 -11.855) 12.580 11.400 ( 4.619 -3.784 14.364) 15.556 11.890 ( -2.455 0.677 -2.602) 3.641 12.352 ( 1.916 -9.466 2.303) 9.929 12.646 ( -0.123 -3.412 -14.315) 14.716 13.336 ( 0.061 -5.731 20.308) 21.101 14.096 ( 5.014 -1.052 -12.056) 13.099 ======================= Grid point 146 (57/138) ======================= q-point: (-0.09 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -2.372 15.536 -0.003) 15.716 0.739 ( 0.203 11.422 6.198) 12.997 0.886 ( -0.730 1.272 -5.713) 5.899 1.016 ( 1.930 12.359 15.957) 20.276 1.182 ( -2.649 3.437 -6.669) 7.956 1.291 ( 2.275 -3.865 3.706) 5.818 1.447 ( 1.361 0.220 -1.703) 2.191 1.512 ( 2.893 2.854 -1.296) 4.266 1.727 ( -2.756 -1.033 4.968) 5.774 1.811 ( 1.908 1.633 -2.387) 3.465 2.030 ( 6.589 -1.565 -5.128) 8.495 2.097 ( -1.638 1.359 -1.001) 2.352 2.132 ( -8.665 4.940 0.045) 9.974 2.257 ( 0.742 -0.653 -8.753) 8.809 2.399 ( 1.732 4.425 3.188) 5.722 2.452 ( -2.596 5.349 0.248) 5.950 2.597 ( 1.154 0.527 1.093) 1.674 2.683 ( 0.888 0.651 -0.730) 1.321 2.775 ( -2.428 2.567 -6.252) 7.182 2.874 ( -5.714 1.492 -0.600) 5.936 2.990 ( -0.445 -0.052 2.758) 2.794 3.062 ( 3.360 -4.153 2.814) 6.038 3.115 ( 5.419 -2.915 2.023) 6.478 3.178 ( -6.325 -1.255 4.534) 7.883 3.258 ( -0.958 1.230 -3.439) 3.776 3.447 ( -1.368 -1.251 10.305) 10.471 3.491 ( 6.030 -2.340 -6.149) 8.925 3.642 ( -1.079 -2.280 3.196) 4.071 3.698 ( -0.593 -2.783 0.178) 2.851 3.864 ( 1.603 1.507 -3.128) 3.824 4.046 ( -3.592 -1.659 1.797) 4.346 4.129 ( 2.689 0.687 -2.413) 3.678 4.352 ( -4.826 -1.571 4.827) 7.005 4.451 ( -5.372 -3.756 -0.959) 6.624 4.498 ( 6.454 -4.263 -1.545) 7.887 4.579 ( 4.622 -3.551 -5.206) 7.815 4.873 ( 0.405 1.258 4.910) 5.085 4.948 ( 1.723 -0.795 0.855) 2.081 5.037 ( -5.368 1.529 -4.490) 7.163 5.129 ( -3.549 -2.603 -4.933) 6.611 5.343 ( 0.033 1.850 2.274) 2.931 5.477 ( -1.705 -0.932 -5.480) 5.814 5.581 ( 2.297 -0.130 0.190) 2.309 5.671 ( -3.809 -2.115 -4.466) 6.240 5.821 ( 0.743 1.414 4.419) 4.699 5.880 ( 3.770 0.447 1.326) 4.022 5.984 ( -1.862 -1.596 -1.578) 2.916 6.082 ( 2.101 0.251 -3.029) 3.694 6.280 ( 0.657 -1.969 1.941) 2.842 6.354 ( -0.840 0.652 -0.973) 1.441 6.639 ( 1.776 -2.905 16.678) 17.022 7.012 ( -2.258 -3.102 0.960) 3.955 7.080 ( -1.326 -1.313 2.963) 3.501 7.469 ( -1.015 -3.854 -9.992) 10.757 7.743 ( -0.014 1.921 2.845) 3.433 7.897 ( 1.375 4.003 -6.010) 7.351 8.231 ( -8.031 -4.623 2.507) 9.600 8.376 ( 13.228 -3.074 -3.014) 13.911 8.962 ( 2.917 -1.197 1.862) 3.662 9.025 ( -3.524 -2.496 -0.510) 4.349 9.699 ( -1.555 -0.421 7.618) 7.787 9.872 ( -3.803 -8.428 21.763) 23.646 10.028 ( 0.127 -0.216 -3.091) 3.101 10.529 ( 1.511 -3.521 -4.191) 5.679 10.708 ( -1.127 2.129 1.395) 2.784 11.006 ( 2.193 -10.190 -15.214) 18.442 11.541 ( 1.318 -5.972 10.749) 12.367 11.846 ( -2.638 1.067 -4.604) 5.412 12.507 ( -8.995 -6.214 1.096) 10.987 12.637 ( 9.759 4.686 -4.516) 11.730 13.465 ( -6.309 -5.404 12.539) 15.041 14.112 ( 7.049 1.128 -17.166) 18.591 ======================= Grid point 149 (58/138) ======================= q-point: ( 0.18 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 2.470 0.000 -8.434) 8.788 0.712 ( 8.947 0.000 11.495) 14.566 0.850 ( 8.623 0.000 11.822) 14.633 0.922 ( 3.973 0.000 0.562) 4.013 1.084 ( 14.535 0.000 11.123) 18.303 1.291 ( -0.853 -0.000 -9.751) 9.788 1.490 ( -1.361 -0.000 -7.468) 7.591 1.689 ( -9.715 -0.000 -1.595) 9.845 1.716 ( -2.740 -0.000 3.647) 4.562 1.770 ( 6.134 0.000 -2.192) 6.514 1.867 ( -2.231 -0.000 -14.529) 14.700 1.923 ( 0.135 0.000 10.074) 10.075 2.242 ( 3.261 0.000 3.441) 4.741 2.313 ( 0.797 0.000 -4.835) 4.900 2.319 ( 7.838 0.000 3.392) 8.541 2.363 ( -8.037 -0.000 -5.254) 9.602 2.546 ( -7.256 -0.000 3.691) 8.141 2.568 ( 1.880 0.000 -0.894) 2.082 2.725 ( 8.857 0.000 -7.529) 11.625 2.753 ( 1.068 0.000 4.216) 4.350 3.008 ( -0.374 -0.000 -2.970) 2.994 3.055 ( 4.872 0.000 -1.423) 5.076 3.215 ( 2.379 0.000 -6.959) 7.354 3.226 ( 0.648 0.000 7.275) 7.304 3.351 ( -1.903 -0.000 1.118) 2.207 3.432 ( -2.577 -0.000 9.858) 10.189 3.562 ( -5.234 -0.000 -3.302) 6.188 3.695 ( 1.889 0.000 -6.427) 6.699 3.799 ( 1.998 0.000 3.997) 4.468 3.811 ( -0.660 -0.000 3.460) 3.522 4.025 ( -7.158 -0.000 -5.208) 8.852 4.119 ( 1.257 0.000 5.837) 5.971 4.327 ( -9.960 -0.000 -0.993) 10.009 4.405 ( 3.894 0.000 -0.703) 3.956 4.623 ( -0.103 -0.000 -3.644) 3.645 4.721 ( -0.046 -0.000 2.551) 2.552 4.896 ( 2.319 0.000 4.119) 4.726 4.970 ( -4.724 -0.000 -2.620) 5.402 5.041 ( 4.592 0.000 6.033) 7.582 5.100 ( 3.411 0.000 -0.150) 3.415 5.262 ( -11.340 -0.000 4.134) 12.070 5.357 ( -4.508 -0.000 -2.510) 5.160 5.544 ( -3.929 -0.000 -0.270) 3.938 5.607 ( -9.397 -0.000 -5.864) 11.077 5.837 ( 2.734 0.000 4.156) 4.975 5.934 ( 0.207 0.000 -4.785) 4.790 6.071 ( 3.355 0.000 0.964) 3.490 6.111 ( -1.183 -0.000 3.140) 3.355 6.322 ( 2.667 0.000 -2.981) 4.000 6.372 ( 3.474 0.000 0.555) 3.518 6.760 ( -8.427 -0.000 -6.407) 10.586 7.030 ( -2.099 -0.000 2.038) 2.925 7.114 ( -3.939 -0.000 9.755) 10.520 7.324 ( -10.513 -0.000 -1.468) 10.615 7.602 ( 3.280 0.000 3.712) 4.953 7.681 ( 2.404 0.000 -3.160) 3.970 8.426 ( 13.830 0.000 0.483) 13.838 8.680 ( -9.260 -0.000 -1.672) 9.410 9.114 ( -2.740 -0.000 5.131) 5.817 9.264 ( 17.569 0.000 -19.278) 26.083 9.536 ( -7.856 -0.000 6.552) 10.230 9.963 ( 0.350 0.000 -5.076) 5.088 10.564 ( 0.046 0.000 0.023) 0.051 10.624 ( 1.090 0.000 0.390) 1.158 10.711 ( -22.585 -0.000 24.806) 33.548 11.123 ( -9.300 -0.000 -2.090) 9.532 11.454 ( -0.852 -0.000 -1.257) 1.518 11.857 ( 4.645 0.000 6.742) 8.187 12.251 ( 10.686 0.000 4.326) 11.529 12.807 ( -3.767 -0.000 4.147) 5.603 13.135 ( 2.591 0.000 -9.296) 9.651 13.877 ( -6.671 -0.000 -9.079) 11.267 ======================= Grid point 150 (59/138) ======================= q-point: ( 0.27 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 6.192 -2.378 -3.689) 7.590 0.841 ( 9.709 0.622 5.844) 11.349 0.921 ( 6.951 -5.654 8.955) 12.668 1.019 ( 6.958 -3.442 -3.062) 8.345 1.253 ( -0.851 0.830 -8.268) 8.353 1.297 ( 11.973 -6.222 12.141) 18.151 1.415 ( -6.120 1.244 -1.337) 6.386 1.624 ( -6.908 -0.327 -0.420) 6.929 1.692 ( 3.054 1.017 -3.223) 4.555 1.818 ( 1.883 1.959 -12.830) 13.115 1.841 ( 2.485 -2.017 -3.537) 4.770 1.977 ( -2.934 -4.433 12.034) 13.156 2.165 ( -4.768 4.546 -5.534) 8.604 2.267 ( -4.660 -0.257 0.225) 4.673 2.386 ( 3.305 -0.972 3.246) 4.734 2.425 ( -3.466 -5.365 2.860) 6.998 2.517 ( -0.813 0.124 2.541) 2.670 2.583 ( -1.984 -2.230 -2.746) 4.056 2.756 ( 7.435 0.881 -1.103) 7.567 2.810 ( 7.864 -0.781 -1.473) 8.038 3.000 ( 1.227 0.374 -2.185) 2.533 3.057 ( 1.959 3.318 -1.486) 4.129 3.186 ( -2.085 1.562 -6.743) 7.229 3.257 ( 2.196 -1.052 6.333) 6.785 3.324 ( -2.090 1.396 -0.854) 2.654 3.433 ( -2.112 0.335 8.486) 8.751 3.531 ( -1.560 0.705 0.832) 1.903 3.693 ( -0.980 -0.181 -3.208) 3.359 3.776 ( 0.818 2.548 3.485) 4.394 3.842 ( 3.099 -0.779 -1.153) 3.397 3.946 ( -6.637 1.101 -2.799) 7.286 4.146 ( -0.001 -0.707 3.862) 3.927 4.236 ( -8.042 1.528 0.070) 8.186 4.400 ( 0.306 1.309 -3.109) 3.387 4.608 ( 1.807 1.815 1.239) 2.845 4.721 ( -1.603 -0.125 0.591) 1.713 4.906 ( -3.557 0.561 -1.699) 3.982 4.922 ( -0.203 1.554 1.426) 2.119 5.055 ( 1.359 0.916 -1.776) 2.417 5.114 ( 3.002 1.524 12.260) 12.714 5.162 ( -14.107 0.837 0.359) 14.136 5.401 ( -0.505 -5.319 -3.321) 6.291 5.436 ( -3.999 4.860 0.207) 6.297 5.573 ( -5.802 -2.588 -4.481) 7.775 5.842 ( 4.206 1.326 0.599) 4.451 5.929 ( -1.497 -0.724 -1.642) 2.337 6.075 ( 4.623 2.152 1.717) 5.380 6.129 ( -0.813 -0.270 0.375) 0.935 6.294 ( 2.757 1.362 -2.530) 3.982 6.396 ( -2.055 1.145 0.407) 2.387 6.730 ( -2.951 -2.469 -4.230) 5.718 7.021 ( -3.499 1.798 1.177) 4.107 7.038 ( -3.615 3.190 5.694) 7.461 7.242 ( -4.874 1.829 0.264) 5.212 7.648 ( 2.045 -1.240 0.561) 2.456 7.750 ( 1.602 -5.209 -2.002) 5.806 8.517 ( 13.727 1.113 0.203) 13.773 8.599 ( -7.014 1.921 0.332) 7.279 9.039 ( -3.496 4.924 3.574) 7.017 9.328 ( 12.037 1.037 -15.402) 19.575 9.551 ( -4.899 -4.255 6.691) 9.320 9.961 ( -0.334 -0.190 -4.004) 4.022 10.341 ( -4.937 16.590 17.868) 24.877 10.587 ( -3.167 2.711 0.460) 4.194 10.650 ( -0.748 -2.200 2.816) 3.651 11.106 ( -5.905 1.241 -10.568) 12.169 11.401 ( -2.991 1.209 4.949) 5.908 11.897 ( 4.224 2.184 2.920) 5.580 12.327 ( 5.471 0.249 4.859) 7.322 12.804 ( -23.036 -6.613 -8.096) 25.297 13.198 ( 16.888 0.293 5.434) 17.743 13.828 ( -7.668 -2.004 -9.052) 12.031 ======================= Grid point 151 (60/138) ======================= q-point: ( 0.36 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 8.711 -5.856 4.459) 11.404 0.923 ( 4.797 -3.492 -0.450) 5.951 1.060 ( 3.574 -2.637 -1.805) 4.794 1.154 ( 8.313 -4.560 -4.167) 10.357 1.265 ( 2.631 -5.213 4.155) 7.167 1.340 ( -4.506 0.184 0.194) 4.514 1.487 ( 5.318 -1.395 3.116) 6.319 1.612 ( -3.047 -1.417 -2.379) 4.118 1.722 ( 5.248 -2.831 3.247) 6.790 1.787 ( 1.694 -0.497 -9.632) 9.792 1.871 ( 3.613 -0.241 -3.816) 5.260 2.057 ( -2.060 -0.879 4.059) 4.636 2.076 ( -4.216 -1.962 1.927) 5.033 2.243 ( -3.710 -0.379 -0.409) 3.752 2.397 ( -3.513 0.371 2.380) 4.260 2.446 ( -8.643 -3.511 0.085) 9.330 2.561 ( 0.301 -1.977 1.341) 2.408 2.624 ( 2.294 -2.250 2.592) 4.128 2.789 ( 5.605 0.928 -1.435) 5.859 2.868 ( 8.195 0.319 -1.997) 8.441 2.943 ( -1.426 7.560 2.122) 7.981 3.005 ( 0.900 -0.390 -2.494) 2.680 3.128 ( -2.894 0.773 -6.782) 7.413 3.264 ( -1.596 2.972 -1.818) 3.831 3.300 ( 0.481 -0.525 3.313) 3.389 3.421 ( -3.250 1.145 3.720) 5.071 3.498 ( 1.129 3.273 3.867) 5.191 3.663 ( -4.048 2.442 2.527) 5.361 3.732 ( -2.416 0.524 -0.557) 2.534 3.865 ( 1.833 0.462 -4.760) 5.122 3.931 ( 1.460 -2.932 0.411) 3.301 4.157 ( -1.567 -0.347 1.310) 2.072 4.191 ( -3.523 -1.190 2.577) 4.524 4.365 ( 0.897 1.673 -3.689) 4.148 4.584 ( 0.298 2.071 2.891) 3.569 4.710 ( -3.713 -0.826 -0.184) 3.808 4.850 ( -0.356 3.231 0.233) 3.259 4.899 ( -1.183 0.618 -0.973) 1.651 5.028 ( -2.901 0.946 3.674) 4.776 5.081 ( -4.015 -0.114 -2.890) 4.949 5.150 ( -0.323 -1.924 6.614) 6.896 5.351 ( -2.014 0.994 2.675) 3.493 5.505 ( 0.647 -4.854 -3.344) 5.930 5.587 ( -4.562 -3.683 -3.256) 6.706 5.852 ( 4.697 1.426 -1.113) 5.033 5.920 ( -2.355 0.124 -0.203) 2.367 6.070 ( 2.913 2.580 2.707) 4.740 6.107 ( 1.731 2.190 -0.317) 2.809 6.292 ( 1.108 0.487 -3.082) 3.312 6.329 ( -4.452 2.300 -0.966) 5.103 6.720 ( -2.184 3.027 5.631) 6.756 6.928 ( -4.361 0.929 -3.717) 5.804 7.029 ( -1.001 -0.633 0.449) 1.267 7.200 ( 0.298 1.134 1.656) 2.029 7.678 ( 1.863 -0.757 -1.671) 2.615 7.846 ( 0.070 -4.569 -0.668) 4.619 8.508 ( -2.131 3.754 -1.633) 4.615 8.576 ( 9.322 2.534 0.898) 9.702 8.935 ( -2.925 4.294 3.385) 6.201 9.319 ( 10.964 4.803 -13.643) 18.150 9.625 ( -4.833 -4.846 9.128) 11.409 9.903 ( -2.620 5.453 5.016) 7.859 10.169 ( -0.178 3.488 5.713) 6.696 10.478 ( -0.697 5.949 -5.197) 7.931 10.720 ( -0.686 -5.121 2.061) 5.563 10.999 ( 2.795 5.688 -8.740) 10.796 11.392 ( -5.747 -1.673 6.111) 8.554 11.863 ( 2.111 3.371 0.372) 3.995 12.311 ( -0.737 4.382 2.730) 5.215 12.680 ( -14.667 2.484 -4.134) 15.439 13.306 ( 5.495 -0.082 3.591) 6.565 13.809 ( -3.438 -2.811 -5.257) 6.881 ======================= Grid point 152 (61/138) ======================= q-point: ( 0.45 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 2.220 -0.250 0.571) 2.306 1.034 ( 1.294 -4.849 -3.497) 6.117 1.112 ( 2.031 -2.704 -1.328) 3.633 1.269 ( 0.176 -1.621 2.527) 3.008 1.340 ( 6.349 -2.840 -2.367) 7.347 1.459 ( 7.927 -7.613 5.151) 12.138 1.515 ( 3.606 0.503 0.772) 3.722 1.586 ( -2.188 0.861 -3.245) 4.007 1.802 ( 0.621 -2.526 -0.424) 2.635 1.847 ( 6.739 -0.847 -2.389) 7.200 1.902 ( 1.442 -3.088 -1.575) 3.754 2.064 ( -0.321 0.217 1.440) 1.491 2.108 ( -1.938 -3.485 3.510) 5.312 2.233 ( 2.903 0.356 -1.773) 3.420 2.394 ( -6.594 -4.001 3.209) 8.354 2.447 ( -8.476 -3.314 -0.635) 9.123 2.553 ( -4.207 2.840 0.946) 5.163 2.670 ( 0.989 -0.087 4.548) 4.655 2.776 ( 5.566 3.094 -1.700) 6.591 2.852 ( 0.379 1.736 -0.596) 1.874 2.897 ( 5.358 1.917 -0.313) 5.699 3.010 ( -2.771 -1.445 -4.040) 5.108 3.101 ( -0.926 -0.959 -1.018) 1.677 3.192 ( -1.164 2.734 -1.933) 3.545 3.298 ( -2.012 0.611 1.981) 2.889 3.364 ( -3.274 2.064 -0.766) 3.946 3.454 ( 0.675 3.018 4.420) 5.395 3.546 ( -4.853 5.309 -0.719) 7.229 3.736 ( -6.173 -2.664 0.798) 6.771 3.870 ( 4.025 0.120 -0.067) 4.028 4.009 ( 4.067 -2.327 -3.296) 5.729 4.135 ( -2.873 0.843 -2.256) 3.749 4.241 ( -0.116 -3.923 7.204) 8.204 4.346 ( 2.991 0.918 -2.282) 3.872 4.551 ( 0.772 2.491 2.341) 3.505 4.690 ( -5.755 -0.251 -0.170) 5.763 4.784 ( -0.717 3.457 1.241) 3.742 4.883 ( 0.727 0.671 -1.014) 1.417 5.030 ( 2.152 1.077 4.697) 5.277 5.072 ( -2.889 -3.942 -7.830) 9.230 5.215 ( -1.533 -4.376 2.804) 5.419 5.366 ( -0.468 -1.871 5.557) 5.882 5.556 ( 1.771 -1.061 -5.433) 5.812 5.625 ( -4.600 -4.073 -1.822) 6.408 5.855 ( 0.404 1.593 0.250) 1.662 5.870 ( 0.001 2.811 3.553) 4.531 6.044 ( 0.979 1.650 -0.004) 1.918 6.080 ( 1.785 2.570 2.811) 4.207 6.246 ( 0.429 2.815 -5.030) 5.780 6.288 ( -3.411 -0.227 0.512) 3.456 6.656 ( -1.801 2.632 5.724) 6.552 6.875 ( -2.355 1.885 -4.861) 5.721 7.050 ( -1.463 -1.868 1.469) 2.791 7.206 ( 3.144 0.076 -0.175) 3.150 7.698 ( 2.244 -0.442 -2.499) 3.388 7.915 ( -0.912 -3.370 -0.100) 3.492 8.424 ( -0.369 3.532 -2.044) 4.097 8.544 ( 5.265 6.750 0.320) 8.566 8.867 ( 0.905 3.007 2.173) 3.819 9.266 ( 7.440 4.908 -9.490) 13.019 9.688 ( -3.350 -2.702 10.333) 11.193 9.798 ( -4.212 4.253 9.064) 10.862 10.151 ( 0.479 -0.024 -4.639) 4.664 10.371 ( 2.933 4.770 -7.640) 9.472 10.820 ( -0.573 -4.848 3.329) 5.908 10.889 ( 1.865 6.490 -2.986) 7.383 11.402 ( -2.169 -1.390 -1.201) 2.842 11.822 ( -3.087 0.812 2.466) 4.033 12.188 ( -3.269 6.202 -1.961) 7.280 12.522 ( -5.730 5.923 2.996) 8.769 13.289 ( -1.165 2.666 -0.688) 2.990 13.868 ( 1.544 -4.411 -0.787) 4.739 ======================= Grid point 153 (62/138) ======================= q-point: ( 0.55 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 1.902 0.031 -0.002) 1.902 1.091 ( 1.829 -2.009 -4.785) 5.502 1.160 ( 0.639 -0.882 -1.528) 1.876 1.252 ( -2.106 2.287 4.206) 5.230 1.443 ( 3.769 -2.893 0.088) 4.752 1.517 ( 6.099 2.320 -2.903) 7.142 1.541 ( 0.458 2.314 2.311) 3.302 1.680 ( 7.777 -6.938 3.135) 10.883 1.811 ( -0.526 2.902 1.104) 3.149 1.876 ( 1.082 -0.961 -0.965) 1.739 1.968 ( -0.505 -2.352 -1.523) 2.847 2.053 ( 2.596 0.086 1.259) 2.886 2.187 ( 2.133 -3.353 -3.175) 5.087 2.279 ( 3.648 -0.505 3.052) 4.783 2.432 ( -4.574 -0.367 3.540) 5.796 2.448 ( -6.650 -3.758 -1.302) 7.749 2.460 ( -6.998 -2.992 0.546) 7.630 2.689 ( 6.775 1.336 -4.425) 8.201 2.770 ( 5.546 2.441 2.224) 6.454 2.817 ( -1.712 0.998 -3.293) 3.844 2.887 ( 0.702 0.745 3.312) 3.467 3.010 ( -6.169 -2.090 -0.344) 6.522 3.102 ( 0.925 1.545 -0.327) 1.830 3.178 ( -0.229 -1.832 -2.124) 2.814 3.267 ( -3.761 0.760 3.685) 5.320 3.303 ( -3.462 1.618 -0.328) 3.836 3.396 ( 2.140 5.449 0.406) 5.868 3.464 ( -5.502 -2.111 0.030) 5.893 3.738 ( -5.073 -2.322 -0.441) 5.597 3.912 ( 4.612 -0.538 2.697) 5.369 4.026 ( 2.806 2.676 -5.997) 7.141 4.106 ( -1.880 -1.177 -2.309) 3.202 4.320 ( -0.282 -2.570 3.346) 4.228 4.351 ( 2.099 1.923 1.524) 3.229 4.534 ( 1.659 0.633 3.071) 3.548 4.633 ( -3.240 2.357 1.410) 4.248 4.732 ( -0.015 1.476 -2.883) 3.239 4.860 ( 0.901 2.541 -0.211) 2.704 5.020 ( 0.049 1.074 1.006) 1.472 5.146 ( -0.521 -5.680 -5.655) 8.032 5.292 ( -1.883 -4.222 2.498) 5.255 5.410 ( -0.403 -1.366 2.723) 3.073 5.573 ( 3.153 -0.941 -3.724) 4.969 5.660 ( -4.023 -3.972 -0.921) 5.728 5.757 ( -2.525 4.525 5.839) 7.807 5.929 ( 3.869 -2.461 2.881) 5.415 5.965 ( 0.712 5.545 -0.743) 5.639 6.095 ( 0.723 -1.639 1.479) 2.323 6.204 ( 0.841 1.417 -3.510) 3.877 6.275 ( -3.670 -1.232 1.755) 4.250 6.620 ( -0.150 2.017 2.503) 3.218 6.808 ( -2.112 2.080 -4.809) 5.649 7.059 ( -2.311 0.474 4.513) 5.092 7.233 ( 4.087 -0.576 -3.719) 5.556 7.722 ( 3.039 -0.823 -2.018) 3.739 7.953 ( -2.177 -1.824 -0.675) 2.920 8.375 ( 1.746 1.666 -2.217) 3.277 8.433 ( 2.416 7.409 0.676) 7.822 8.826 ( 3.505 4.023 2.046) 5.714 9.200 ( 1.755 4.050 -5.719) 7.224 9.712 ( -2.866 2.039 11.062) 11.608 9.745 ( -4.168 -1.113 8.349) 9.397 10.156 ( 2.051 -1.627 -8.034) 8.449 10.292 ( 2.744 4.476 -8.904) 10.337 10.789 ( 0.881 4.662 0.617) 4.784 10.893 ( -2.023 -3.117 3.601) 5.175 11.370 ( 2.744 4.814 -7.075) 8.987 11.819 ( -7.713 -5.034 0.803) 9.246 12.076 ( -1.759 2.923 -0.643) 3.472 12.399 ( -2.034 5.169 3.104) 6.363 13.233 ( -0.198 2.532 3.834) 4.599 13.960 ( 2.321 -3.827 -1.728) 4.798 ======================= Grid point 154 (63/138) ======================= q-point: (-0.36 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 4.106 -1.023 1.029) 4.355 1.122 ( 3.052 0.284 -4.942) 5.816 1.154 ( 0.599 0.626 0.999) 1.323 1.174 ( -2.215 4.700 4.471) 6.854 1.466 ( 1.197 2.513 -4.277) 5.103 1.521 ( -1.842 -3.062 3.920) 5.305 1.543 ( 8.495 2.658 4.235) 9.857 1.706 ( -3.759 6.568 3.026) 8.150 1.819 ( 3.113 -0.850 1.282) 3.472 1.886 ( 1.298 -1.594 -3.318) 3.903 1.957 ( -2.058 2.151 -0.288) 2.991 2.084 ( 1.400 0.242 3.553) 3.826 2.256 ( 4.575 -3.921 -6.549) 8.899 2.276 ( -0.766 -0.160 -4.990) 5.051 2.426 ( -2.934 -0.979 -4.591) 5.535 2.498 ( -4.550 -5.909 2.668) 7.920 2.531 ( -0.754 -4.891 4.968) 7.012 2.687 ( 7.888 2.784 -7.006) 10.912 2.778 ( 2.297 0.737 2.218) 3.277 2.797 ( 4.261 2.016 5.314) 7.104 2.915 ( -2.306 -3.078 2.006) 4.338 2.970 ( -9.304 -0.281 -2.729) 9.700 3.087 ( 0.858 0.303 3.247) 3.372 3.173 ( -3.696 1.386 -1.670) 4.286 3.236 ( -3.522 -0.076 4.121) 5.422 3.295 ( 2.029 -0.932 2.038) 3.023 3.336 ( 2.088 2.317 -1.706) 3.555 3.506 ( -4.003 -5.170 0.071) 6.539 3.763 ( -2.016 -3.733 -1.548) 4.516 3.947 ( 3.457 2.317 -2.825) 5.030 3.975 ( 1.777 0.484 -1.466) 2.354 4.106 ( -2.368 0.012 -0.734) 2.479 4.288 ( 2.955 5.173 -1.907) 6.255 4.355 ( -1.507 0.256 2.047) 2.555 4.517 ( -3.615 -0.706 0.525) 3.720 4.597 ( -1.943 1.926 6.148) 6.729 4.691 ( 4.897 4.966 -5.196) 8.697 4.862 ( 1.215 -4.146 -0.942) 4.421 4.992 ( -1.163 1.785 1.011) 2.358 5.220 ( -0.704 -3.357 -2.986) 4.548 5.325 ( -2.571 0.006 3.832) 4.615 5.440 ( 0.401 -2.817 -1.869) 3.405 5.614 ( 2.477 -0.414 -0.481) 2.557 5.700 ( -0.813 -0.060 3.816) 3.903 5.729 ( -1.359 -3.503 -0.497) 3.790 5.848 ( 0.450 4.074 0.038) 4.099 6.039 ( 3.532 -3.089 0.708) 4.745 6.110 ( -0.822 1.367 0.365) 1.637 6.191 ( 0.894 -0.343 1.304) 1.618 6.300 ( -2.811 -3.723 0.203) 4.670 6.576 ( -0.600 3.214 3.254) 4.613 6.767 ( -0.614 -0.683 -4.526) 4.618 7.028 ( -2.098 1.891 5.341) 6.042 7.265 ( 3.741 -1.032 -5.593) 6.808 7.761 ( 4.028 -0.959 -1.080) 4.279 7.945 ( -3.591 0.120 -1.118) 3.763 8.330 ( 0.169 4.529 0.939) 4.628 8.366 ( 2.543 1.190 -3.371) 4.388 8.787 ( 5.295 3.551 3.750) 7.397 9.113 ( -3.403 3.550 -2.870) 5.694 9.665 ( -4.187 1.781 8.450) 9.597 9.771 ( -2.593 -1.172 9.080) 9.516 10.196 ( 1.679 4.102 -8.976) 10.011 10.208 ( 3.065 -2.950 -9.439) 10.354 10.729 ( -0.609 2.360 1.870) 3.072 10.925 ( -3.650 -1.930 -2.437) 4.794 11.276 ( 5.875 5.396 1.376) 8.095 11.897 ( -1.785 -6.419 -7.114) 9.747 12.046 ( -4.156 -1.305 4.797) 6.480 12.322 ( -2.051 1.153 -2.972) 3.790 13.220 ( 2.207 1.639 12.053) 12.362 14.023 ( 1.363 -2.300 -4.999) 5.669 ======================= Grid point 155 (64/138) ======================= q-point: (-0.27 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 2.005 2.974 4.684) 5.900 1.092 ( 6.560 5.048 -2.046) 8.526 1.127 ( -3.767 -3.643 0.471) 5.261 1.184 ( 3.314 -0.032 5.154) 6.128 1.403 ( 1.118 4.218 -4.770) 6.465 1.529 ( 0.856 4.656 3.853) 6.104 1.551 ( -8.461 5.082 8.877) 13.275 1.587 ( 1.867 -1.615 0.835) 2.606 1.778 ( 1.819 3.746 -1.914) 4.583 1.857 ( -2.936 3.625 -0.884) 4.748 1.957 ( 4.184 -1.050 -4.455) 6.201 2.110 ( -1.031 -2.217 2.029) 3.177 2.256 ( -0.220 -0.299 -8.881) 8.889 2.310 ( 0.871 -0.289 -10.753) 10.792 2.451 ( 2.857 -2.666 -1.213) 4.091 2.552 ( -6.005 -3.533 2.825) 7.518 2.622 ( 2.716 -0.332 4.492) 5.260 2.698 ( 5.837 -0.930 0.618) 5.943 2.776 ( -4.613 -1.988 0.908) 5.105 2.831 ( 7.896 1.284 9.048) 12.077 2.879 ( -3.955 1.102 -4.301) 5.946 2.991 ( -2.876 -5.103 -0.523) 5.881 3.088 ( -4.381 2.830 3.297) 6.170 3.140 ( 0.793 -2.723 1.787) 3.352 3.219 ( -1.517 0.784 -0.534) 1.790 3.324 ( 0.743 -0.020 0.813) 1.101 3.345 ( 3.080 -1.212 1.887) 3.810 3.565 ( -2.260 -2.975 0.665) 3.795 3.831 ( 1.327 -2.112 -4.266) 4.942 3.883 ( -0.849 1.457 -5.022) 5.297 3.997 ( 1.529 1.153 2.201) 2.918 4.084 ( -3.113 -1.837 -1.034) 3.760 4.232 ( 3.499 2.456 -2.418) 4.911 4.303 ( -2.482 1.792 -0.558) 3.112 4.490 ( -6.172 3.174 5.105) 8.616 4.579 ( 1.362 0.122 -0.646) 1.512 4.648 ( 3.944 -0.044 -0.683) 4.003 4.963 ( 0.572 0.556 1.189) 1.432 4.979 ( 2.505 -5.783 -4.140) 7.540 5.220 ( -0.389 2.300 -1.736) 2.908 5.329 ( -1.563 -1.809 4.172) 4.809 5.491 ( 1.275 -1.840 -2.191) 3.132 5.615 ( 1.832 1.437 0.876) 2.488 5.679 ( -1.532 2.179 3.694) 4.554 5.776 ( -0.370 -2.919 0.068) 2.944 5.864 ( -0.314 -3.587 -1.981) 4.110 6.035 ( -3.931 3.161 -0.451) 5.064 6.086 ( 2.715 0.718 -3.172) 4.236 6.216 ( 1.094 -0.362 2.167) 2.455 6.348 ( -0.743 -1.754 -2.013) 2.772 6.537 ( -2.315 0.182 10.187) 10.448 6.810 ( 1.133 -3.953 -2.646) 4.890 7.001 ( -1.689 0.479 4.553) 4.880 7.302 ( 3.144 -1.870 -7.381) 8.238 7.805 ( 5.739 -0.021 -0.167) 5.741 7.903 ( -4.783 0.589 -0.149) 4.821 8.276 ( 0.906 1.639 -1.218) 2.234 8.324 ( -2.026 3.164 -2.578) 4.556 8.815 ( 7.889 -0.560 4.424) 9.062 9.015 ( -6.117 2.538 -0.865) 6.679 9.635 ( -3.069 0.436 7.082) 7.731 9.783 ( -3.162 -0.068 9.634) 10.140 10.105 ( 1.433 3.580 -8.573) 9.400 10.285 ( 3.343 -4.225 -10.465) 11.771 10.704 ( -1.087 -0.030 1.328) 1.716 10.892 ( -4.105 0.245 -9.671) 10.509 11.310 ( 7.577 -0.988 14.321) 16.232 11.924 ( -1.406 0.883 -3.912) 4.250 12.108 ( 0.009 -5.836 -0.084) 5.836 12.334 ( -4.456 -6.891 -10.482) 13.312 13.257 ( 3.303 0.491 19.317) 19.603 14.045 ( 0.043 -1.443 -8.609) 8.729 ======================= Grid point 156 (65/138) ======================= q-point: (-0.18 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 1.176 5.161 2.920) 6.045 1.073 ( 6.408 3.523 1.397) 7.445 1.156 ( -0.982 -0.435 -0.124) 1.081 1.186 ( -1.225 4.257 3.281) 5.512 1.316 ( 1.713 3.996 -0.307) 4.359 1.372 ( -1.048 8.425 2.153) 8.759 1.462 ( -3.400 3.059 5.231) 6.948 1.626 ( -3.946 -3.080 1.186) 5.145 1.703 ( 1.796 6.009 -1.108) 6.369 1.837 ( 4.820 -1.298 -2.089) 5.411 1.962 ( -0.143 0.664 -3.219) 3.289 2.139 ( -2.298 -1.681 -1.174) 3.079 2.222 ( -6.207 0.790 -11.481) 13.076 2.284 ( 4.048 0.669 -7.662) 8.692 2.511 ( 5.619 0.362 2.468) 6.148 2.567 ( -5.623 -1.964 -0.590) 5.986 2.614 ( 2.446 2.058 4.651) 5.644 2.733 ( -0.123 0.740 6.151) 6.196 2.810 ( -2.501 -0.437 0.043) 2.539 2.864 ( -1.448 -4.193 0.951) 4.536 2.899 ( 3.967 -0.199 5.968) 7.169 3.016 ( -2.009 1.682 1.033) 2.817 3.061 ( -1.680 -4.101 -1.709) 4.750 3.155 ( 0.714 2.345 -3.109) 3.959 3.228 ( -0.135 -2.781 -1.505) 3.165 3.352 ( 1.008 -1.833 5.541) 5.923 3.385 ( 1.674 -1.364 0.103) 2.162 3.586 ( -2.125 -1.216 0.263) 2.463 3.759 ( 0.011 4.739 -1.241) 4.899 3.905 ( 0.928 0.030 -3.248) 3.378 3.997 ( -1.644 -1.661 0.888) 2.500 4.124 ( 2.428 -2.068 -3.830) 4.985 4.228 ( -1.602 -1.773 1.907) 3.057 4.316 ( 0.935 -3.983 -1.370) 4.315 4.402 ( -6.286 1.208 1.595) 6.596 4.561 ( 6.070 2.707 -3.576) 7.547 4.735 ( 1.004 -4.649 7.014) 8.475 4.988 ( 1.732 -1.780 -1.465) 2.884 5.047 ( 1.007 -0.848 -5.384) 5.542 5.146 ( -2.028 3.897 -3.341) 5.519 5.372 ( 0.278 -1.381 6.298) 6.454 5.509 ( 1.792 0.283 -4.118) 4.500 5.598 ( 3.988 1.835 0.765) 4.456 5.652 ( -5.637 -0.065 0.544) 5.664 5.818 ( 0.485 -1.510 0.992) 1.870 5.887 ( -2.778 -0.181 0.765) 2.887 5.964 ( -1.382 0.911 -3.336) 3.724 6.084 ( 1.306 -0.506 -4.601) 4.810 6.230 ( 1.226 0.149 3.570) 3.778 6.343 ( -0.887 0.295 -1.024) 1.387 6.576 ( -2.791 -2.224 12.632) 13.127 6.888 ( 0.461 -3.835 -1.172) 4.036 7.014 ( -0.509 -1.666 3.100) 3.556 7.338 ( 0.409 -2.503 -9.413) 9.748 7.824 ( 2.338 2.327 2.347) 4.048 7.890 ( -0.385 -2.355 -0.629) 2.468 8.224 ( -5.361 3.044 -1.291) 6.299 8.288 ( 6.618 -0.511 -2.608) 7.132 8.898 ( -7.133 -3.199 3.020) 8.381 8.956 ( 7.123 0.994 0.717) 7.228 9.640 ( -2.501 -1.186 7.705) 8.187 9.782 ( -2.444 0.202 11.573) 11.830 10.056 ( 2.560 1.457 -7.496) 8.054 10.357 ( 2.399 -4.270 -12.288) 13.228 10.720 ( 0.558 -1.469 0.783) 1.756 10.844 ( -3.380 -0.690 -8.821) 9.472 11.429 ( 6.015 -1.708 16.821) 17.946 11.871 ( -4.162 1.049 -3.998) 5.866 12.222 ( 1.245 -5.823 0.557) 5.981 12.458 ( -1.603 -11.468 -15.521) 19.365 13.331 ( 1.311 -0.994 22.844) 22.903 14.049 ( -0.904 -2.075 -11.605) 11.824 ======================= Grid point 157 (66/138) ======================= q-point: (-0.09 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.673 6.800 -0.376) 6.843 0.914 ( -1.514 14.427 -2.967) 14.807 1.038 ( 4.396 8.328 2.862) 9.842 1.219 ( -1.601 3.700 -6.711) 7.829 1.232 ( 0.252 -2.524 6.398) 6.883 1.277 ( 3.708 7.093 11.505) 14.015 1.449 ( 2.747 -0.658 -0.546) 2.877 1.586 ( -4.786 3.263 0.538) 5.818 1.679 ( 2.443 -1.595 2.013) 3.544 1.862 ( 2.176 2.574 -6.051) 6.926 1.976 ( 1.328 -3.921 0.082) 4.141 2.097 ( -12.124 1.271 -10.452) 16.058 2.143 ( 1.317 1.236 -0.855) 1.998 2.283 ( 5.956 1.931 -8.325) 10.417 2.502 ( -2.908 4.533 3.194) 6.262 2.546 ( 4.155 1.870 2.653) 5.272 2.621 ( 1.399 0.606 5.440) 5.649 2.718 ( -1.058 1.517 2.641) 3.225 2.770 ( -3.539 1.955 -1.140) 4.201 2.852 ( -6.080 2.046 -1.472) 6.581 2.937 ( -5.440 -3.673 3.710) 7.540 3.041 ( 2.686 -2.020 1.557) 3.704 3.100 ( -1.562 -0.217 -2.370) 2.847 3.136 ( 4.098 -1.821 2.285) 5.033 3.257 ( 1.004 -0.566 -4.215) 4.369 3.416 ( 0.559 -2.624 4.049) 4.857 3.457 ( 3.493 -4.583 1.072) 5.862 3.599 ( -2.700 -2.310 0.758) 3.634 3.697 ( 1.623 2.798 1.652) 3.632 3.886 ( -0.269 1.029 -2.824) 3.018 4.006 ( -2.042 -0.870 -0.631) 2.308 4.161 ( 4.801 0.259 -2.302) 5.331 4.281 ( -3.424 -4.263 1.919) 5.794 4.353 ( -6.071 -2.006 0.146) 6.396 4.441 ( 3.836 -5.377 -1.547) 6.784 4.575 ( 6.515 -0.355 -1.643) 6.728 4.839 ( -0.079 -4.009 7.413) 8.428 5.015 ( -3.610 0.291 -4.011) 5.404 5.024 ( 4.750 3.855 -1.349) 6.264 5.047 ( -5.288 -0.075 -4.094) 6.688 5.382 ( -0.405 1.794 2.477) 3.085 5.468 ( -2.363 2.758 -5.256) 6.389 5.603 ( -3.645 -0.365 -2.922) 4.686 5.619 ( 4.670 -0.186 0.433) 4.693 5.851 ( -1.337 0.566 1.345) 1.979 5.890 ( 0.863 -2.460 2.145) 3.376 5.951 ( 0.242 -0.275 -0.536) 0.650 6.085 ( 0.748 0.155 -5.513) 5.566 6.260 ( 0.812 -1.475 4.137) 4.466 6.337 ( -0.859 -0.841 -1.279) 1.756 6.624 ( -2.519 -2.357 13.157) 13.602 6.951 ( 0.215 -2.926 0.699) 3.016 7.055 ( 0.200 -1.693 1.639) 2.365 7.355 ( -4.002 -3.311 -9.497) 10.825 7.780 ( -3.337 2.348 3.086) 5.116 7.931 ( 1.960 0.140 -3.584) 4.088 8.167 ( 0.761 -0.139 0.042) 0.775 8.394 ( 12.637 -4.218 -1.738) 13.435 8.861 ( -12.851 -2.806 1.176) 13.206 9.045 ( 9.723 -0.860 0.924) 9.804 9.673 ( -3.079 -2.100 9.581) 10.280 9.814 ( -0.779 -2.132 15.065) 15.235 10.038 ( 2.668 1.116 -6.386) 7.011 10.432 ( 1.804 -5.484 -11.592) 12.950 10.744 ( 1.337 1.026 1.067) 1.994 10.849 ( -0.733 -4.705 -9.245) 10.400 11.524 ( 2.705 -1.220 14.691) 14.987 11.817 ( -3.957 0.145 -6.004) 7.192 12.337 ( -4.581 -6.763 1.710) 8.346 12.637 ( 6.241 -9.031 -12.435) 16.587 13.392 ( -5.287 -0.986 20.590) 21.280 14.061 ( -1.618 -3.167 -13.471) 13.933 ======================= Grid point 161 (67/138) ======================= q-point: ( 0.27 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 8.232 0.000 -6.134) 10.266 0.872 ( 7.815 0.000 1.897) 8.042 0.984 ( 5.249 0.000 2.273) 5.720 1.059 ( 10.318 0.000 11.781) 15.660 1.240 ( 2.542 0.000 -9.501) 9.835 1.347 ( -10.198 -0.000 -5.038) 11.375 1.370 ( 14.374 0.000 12.716) 19.192 1.596 ( -3.961 -0.000 0.661) 4.015 1.692 ( -3.220 -0.000 5.016) 5.960 1.784 ( 5.446 0.000 -17.003) 17.854 1.884 ( 3.491 0.000 0.048) 3.491 1.935 ( -4.001 -0.000 6.024) 7.232 2.143 ( -7.983 -0.000 -5.823) 9.881 2.218 ( -8.151 -0.000 -1.068) 8.221 2.342 ( -1.872 -0.000 -0.017) 1.872 2.421 ( 0.240 0.000 7.233) 7.237 2.517 ( -3.876 -0.000 -3.680) 5.345 2.563 ( 7.048 0.000 1.939) 7.310 2.838 ( 7.488 0.000 0.263) 7.493 2.852 ( 12.047 0.000 -3.455) 12.533 2.994 ( -0.272 -0.000 -3.565) 3.575 3.112 ( 3.051 0.000 -2.752) 4.109 3.196 ( 1.674 0.000 -8.255) 8.422 3.247 ( -3.915 -0.000 12.215) 12.827 3.320 ( -1.713 -0.000 -1.264) 2.129 3.443 ( -2.129 -0.000 8.227) 8.498 3.542 ( 2.289 0.000 0.970) 2.486 3.663 ( -2.905 -0.000 -6.035) 6.698 3.819 ( 0.401 0.000 -0.313) 0.509 3.850 ( 2.311 0.000 4.659) 5.201 3.902 ( -6.183 -0.000 -2.373) 6.623 4.149 ( -0.974 -0.000 3.802) 3.925 4.198 ( -7.588 -0.000 3.232) 8.248 4.395 ( -1.779 -0.000 -3.931) 4.315 4.651 ( 2.344 0.000 1.852) 2.987 4.703 ( -4.007 -0.000 1.926) 4.445 4.872 ( -4.474 -0.000 -1.391) 4.685 4.927 ( -2.250 -0.000 0.352) 2.278 5.030 ( -15.355 -0.000 -1.674) 15.446 5.077 ( -1.843 -0.000 -6.632) 6.883 5.194 ( 1.963 0.000 14.756) 14.886 5.328 ( 1.218 0.000 1.360) 1.825 5.492 ( -2.231 -0.000 -6.825) 7.181 5.496 ( -2.680 -0.000 -0.663) 2.760 5.872 ( -4.261 -0.000 -6.471) 7.748 5.886 ( 2.064 0.000 0.697) 2.178 6.113 ( -1.191 -0.000 5.935) 6.054 6.139 ( 4.466 0.000 2.557) 5.147 6.318 ( -3.193 -0.000 -0.311) 3.208 6.415 ( 3.129 0.000 -1.989) 3.708 6.658 ( 0.663 0.000 -8.430) 8.456 7.014 ( -1.109 -0.000 0.199) 1.127 7.068 ( -8.050 -0.000 7.665) 11.115 7.226 ( -3.029 -0.000 0.341) 3.048 7.657 ( 2.205 0.000 2.826) 3.585 7.710 ( 3.871 0.000 -3.737) 5.380 8.576 ( -4.564 -0.000 -0.151) 4.567 8.612 ( 9.698 0.000 1.697) 9.845 9.075 ( -4.553 -0.000 4.350) 6.297 9.315 ( -2.275 -0.000 -1.148) 2.548 9.534 ( 7.186 0.000 -7.693) 10.527 9.942 ( -0.023 -0.000 -5.131) 5.131 10.539 ( -3.948 -0.000 -0.888) 4.047 10.540 ( -13.974 -0.000 13.832) 19.662 10.654 ( 0.357 0.000 5.228) 5.240 10.988 ( -6.477 -0.000 -3.212) 7.229 11.440 ( -0.879 -0.000 1.050) 1.370 11.982 ( 7.499 0.000 7.707) 10.753 12.410 ( 8.357 0.000 4.440) 9.464 12.528 ( -19.105 -0.000 -14.680) 24.093 13.338 ( 14.843 0.000 5.751) 15.918 13.729 ( -7.576 -0.000 -8.438) 11.340 ======================= Grid point 162 (68/138) ======================= q-point: ( 0.36 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 9.609 -3.827 -1.786) 10.496 0.945 ( 5.718 -1.285 -3.343) 6.747 1.051 ( 4.685 -1.886 3.485) 6.136 1.146 ( 6.637 -1.709 6.016) 9.119 1.238 ( 2.721 0.321 0.898) 2.883 1.297 ( -1.186 -1.471 -3.575) 4.044 1.515 ( 7.328 -0.670 4.271) 8.508 1.584 ( 0.991 -1.382 3.591) 3.973 1.704 ( -0.140 -2.039 4.364) 4.819 1.775 ( 0.319 0.827 -12.137) 12.169 1.868 ( -1.427 -0.293 0.936) 1.732 1.974 ( -1.255 -3.392 1.913) 4.092 2.078 ( -2.948 0.083 -4.481) 5.365 2.179 ( -5.278 -1.488 1.828) 5.781 2.335 ( -6.375 -0.540 -2.862) 7.009 2.391 ( -5.470 -0.009 1.558) 5.688 2.528 ( 0.624 -1.712 0.009) 1.822 2.630 ( 6.665 -1.178 1.257) 6.884 2.865 ( 8.211 2.136 -2.454) 8.832 2.936 ( 9.742 0.342 -2.570) 10.081 2.986 ( -0.781 0.090 -1.576) 1.761 3.083 ( 0.790 4.171 -0.884) 4.337 3.129 ( -1.072 3.435 -2.664) 4.477 3.279 ( -2.362 0.052 2.505) 3.443 3.299 ( -0.535 -0.341 1.525) 1.652 3.433 ( -2.859 1.050 4.634) 5.545 3.558 ( 3.296 1.137 2.239) 4.144 3.630 ( -5.297 -0.736 -1.450) 5.541 3.762 ( -3.902 3.872 -3.666) 6.607 3.884 ( 0.032 -0.737 3.135) 3.221 3.894 ( 3.045 -1.396 0.449) 3.380 4.144 ( -2.453 -0.158 1.731) 3.006 4.153 ( -4.761 0.075 4.671) 6.670 4.375 ( -0.344 0.112 -3.623) 3.641 4.636 ( -0.458 2.522 3.241) 4.132 4.670 ( -5.884 -0.011 0.300) 5.892 4.831 ( -6.036 0.193 -3.296) 6.880 4.911 ( -1.302 -0.034 -0.456) 1.380 4.933 ( -11.640 -2.870 -1.495) 12.081 5.069 ( 0.775 -0.668 -4.683) 4.794 5.210 ( 0.511 2.616 13.614) 13.872 5.395 ( -2.046 3.791 0.285) 4.317 5.405 ( 2.667 -4.271 -1.485) 5.250 5.504 ( -1.439 -1.900 -3.545) 4.271 5.867 ( -0.716 -2.315 -2.602) 3.555 5.901 ( -0.090 -0.315 -1.174) 1.218 6.123 ( -1.405 -0.117 5.187) 5.375 6.155 ( 4.305 2.224 2.761) 5.577 6.277 ( -4.232 0.472 -1.212) 4.427 6.375 ( 1.611 4.291 -4.018) 6.095 6.716 ( 3.456 -3.480 -4.219) 6.469 6.948 ( -7.848 4.915 4.936) 10.494 7.023 ( -0.483 -0.055 -0.200) 0.526 7.212 ( -0.802 0.241 0.578) 1.017 7.685 ( 2.870 -0.483 -0.210) 2.918 7.767 ( 1.567 -3.673 -0.878) 4.088 8.534 ( -2.721 1.737 1.000) 3.380 8.671 ( 6.401 0.248 -0.731) 6.447 8.998 ( -3.072 4.761 4.545) 7.264 9.352 ( -1.463 -3.812 -2.429) 4.751 9.564 ( 4.777 -0.240 -4.957) 6.888 9.944 ( 0.817 -0.676 -4.604) 4.724 10.328 ( -6.587 11.533 12.992) 18.580 10.515 ( -6.244 0.454 -0.543) 6.284 10.657 ( -0.091 -0.445 2.498) 2.539 11.001 ( -2.696 -3.037 -7.123) 8.199 11.402 ( -0.761 2.837 5.728) 6.437 11.993 ( 6.602 6.016 3.285) 9.516 12.348 ( -7.828 1.254 -5.430) 9.609 12.537 ( -5.111 -4.460 -1.555) 6.959 13.411 ( 8.945 3.180 3.711) 10.193 13.701 ( -4.368 -3.899 -5.695) 8.168 ======================= Grid point 163 (69/138) ======================= q-point: ( 0.45 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 2.832 -3.282 -4.951) 6.581 1.007 ( 6.194 -0.928 4.436) 7.675 1.092 ( 2.545 -1.006 -0.051) 2.737 1.236 ( 1.259 -2.659 0.137) 2.945 1.315 ( 5.033 -3.420 1.352) 6.233 1.378 ( 6.599 -6.511 5.569) 10.814 1.550 ( 3.805 0.039 -0.279) 3.815 1.583 ( -1.568 1.339 -1.868) 2.782 1.751 ( -0.657 -1.818 -3.334) 3.854 1.817 ( 4.908 -5.295 2.721) 7.715 1.881 ( -2.453 -1.818 -0.002) 3.054 2.009 ( -1.341 -1.732 -1.846) 2.865 2.107 ( 5.773 -1.806 0.843) 6.108 2.209 ( -5.892 -4.918 4.157) 8.728 2.259 ( -7.967 0.281 -5.982) 9.966 2.380 ( -3.413 -0.839 1.380) 3.776 2.547 ( -2.188 -0.426 -2.014) 3.004 2.693 ( 3.356 -0.604 3.404) 4.818 2.866 ( 6.502 2.550 -4.664) 8.399 2.904 ( -3.003 3.899 1.093) 5.042 2.988 ( 8.313 2.642 0.904) 8.769 3.007 ( -0.614 3.344 -4.216) 5.416 3.089 ( 0.908 0.408 0.843) 1.304 3.225 ( -2.171 2.524 -2.904) 4.418 3.310 ( -1.567 0.516 4.924) 5.193 3.381 ( -2.049 2.463 -1.519) 3.546 3.523 ( -2.070 4.030 2.973) 5.419 3.612 ( -2.851 2.717 1.354) 4.164 3.657 ( -5.172 -0.300 -1.251) 5.329 3.902 ( 3.316 0.409 1.342) 3.600 3.962 ( 2.119 -3.613 -1.777) 4.550 4.108 ( -4.943 0.033 -1.838) 5.273 4.191 ( -0.280 -3.155 7.367) 8.019 4.369 ( 1.789 0.341 -3.300) 3.769 4.590 ( -2.034 1.954 3.663) 4.623 4.633 ( -5.768 -0.888 -0.297) 5.844 4.793 ( -3.873 -1.541 -3.608) 5.512 4.902 ( 0.270 0.770 -0.135) 0.827 4.963 ( -1.373 -4.676 -3.037) 5.742 5.071 ( -0.913 0.415 -1.714) 1.986 5.181 ( -0.598 1.540 8.978) 9.128 5.357 ( 0.421 -0.217 3.727) 3.757 5.515 ( -1.147 -4.748 -0.781) 4.947 5.521 ( 1.003 -2.087 -3.845) 4.488 5.887 ( 0.369 0.882 -0.670) 1.168 5.894 ( -0.866 -0.046 0.672) 1.097 6.109 ( -2.551 2.165 5.320) 6.285 6.127 ( 1.859 2.765 2.647) 4.255 6.255 ( -1.572 -0.366 -2.644) 3.097 6.298 ( 1.251 3.357 -6.554) 7.469 6.715 ( -2.136 3.914 5.256) 6.893 6.871 ( -1.155 0.165 -3.235) 3.438 7.028 ( 0.605 -0.634 0.204) 0.900 7.211 ( 0.210 -0.493 0.004) 0.536 7.712 ( 3.658 -0.092 -1.678) 4.026 7.840 ( -1.025 -3.837 0.491) 4.001 8.482 ( 0.024 2.813 0.297) 2.829 8.669 ( 1.298 3.303 -1.289) 3.776 8.920 ( 0.884 3.128 2.368) 4.022 9.361 ( 3.282 1.924 -12.666) 13.225 9.611 ( -2.397 -3.844 7.064) 8.392 9.918 ( 1.604 5.313 4.504) 7.147 10.160 ( -3.601 3.975 4.332) 6.895 10.449 ( -0.556 3.114 -3.444) 4.676 10.710 ( -1.808 -5.278 1.926) 5.902 10.986 ( 1.262 2.343 -9.213) 9.590 11.374 ( -2.197 0.659 9.662) 9.930 11.900 ( 2.625 7.033 -0.688) 7.538 12.249 ( -6.244 3.358 -3.835) 8.061 12.529 ( -6.016 0.670 0.851) 6.113 13.376 ( 3.803 4.927 0.610) 6.253 13.774 ( -0.168 -5.751 -1.719) 6.005 ======================= Grid point 164 (70/138) ======================= q-point: ( 0.55 0.27 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 3.067 -0.396 -0.011) 3.092 1.049 ( 1.636 -1.713 -2.030) 3.120 1.140 ( 1.466 -1.663 2.421) 3.282 1.262 ( -1.488 -0.340 2.972) 3.342 1.429 ( 5.432 -2.648 -1.926) 6.343 1.558 ( 1.985 -1.379 -0.203) 2.426 1.571 ( 0.625 -0.634 2.811) 2.949 1.591 ( 6.977 -6.847 0.119) 9.776 1.795 ( -0.764 -2.591 0.921) 2.854 1.888 ( -2.373 -0.937 0.850) 2.689 1.931 ( 4.941 -1.795 -1.888) 5.586 2.048 ( 3.212 -3.322 -1.313) 4.803 2.161 ( 0.974 0.050 -6.400) 6.474 2.247 ( -2.177 -4.911 0.142) 5.374 2.271 ( -6.226 -4.987 3.279) 8.625 2.372 ( -4.156 -0.655 0.945) 4.312 2.477 ( -5.111 3.445 1.571) 6.360 2.722 ( 1.308 -0.833 0.836) 1.762 2.834 ( 1.071 2.540 -2.739) 3.886 2.867 ( 6.548 2.232 -0.129) 6.919 2.943 ( -2.942 0.949 -0.946) 3.233 2.973 ( 4.775 4.240 1.372) 6.531 3.118 ( 1.640 -1.841 0.252) 2.478 3.156 ( -1.927 2.066 -3.710) 4.663 3.277 ( -3.385 1.991 5.147) 6.474 3.322 ( -0.547 2.733 -1.645) 3.237 3.430 ( -5.489 2.009 1.465) 6.026 3.518 ( 1.101 5.383 0.427) 5.511 3.660 ( -4.620 -2.022 1.600) 5.291 3.934 ( 3.630 -0.722 0.876) 3.803 4.030 ( 1.340 -2.755 -3.348) 4.538 4.063 ( -4.482 0.272 -5.691) 7.249 4.269 ( -0.871 -3.253 7.295) 8.034 4.377 ( 2.141 -0.245 -1.268) 2.500 4.555 ( -2.330 1.070 3.292) 4.172 4.620 ( -3.049 -0.753 0.404) 3.167 4.791 ( 1.697 1.607 -0.870) 2.494 4.887 ( 0.524 0.557 -1.592) 1.766 5.021 ( -1.079 -0.436 -2.948) 3.169 5.067 ( 1.438 -3.207 -1.055) 3.670 5.211 ( -0.468 -3.024 3.411) 4.582 5.389 ( -0.455 -1.309 3.877) 4.118 5.537 ( -1.803 -2.800 -1.242) 3.554 5.589 ( 1.801 -1.731 -3.476) 4.280 5.846 ( -2.109 4.742 5.634) 7.660 5.894 ( 0.005 -2.527 2.521) 3.570 6.062 ( 0.518 2.796 0.989) 3.010 6.099 ( -1.011 1.481 3.931) 4.321 6.221 ( -0.250 1.482 -3.991) 4.265 6.259 ( 0.487 0.972 -3.853) 4.003 6.652 ( -1.424 2.034 3.164) 4.022 6.832 ( -0.381 2.599 -5.286) 5.903 7.053 ( 0.184 -0.776 2.751) 2.864 7.232 ( 1.017 -1.257 -1.586) 2.265 7.736 ( 4.041 -0.087 -1.405) 4.280 7.891 ( -2.514 -2.870 -0.274) 3.825 8.438 ( 3.452 3.156 -0.541) 4.709 8.569 ( -2.312 5.956 -0.272) 6.395 8.895 ( 2.729 2.125 1.056) 3.616 9.289 ( 2.417 4.476 -12.704) 13.684 9.685 ( -3.700 -3.781 9.926) 11.248 9.816 ( -0.486 7.164 13.404) 15.206 10.125 ( -0.144 -0.845 -5.874) 5.936 10.379 ( 2.676 4.316 -6.273) 8.071 10.802 ( -2.964 -4.948 2.435) 6.261 10.903 ( 2.163 5.342 -4.149) 7.101 11.399 ( 0.621 -2.153 2.901) 3.666 11.772 ( -4.331 5.784 -0.497) 7.243 12.135 ( -1.202 4.402 -2.303) 5.111 12.446 ( -6.323 3.032 -0.988) 7.082 13.323 ( 4.258 4.049 5.649) 8.151 13.876 ( 0.123 -5.446 -2.876) 6.160 ======================= Grid point 165 (71/138) ======================= q-point: ( 0.64 0.27 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 2.245 -0.198 1.492) 2.702 1.103 ( 1.652 -2.391 -3.666) 4.678 1.186 ( 3.558 -0.712 3.554) 5.079 1.236 ( -2.810 2.297 5.036) 6.207 1.463 ( -0.236 -0.307 -3.470) 3.492 1.542 ( 2.109 2.611 -0.771) 3.444 1.615 ( 3.318 -0.801 3.778) 5.092 1.780 ( 2.183 -4.669 -0.389) 5.169 1.795 ( 1.092 0.427 2.145) 2.444 1.871 ( -1.325 1.306 1.585) 2.444 1.972 ( 2.071 -0.201 -1.015) 2.316 2.121 ( 0.647 1.932 -0.235) 2.051 2.173 ( 0.781 -5.562 -7.006) 8.980 2.244 ( -5.179 -0.082 -4.843) 7.091 2.330 ( -6.390 -5.222 2.103) 8.516 2.359 ( -4.734 -2.827 -2.073) 5.891 2.490 ( 5.280 -3.031 5.559) 8.244 2.740 ( -0.529 -1.289 -4.012) 4.247 2.803 ( 2.569 2.255 -2.148) 4.037 2.885 ( 5.473 1.163 2.732) 6.226 2.905 ( -3.547 0.464 -0.240) 3.586 2.925 ( 2.146 3.689 4.299) 6.057 3.111 ( -0.164 1.068 -0.843) 1.371 3.156 ( -0.732 -1.064 -2.462) 2.781 3.228 ( -4.077 1.694 4.723) 6.465 3.288 ( 1.201 -0.668 0.686) 1.536 3.398 ( -1.581 0.829 1.048) 2.070 3.446 ( 1.978 2.229 2.650) 3.988 3.676 ( -2.880 -2.905 -0.552) 4.128 3.967 ( -1.495 -0.543 -2.234) 2.743 3.997 ( 0.923 1.816 -6.380) 6.697 4.079 ( -0.265 -1.831 -1.542) 2.408 4.329 ( -1.262 -2.357 4.934) 5.612 4.375 ( 1.382 2.175 -0.018) 2.577 4.520 ( -1.654 1.867 2.028) 3.214 4.615 ( -2.677 -0.129 2.681) 3.790 4.769 ( 4.516 1.743 -1.554) 5.084 4.848 ( -1.590 3.195 -3.069) 4.707 5.014 ( 0.231 -0.520 0.394) 0.693 5.145 ( 1.174 -3.297 -2.336) 4.208 5.281 ( -0.460 -3.674 1.862) 4.144 5.396 ( -1.935 -0.706 0.003) 2.059 5.605 ( 2.683 -2.366 -1.662) 3.944 5.615 ( -1.575 -4.051 -0.562) 4.382 5.758 ( -1.210 3.885 6.277) 7.480 5.966 ( 0.191 6.082 -0.841) 6.143 5.994 ( 2.235 -4.353 5.173) 7.120 6.109 ( -0.464 -1.279 2.219) 2.603 6.198 ( 0.480 0.367 -2.546) 2.616 6.241 ( -1.193 -0.100 -0.178) 1.210 6.619 ( -1.025 1.720 0.121) 2.005 6.767 ( 0.388 2.086 -6.239) 6.590 7.054 ( -1.734 1.196 5.154) 5.568 7.261 ( 2.089 -1.258 -3.666) 4.403 7.770 ( 4.057 -0.753 -0.406) 4.146 7.906 ( -3.333 -1.277 -1.922) 4.054 8.393 ( -0.247 4.329 1.528) 4.597 8.461 ( 2.790 4.186 -2.944) 5.828 8.869 ( 1.045 2.647 3.566) 4.562 9.182 ( 0.276 5.279 -8.355) 9.887 9.708 ( -4.460 2.370 10.365) 11.530 9.753 ( -1.250 0.251 11.332) 11.403 10.150 ( 2.414 -2.642 -8.119) 8.873 10.289 ( 2.845 5.608 -9.212) 11.153 10.803 ( 0.788 4.364 1.031) 4.552 10.865 ( -2.826 -1.837 1.258) 3.598 11.426 ( 7.655 4.081 -2.974) 9.171 11.695 ( -8.772 -5.606 -1.604) 10.533 12.067 ( 0.058 2.923 1.682) 3.373 12.339 ( -4.824 3.151 -4.255) 7.162 13.318 ( 5.175 2.660 13.155) 14.384 13.952 ( -1.083 -4.025 -6.265) 7.525 ======================= Grid point 166 (72/138) ======================= q-point: (-0.27 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.520 -2.475 0.351) 2.553 1.097 ( -1.287 2.278 -0.942) 2.781 1.194 ( 1.663 1.985 1.824) 3.167 1.233 ( 6.033 0.782 7.097) 9.347 1.447 ( -2.097 0.055 -4.006) 4.522 1.497 ( -2.038 2.111 0.123) 2.937 1.612 ( -4.763 3.836 6.668) 9.048 1.715 ( 5.233 4.905 4.194) 8.308 1.841 ( 0.927 1.872 2.085) 2.951 1.893 ( -1.453 -0.641 -3.000) 3.394 1.951 ( 2.040 0.402 -1.932) 2.838 2.063 ( -4.454 1.087 -1.823) 4.933 2.198 ( -2.934 -2.590 -9.080) 9.888 2.285 ( -0.156 -2.081 -5.596) 5.973 2.395 ( -4.288 -5.307 -0.352) 6.832 2.412 ( 2.456 -5.518 0.454) 6.057 2.608 ( 3.765 -3.929 6.044) 8.133 2.734 ( -5.770 2.550 -2.928) 6.955 2.760 ( 4.234 -0.143 -3.082) 5.239 2.844 ( -4.879 1.060 -2.012) 5.383 2.910 ( 1.903 -1.117 1.296) 2.559 2.953 ( 7.564 1.058 8.732) 11.601 3.089 ( -4.247 1.218 -0.247) 4.425 3.144 ( 1.842 0.361 5.156) 5.487 3.208 ( -1.264 -0.546 -1.646) 2.146 3.341 ( 2.752 -1.473 3.438) 4.643 3.358 ( 1.165 1.640 -0.198) 2.021 3.498 ( 1.810 -3.663 2.709) 4.902 3.734 ( -0.190 -5.030 -2.266) 5.520 3.887 ( -5.736 2.172 -9.743) 11.513 4.016 ( 2.658 -0.942 0.413) 2.850 4.079 ( -0.465 1.524 -1.079) 1.924 4.315 ( -0.007 3.153 0.394) 3.177 4.327 ( -2.413 3.157 -0.246) 3.981 4.530 ( 3.549 -0.017 4.910) 6.058 4.555 ( -5.612 2.448 2.506) 6.615 4.734 ( 3.753 3.868 -3.038) 6.187 4.842 ( -1.850 -4.774 -6.010) 7.895 5.031 ( 3.466 0.803 5.498) 6.549 5.190 ( -2.390 -2.928 -1.648) 4.123 5.317 ( 0.320 0.029 1.577) 1.609 5.431 ( 0.187 -3.749 -2.479) 4.498 5.628 ( -0.697 -0.536 1.480) 1.722 5.704 ( 0.181 -3.449 -1.192) 3.653 5.730 ( 0.379 0.147 3.226) 3.252 5.858 ( 1.155 4.098 -0.421) 4.278 6.050 ( -1.930 1.229 0.411) 2.325 6.123 ( 1.472 0.382 0.825) 1.730 6.203 ( -1.357 -0.591 2.386) 2.808 6.278 ( 0.792 -4.557 -0.131) 4.627 6.562 ( -2.803 2.461 1.859) 4.168 6.765 ( 3.134 -1.814 -4.808) 6.019 7.016 ( -3.030 1.903 5.834) 6.844 7.289 ( 2.873 -0.989 -5.331) 6.136 7.816 ( 2.435 -1.383 0.536) 2.851 7.887 ( -2.096 0.318 -2.671) 3.410 8.302 ( -3.130 3.487 0.821) 4.757 8.412 ( 4.172 4.206 -3.487) 6.874 8.841 ( -2.301 1.030 5.762) 6.290 9.074 ( 1.781 4.837 -4.271) 6.694 9.656 ( -2.668 2.120 9.035) 9.656 9.772 ( -3.083 -0.816 8.867) 9.423 10.183 ( 2.987 5.041 -10.031) 11.617 10.213 ( 3.226 -3.465 -8.881) 10.065 10.732 ( -0.253 3.347 2.461) 4.162 10.860 ( -2.313 0.277 -4.499) 5.067 11.405 ( 7.945 2.528 7.618) 11.294 11.815 ( -3.679 -10.598 -11.112) 15.790 12.022 ( -2.679 0.979 5.080) 5.826 12.258 ( -2.151 1.352 -5.621) 6.169 13.352 ( 4.591 1.663 18.559) 19.190 13.979 ( -2.577 -2.406 -9.855) 10.467 ======================= Grid point 167 (73/138) ======================= q-point: (-0.18 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -1.955 0.879 6.418) 6.767 1.098 ( 1.131 -1.700 -2.639) 3.337 1.177 ( 5.472 2.519 -3.046) 6.751 1.265 ( 2.629 2.466 8.354) 9.098 1.398 ( 1.986 3.278 -4.272) 5.739 1.461 ( -8.030 -1.874 2.492) 8.614 1.467 ( -6.748 6.724 4.562) 10.562 1.658 ( 1.958 6.634 6.308) 9.361 1.826 ( 2.845 4.429 -1.957) 5.615 1.856 ( 4.968 -0.364 1.419) 5.180 1.963 ( -0.953 0.807 -4.113) 4.298 2.017 ( -8.766 -3.131 -6.530) 11.370 2.202 ( -0.937 0.348 -6.290) 6.369 2.289 ( 2.017 -1.271 -5.728) 6.204 2.445 ( -9.138 -4.936 -1.126) 10.447 2.541 ( 7.328 -2.853 1.928) 8.097 2.669 ( -1.467 0.559 2.076) 2.602 2.685 ( -3.171 -1.900 3.934) 5.399 2.780 ( 0.817 -0.726 0.810) 1.360 2.831 ( 0.033 -1.714 -0.866) 1.921 2.954 ( 1.654 -1.659 -1.030) 2.559 2.964 ( -3.977 2.251 5.238) 6.952 3.063 ( 5.967 -0.263 1.994) 6.297 3.189 ( 2.049 -1.216 3.767) 4.457 3.193 ( 0.165 1.002 -4.264) 4.384 3.356 ( 1.461 -0.064 5.602) 5.789 3.385 ( 2.160 -0.541 -1.060) 2.466 3.559 ( -0.266 -0.782 0.122) 0.835 3.790 ( -2.929 0.175 -4.444) 5.325 3.851 ( 0.688 -5.134 -3.565) 6.289 4.014 ( -0.651 4.210 0.857) 4.346 4.067 ( 1.759 -3.131 -1.332) 3.831 4.244 ( -2.916 2.191 -1.162) 3.828 4.283 ( 1.736 0.382 -1.014) 2.046 4.407 ( -6.138 4.601 1.208) 7.766 4.627 ( 4.069 -1.070 1.747) 4.555 4.717 ( 4.784 0.433 2.521) 5.425 4.902 ( -2.569 -4.837 -5.713) 7.914 5.058 ( 2.282 0.226 1.000) 2.501 5.202 ( 1.216 1.503 -2.629) 3.263 5.335 ( -0.958 -2.425 5.376) 5.974 5.489 ( 0.525 -2.513 -3.089) 4.017 5.622 ( -2.435 0.712 2.122) 3.308 5.692 ( 1.762 3.587 1.427) 4.244 5.769 ( -1.127 -3.328 0.961) 3.643 5.854 ( 0.341 -1.167 -2.012) 2.351 5.973 ( -3.895 2.828 -0.475) 4.837 6.104 ( 1.730 2.076 -2.831) 3.913 6.222 ( -1.847 -1.865 2.781) 3.824 6.341 ( 1.219 -0.412 -2.399) 2.722 6.542 ( -3.194 -1.620 9.239) 9.909 6.832 ( 3.075 -3.215 -2.014) 4.884 6.987 ( -2.697 -0.317 4.129) 4.942 7.307 ( 1.957 -0.243 -6.981) 7.254 7.828 ( -4.871 -0.267 -0.116) 4.880 7.890 ( 5.542 -0.476 -0.250) 5.568 8.228 ( -3.224 2.114 -1.832) 4.268 8.363 ( 5.823 2.965 -1.872) 6.797 8.801 ( -10.926 -0.128 3.853) 11.586 9.044 ( 8.630 1.599 -0.518) 8.792 9.637 ( -1.442 0.499 7.771) 7.920 9.782 ( -3.216 -0.662 9.367) 9.926 10.105 ( 4.157 3.374 -8.825) 10.322 10.279 ( 2.645 -3.421 -10.835) 11.666 10.705 ( 0.181 -0.117 1.766) 1.779 10.816 ( -1.036 1.111 -6.278) 6.459 11.484 ( 6.560 -1.431 15.122) 16.546 11.850 ( -4.633 0.465 -8.797) 9.954 12.112 ( 0.905 -9.602 -0.940) 9.691 12.237 ( -2.502 -3.039 -6.955) 7.992 13.399 ( 2.289 0.991 20.744) 20.893 13.968 ( -3.488 -1.814 -12.127) 12.749 ======================= Grid point 168 (74/138) ======================= q-point: (-0.09 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 2.564 6.056 6.504) 9.249 1.121 ( 0.202 -0.605 -5.328) 5.366 1.143 ( 1.768 10.430 -2.626) 10.900 1.190 ( 2.664 -0.650 2.657) 3.818 1.290 ( -6.239 5.467 1.696) 8.467 1.412 ( 3.051 1.880 5.408) 6.487 1.461 ( -2.324 -1.968 2.339) 3.840 1.562 ( -0.805 3.991 1.758) 4.435 1.771 ( 6.956 4.193 -0.718) 8.154 1.890 ( -2.326 1.132 -7.499) 7.932 1.936 ( 1.370 -1.830 5.464) 5.923 1.993 ( -7.647 -0.974 -8.681) 11.610 2.155 ( -2.022 0.914 -1.982) 2.975 2.330 ( 6.121 -0.222 -6.615) 9.015 2.453 ( -8.027 -3.386 -2.163) 8.976 2.621 ( 4.534 -0.640 4.100) 6.146 2.648 ( -1.061 2.073 4.263) 4.858 2.701 ( -3.591 -1.448 4.909) 6.252 2.807 ( -5.130 -3.552 -1.657) 6.456 2.829 ( -0.055 3.354 3.153) 4.603 2.882 ( -4.919 3.042 1.367) 5.943 2.996 ( 0.075 -2.721 -3.115) 4.137 3.137 ( 8.719 0.309 2.893) 9.192 3.159 ( 1.743 1.572 -2.543) 3.461 3.231 ( 1.195 -1.905 -1.126) 2.515 3.395 ( 0.894 -1.421 5.350) 5.607 3.403 ( 0.056 -1.992 -2.413) 3.129 3.548 ( -2.508 -0.740 1.219) 2.885 3.777 ( 3.106 2.159 2.208) 4.380 3.884 ( -1.272 0.103 -4.249) 4.437 3.972 ( -2.198 -0.656 0.147) 2.299 4.165 ( 3.505 -5.529 -2.058) 6.862 4.203 ( -0.961 0.745 -0.994) 1.571 4.309 ( -3.471 1.308 1.167) 3.889 4.352 ( 1.487 -5.300 -1.533) 5.714 4.636 ( 5.181 1.920 -0.147) 5.527 4.793 ( 1.801 -3.312 7.260) 8.181 4.949 ( -2.492 -2.834 -3.590) 5.208 5.030 ( -4.550 1.826 -3.202) 5.856 5.150 ( 6.294 5.186 -4.033) 9.098 5.392 ( -1.891 -1.650 5.877) 6.391 5.503 ( -0.783 2.689 -4.141) 5.000 5.557 ( -5.014 0.409 -2.065) 5.438 5.672 ( 4.673 1.169 2.439) 5.399 5.827 ( -1.114 -3.613 2.706) 4.649 5.842 ( -2.458 0.696 -2.111) 3.314 5.942 ( -0.774 -1.345 -0.110) 1.556 6.086 ( 1.776 0.656 -4.031) 4.453 6.246 ( -1.517 -1.222 2.997) 3.575 6.326 ( -0.044 0.692 -1.443) 1.601 6.584 ( -3.296 -2.412 10.385) 11.159 6.904 ( 0.943 -2.994 1.652) 3.547 7.019 ( 0.641 -2.930 0.947) 3.145 7.283 ( -2.504 0.710 -7.931) 8.347 7.786 ( -4.593 0.962 0.860) 4.771 7.944 ( 4.282 -0.454 -0.509) 4.336 8.184 ( 1.774 0.328 -3.409) 3.857 8.412 ( 10.772 -2.248 -0.321) 11.009 8.727 ( -13.618 -1.410 2.351) 13.892 9.101 ( 8.010 -0.247 0.130) 8.015 9.649 ( -1.381 -0.822 8.751) 8.897 9.803 ( -2.299 -1.499 10.811) 11.154 10.077 ( 5.048 1.628 -7.045) 8.819 10.329 ( 2.073 -3.642 -13.271) 13.917 10.744 ( 1.482 -3.040 0.398) 3.405 10.787 ( 0.214 0.656 -3.631) 3.696 11.573 ( 2.299 -0.074 13.802) 13.992 11.784 ( -2.948 0.799 -5.136) 5.976 12.216 ( -2.504 -3.585 0.964) 4.477 12.394 ( 1.094 -14.712 -11.546) 18.733 13.428 ( -2.156 1.449 19.364) 19.538 13.953 ( -3.647 -2.538 -12.123) 12.912 ======================= Grid point 173 (75/138) ======================= q-point: ( 0.36 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 9.488 0.000 -3.072) 9.973 0.958 ( 5.480 0.000 -1.731) 5.746 1.066 ( 3.623 0.000 1.399) 3.884 1.160 ( -2.267 -0.000 5.501) 5.950 1.288 ( 8.382 0.000 -2.326) 8.699 1.310 ( 5.372 0.000 6.462) 8.403 1.574 ( 1.413 0.000 -0.780) 1.614 1.600 ( 8.873 0.000 7.909) 11.886 1.678 ( -2.606 -0.000 9.769) 10.110 1.755 ( -1.382 -0.000 -11.134) 11.219 1.859 ( -7.044 -0.000 -1.897) 7.295 1.910 ( -0.903 -0.000 2.163) 2.344 2.034 ( -2.132 -0.000 -6.778) 7.105 2.149 ( -2.645 -0.000 3.858) 4.678 2.311 ( -11.642 -0.000 -1.687) 11.764 2.322 ( 2.668 0.000 -6.824) 7.327 2.527 ( 0.928 0.000 0.832) 1.247 2.661 ( 5.591 0.000 -3.073) 6.380 2.947 ( 8.550 0.000 -3.658) 9.300 2.956 ( -2.339 -0.000 -2.737) 3.600 3.028 ( 11.870 0.000 1.975) 12.033 3.097 ( -0.632 -0.000 -5.241) 5.279 3.216 ( 2.669 0.000 -0.951) 2.834 3.241 ( -4.258 -0.000 11.734) 12.483 3.289 ( -1.749 -0.000 -2.765) 3.272 3.428 ( -4.493 -0.000 5.524) 7.121 3.580 ( -3.290 -0.000 -1.525) 3.626 3.608 ( 4.612 0.000 -0.584) 4.649 3.762 ( -5.308 -0.000 -5.777) 7.845 3.877 ( 0.987 0.000 2.720) 2.893 3.911 ( 3.099 0.000 4.405) 5.386 4.119 ( -3.022 -0.000 3.450) 4.586 4.142 ( -6.045 -0.000 4.847) 7.748 4.360 ( -0.186 -0.000 -3.596) 3.601 4.621 ( -7.898 -0.000 -0.186) 7.900 4.656 ( -4.261 -0.000 3.745) 5.673 4.792 ( -11.457 -0.000 -1.585) 11.566 4.813 ( -1.205 -0.000 -3.261) 3.477 4.888 ( -2.819 -0.000 -0.227) 2.828 5.050 ( -0.132 -0.000 -6.628) 6.630 5.248 ( -1.807 -0.000 7.928) 8.131 5.380 ( 3.215 0.000 2.444) 4.039 5.461 ( 0.697 0.000 -5.363) 5.408 5.462 ( -0.700 -0.000 -2.684) 2.774 5.812 ( -0.199 -0.000 0.905) 0.926 5.895 ( -0.691 -0.000 0.046) 0.693 6.133 ( -0.596 -0.000 7.680) 7.703 6.209 ( 3.017 0.000 1.997) 3.618 6.243 ( -5.886 -0.000 1.014) 5.972 6.446 ( 3.418 0.000 -5.005) 6.061 6.690 ( 6.832 0.000 -5.948) 9.058 6.951 ( -9.964 -0.000 5.597) 11.428 7.017 ( -0.060 -0.000 -1.187) 1.189 7.208 ( -0.489 -0.000 -0.458) 0.670 7.691 ( 0.788 0.000 2.552) 2.671 7.753 ( 3.987 0.000 -2.769) 4.854 8.540 ( -1.275 -0.000 0.991) 1.615 8.687 ( 0.736 0.000 -1.090) 1.315 9.061 ( -0.538 -0.000 6.143) 6.166 9.266 ( -5.370 -0.000 7.205) 8.986 9.607 ( 8.763 0.000 -12.949) 15.636 9.916 ( 0.046 0.000 -6.663) 6.663 10.418 ( -10.559 -0.000 9.533) 14.225 10.448 ( -6.609 -0.000 -1.503) 6.778 10.686 ( 0.559 0.000 5.361) 5.390 10.925 ( -1.045 -0.000 -2.413) 2.630 11.440 ( -0.521 -0.000 3.475) 3.514 12.126 ( 7.360 0.000 5.727) 9.326 12.232 ( -11.720 -0.000 -14.183) 18.399 12.519 ( 4.087 0.000 3.042) 5.094 13.521 ( 6.862 0.000 4.680) 8.306 13.606 ( -3.997 -0.000 -6.541) 7.666 ======================= Grid point 174 (76/138) ======================= q-point: ( 0.45 0.36 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 5.990 -1.315 -2.774) 6.731 1.020 ( 4.702 -2.438 1.425) 5.485 1.104 ( 3.908 -0.676 0.777) 4.041 1.184 ( -1.111 -2.732 5.243) 6.016 1.342 ( 4.712 0.794 4.692) 6.697 1.362 ( 7.034 -1.619 2.128) 7.525 1.580 ( 4.263 0.465 -1.078) 4.421 1.613 ( -2.027 3.339 1.267) 4.107 1.704 ( -3.954 -1.734 2.218) 4.854 1.766 ( 3.495 -3.657 1.154) 5.188 1.812 ( -2.777 -1.911 -1.390) 3.647 1.967 ( -2.691 -4.239 0.560) 5.052 2.027 ( -2.462 -2.385 -2.548) 4.271 2.157 ( 0.740 -1.026 2.761) 3.037 2.214 ( -6.944 0.752 -3.333) 7.739 2.351 ( 2.061 -0.981 -5.745) 6.182 2.521 ( -1.059 -0.209 -4.668) 4.792 2.697 ( 2.193 -1.100 -2.951) 3.838 2.912 ( -2.704 1.753 -1.047) 3.389 2.976 ( 6.920 2.438 -3.512) 8.134 3.061 ( 1.221 2.516 -2.686) 3.877 3.106 ( 8.605 1.704 3.511) 9.448 3.141 ( 0.135 4.348 4.258) 6.087 3.245 ( -2.384 1.924 -2.312) 3.838 3.298 ( -1.462 -1.732 3.684) 4.326 3.400 ( -3.103 0.792 2.662) 4.164 3.556 ( -4.233 0.552 -0.177) 4.273 3.628 ( 4.004 1.122 2.047) 4.635 3.665 ( -4.485 4.093 -4.628) 7.635 3.909 ( 1.014 -1.733 2.023) 2.850 3.945 ( 2.576 -0.089 2.112) 3.332 4.069 ( -8.036 0.945 -2.104) 8.361 4.154 ( 0.087 -2.592 7.860) 8.276 4.366 ( 1.027 -0.785 -3.321) 3.564 4.571 ( -5.927 -0.639 -0.056) 5.962 4.609 ( -5.258 1.224 2.277) 5.859 4.731 ( -3.250 -0.643 -1.179) 3.516 4.854 ( -0.708 -4.504 -1.686) 4.861 4.885 ( -1.774 -1.610 -0.959) 2.581 5.040 ( -1.488 -0.897 -6.369) 6.602 5.241 ( -2.366 1.354 7.028) 7.538 5.377 ( -0.745 2.184 0.530) 2.368 5.446 ( 2.579 -2.801 -1.200) 3.992 5.496 ( 2.181 -1.361 -2.881) 3.862 5.865 ( 1.316 -2.719 2.789) 4.111 5.888 ( -1.310 0.258 1.667) 2.135 6.120 ( -2.909 1.730 4.907) 5.961 6.208 ( -2.292 1.416 3.712) 4.587 6.230 ( 2.287 -0.530 -0.064) 2.349 6.385 ( 3.074 5.889 -7.791) 10.239 6.763 ( 3.451 -0.757 -0.703) 3.603 6.860 ( -6.124 1.623 2.877) 6.958 7.023 ( 0.926 -0.565 -0.782) 1.337 7.201 ( -1.006 -0.041 -1.552) 1.850 7.721 ( 1.602 -1.546 0.895) 2.400 7.784 ( 1.348 -1.391 -0.912) 2.141 8.524 ( 0.410 1.280 1.130) 1.756 8.684 ( -2.066 0.095 -1.940) 2.836 9.013 ( 1.278 4.509 4.510) 6.504 9.313 ( -3.550 -4.413 3.376) 6.594 9.601 ( 4.267 2.134 -8.214) 9.499 9.939 ( 2.042 -2.918 -7.125) 7.966 10.284 ( -6.561 8.128 10.639) 14.910 10.430 ( -4.100 -2.057 -0.939) 4.682 10.669 ( -0.130 1.366 3.662) 3.910 10.956 ( 0.061 -2.610 -5.658) 6.231 11.425 ( -0.399 2.120 7.670) 7.968 12.061 ( -1.169 6.527 -7.596) 10.083 12.204 ( -0.659 -0.878 0.551) 1.228 12.529 ( -0.974 1.673 0.827) 2.105 13.493 ( 3.037 4.364 0.051) 5.317 13.658 ( -0.488 -5.559 -1.489) 5.776 ======================= Grid point 175 (77/138) ======================= q-point: ( 0.55 0.36 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 3.817 -1.884 -1.755) 4.605 1.058 ( 0.029 0.505 -0.134) 0.524 1.143 ( 0.925 -0.219 6.566) 6.635 1.247 ( 2.249 -1.867 0.479) 2.962 1.398 ( 2.111 -3.968 0.495) 4.522 1.482 ( 3.354 -6.281 6.429) 9.593 1.542 ( -0.978 1.186 0.441) 1.599 1.607 ( 3.753 0.171 -2.670) 4.609 1.742 ( -0.775 -3.009 2.853) 4.218 1.820 ( -1.965 -3.416 -0.957) 4.056 1.913 ( 4.876 -5.125 0.976) 7.141 1.996 ( -1.527 -1.718 -4.419) 4.982 2.056 ( -7.835 -4.583 0.336) 9.083 2.182 ( -0.406 -0.861 -1.650) 1.905 2.211 ( 0.568 -2.593 -0.675) 2.739 2.343 ( -1.895 0.297 -1.534) 2.456 2.508 ( 1.435 1.277 -4.523) 4.914 2.697 ( -4.002 -0.429 -0.956) 4.137 2.864 ( -1.751 1.070 0.082) 2.053 2.950 ( 5.806 4.048 -2.873) 7.639 3.018 ( 4.344 3.683 0.973) 5.778 3.091 ( 2.411 2.950 2.971) 4.831 3.115 ( 1.897 2.003 0.756) 2.860 3.181 ( -1.189 2.493 -2.210) 3.537 3.295 ( -1.646 1.266 1.665) 2.662 3.384 ( 1.734 1.184 2.637) 3.370 3.447 ( -7.346 5.058 -1.579) 9.057 3.587 ( -0.995 1.793 -2.164) 2.981 3.635 ( 0.992 1.256 5.069) 5.316 3.942 ( 0.259 -0.408 0.733) 0.878 3.976 ( 0.574 -2.344 -1.322) 2.751 4.010 ( -4.713 -0.833 -4.463) 6.545 4.228 ( -0.036 -2.776 7.128) 7.650 4.379 ( 1.788 -0.505 -3.259) 3.752 4.555 ( -2.496 0.075 2.141) 3.289 4.578 ( -3.227 -1.224 0.599) 3.503 4.761 ( 0.973 -3.094 -0.447) 3.274 4.905 ( 0.614 -0.788 -1.405) 1.724 4.949 ( 0.456 -5.709 -2.450) 6.230 5.023 ( -3.054 -0.470 -4.453) 5.420 5.212 ( -0.306 1.153 7.009) 7.110 5.370 ( -1.154 -0.720 1.701) 2.179 5.493 ( 0.427 -1.399 0.834) 1.684 5.561 ( 4.632 -3.362 -3.865) 6.906 5.856 ( -5.242 0.604 4.589) 6.993 5.911 ( 1.899 0.715 3.573) 4.109 6.077 ( -2.853 0.986 2.112) 3.684 6.162 ( 0.171 3.492 3.928) 5.259 6.246 ( 0.663 1.203 -1.362) 1.934 6.288 ( 2.922 3.082 -9.798) 10.679 6.703 ( -3.203 3.851 5.968) 7.791 6.861 ( 1.820 0.611 -3.836) 4.290 7.048 ( 1.643 -1.043 1.246) 2.311 7.199 ( -1.351 -1.388 -2.149) 2.894 7.761 ( 3.857 -0.474 -0.716) 3.952 7.816 ( -2.664 -2.704 0.214) 3.802 8.513 ( 3.740 1.564 0.502) 4.085 8.620 ( -5.587 3.601 -0.381) 6.658 8.972 ( 3.863 2.869 0.553) 4.843 9.317 ( -1.023 1.469 -10.934) 11.080 9.613 ( -1.759 -3.018 6.036) 6.974 9.974 ( 3.682 2.334 0.739) 4.422 10.123 ( -4.725 5.151 6.962) 9.866 10.435 ( 0.777 0.678 -2.647) 2.841 10.698 ( -0.684 -4.063 2.124) 4.635 10.958 ( 1.308 0.897 -9.946) 10.071 11.403 ( -1.571 1.753 12.837) 13.051 11.899 ( -1.228 8.215 -5.754) 10.105 12.195 ( 1.747 2.463 0.267) 3.031 12.449 ( -5.284 3.435 -3.297) 7.112 13.446 ( 4.313 3.920 4.580) 7.412 13.757 ( -1.148 -5.988 -3.295) 6.930 ======================= Grid point 176 (78/138) ======================= q-point: (-0.36 -0.64 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -1.000 -0.252 -0.064) 1.033 1.056 ( 0.774 -2.449 -2.088) 3.310 1.187 ( 0.796 -1.553 7.848) 8.039 1.267 ( 2.087 0.642 2.176) 3.083 1.452 ( -1.570 -0.563 -1.948) 2.564 1.573 ( -0.205 -2.170 1.204) 2.490 1.598 ( 1.819 -1.321 1.255) 2.575 1.664 ( 2.115 -6.922 0.123) 7.239 1.800 ( 1.008 -1.923 2.888) 3.613 1.868 ( -0.061 -2.109 -0.065) 2.111 1.991 ( 3.355 -0.191 -1.060) 3.524 2.009 ( -7.757 -4.838 -5.983) 10.926 2.124 ( -1.270 -5.224 -1.767) 5.659 2.184 ( -2.359 -1.149 -3.508) 4.381 2.234 ( -2.861 0.317 -1.422) 3.211 2.318 ( -0.794 -0.454 -0.761) 1.190 2.511 ( 5.332 -0.588 7.831) 9.492 2.680 ( -4.488 -1.116 -2.910) 5.464 2.830 ( -3.253 1.413 -1.806) 3.980 2.917 ( 3.699 2.083 -1.739) 4.588 2.989 ( 4.806 3.869 1.310) 6.307 3.041 ( 2.735 4.432 4.190) 6.684 3.105 ( -0.874 -0.641 -4.282) 4.417 3.146 ( 1.116 0.985 1.567) 2.161 3.256 ( -0.372 2.013 1.446) 2.506 3.309 ( -1.341 3.314 -3.797) 5.215 3.406 ( 0.943 -0.039 5.977) 6.052 3.532 ( 0.226 3.723 0.261) 3.739 3.633 ( -0.132 -0.147 3.286) 3.292 3.925 ( -4.679 -0.201 -5.558) 7.268 4.005 ( 1.322 -0.706 -3.552) 3.855 4.030 ( 0.177 -2.793 -0.956) 2.958 4.284 ( -1.399 -2.530 5.534) 6.243 4.398 ( 1.624 -0.325 -0.739) 1.813 4.546 ( -0.477 0.559 2.476) 2.582 4.581 ( -2.222 -0.743 0.212) 2.352 4.815 ( 0.484 -0.878 0.373) 1.070 4.891 ( 1.149 2.785 -2.247) 3.759 4.998 ( -0.817 -0.886 -0.813) 1.453 5.061 ( -0.328 -5.414 -3.973) 6.723 5.243 ( 1.822 -1.986 5.044) 5.718 5.372 ( -2.191 -0.623 0.432) 2.319 5.541 ( 1.814 -2.926 0.887) 3.555 5.608 ( 2.852 0.614 -4.659) 5.497 5.830 ( -5.082 1.310 9.681) 11.012 5.917 ( 1.483 -2.105 4.323) 5.032 6.059 ( -0.695 0.944 -0.437) 1.251 6.102 ( -0.900 2.717 3.039) 4.175 6.205 ( 0.542 1.431 -3.774) 4.072 6.262 ( 2.276 1.392 -4.678) 5.385 6.643 ( -1.827 2.090 2.505) 3.739 6.818 ( 2.100 3.595 -5.648) 7.017 7.073 ( 0.212 0.269 3.786) 3.802 7.223 ( -0.636 -2.452 -2.729) 3.723 7.789 ( 2.567 -0.075 0.435) 2.605 7.845 ( -2.178 -2.512 -1.900) 3.829 8.488 ( -3.857 5.668 0.478) 6.872 8.521 ( 3.644 1.569 -0.705) 4.030 8.942 ( 1.973 3.354 1.498) 4.170 9.233 ( -0.855 3.079 -13.276) 13.655 9.674 ( -4.101 -2.911 9.390) 10.652 9.883 ( -0.471 8.246 15.211) 17.309 10.103 ( 1.377 -2.265 -6.794) 7.292 10.391 ( 3.113 4.540 -6.303) 8.368 10.777 ( -1.570 -4.002 1.679) 4.615 10.915 ( 2.870 3.476 -4.888) 6.649 11.421 ( -1.974 -3.456 7.001) 8.053 11.715 ( -0.774 9.231 -4.533) 10.313 12.146 ( 1.930 4.347 1.519) 4.993 12.344 ( -3.910 2.547 -5.865) 7.495 13.435 ( 4.440 2.656 11.191) 12.329 13.838 ( -2.066 -5.073 -6.571) 8.555 ======================= Grid point 177 (79/138) ======================= q-point: (-0.27 -0.64 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -2.113 -1.051 0.073) 2.361 1.103 ( 1.196 -1.051 -3.269) 3.636 1.197 ( -4.875 -0.622 5.471) 7.355 1.306 ( 5.989 0.218 6.513) 8.850 1.423 ( -2.058 0.886 -2.696) 3.506 1.540 ( -2.257 2.652 -3.824) 5.172 1.649 ( -0.457 -0.311 4.852) 4.883 1.780 ( -1.174 -4.772 -0.956) 5.007 1.811 ( -0.998 1.535 2.469) 3.074 1.898 ( 3.465 0.364 1.931) 3.983 1.986 ( -2.887 2.196 -1.050) 3.777 2.053 ( -1.295 -4.387 -9.180) 10.256 2.088 ( -5.343 0.135 2.488) 5.896 2.197 ( -4.447 -3.633 -1.287) 5.885 2.263 ( -0.629 -3.326 -5.125) 6.142 2.390 ( 7.310 -3.674 2.151) 8.460 2.603 ( 5.889 -1.785 6.749) 9.133 2.666 ( -6.644 -3.589 -3.253) 8.222 2.742 ( -5.537 3.515 -2.958) 7.195 2.909 ( -1.772 0.997 3.293) 3.870 2.934 ( 5.802 3.968 -5.625) 9.003 3.036 ( 3.771 1.168 6.626) 7.713 3.095 ( 0.691 0.388 -2.783) 2.893 3.159 ( 1.988 -0.585 1.507) 2.562 3.212 ( 0.356 2.529 2.206) 3.375 3.310 ( 2.249 -2.816 -3.819) 5.251 3.415 ( 0.263 2.063 5.940) 6.294 3.491 ( 2.328 0.283 3.410) 4.138 3.664 ( 1.729 -2.358 0.243) 2.934 3.860 ( -4.995 1.720 -8.448) 9.964 4.020 ( 1.598 -0.351 -1.106) 1.975 4.072 ( 0.250 -1.776 -2.589) 3.150 4.316 ( -3.643 -0.767 3.482) 5.098 4.384 ( -1.049 2.712 1.568) 3.304 4.533 ( -0.716 0.507 2.476) 2.627 4.596 ( 2.275 -0.806 1.192) 2.692 4.785 ( -3.907 2.888 -2.445) 5.439 4.822 ( 2.957 3.136 -2.400) 4.933 5.032 ( 0.394 -2.462 2.285) 3.382 5.119 ( -2.388 -2.642 -3.404) 4.926 5.315 ( 3.144 -2.221 3.401) 5.137 5.379 ( 0.534 -1.427 -1.483) 2.126 5.594 ( -0.794 -1.351 -1.777) 2.369 5.634 ( 1.812 -3.805 -0.472) 4.241 5.776 ( -0.549 3.173 6.407) 7.170 5.963 ( 0.111 4.421 -1.141) 4.567 6.033 ( -0.320 -2.461 5.209) 5.770 6.098 ( -2.071 -1.536 1.749) 3.116 6.209 ( 2.205 -2.221 0.102) 3.131 6.233 ( 0.232 2.029 -2.236) 3.029 6.593 ( -2.268 2.504 -0.216) 3.385 6.771 ( 4.101 1.436 -6.263) 7.623 7.052 ( -2.029 2.281 5.301) 6.118 7.261 ( 0.563 -2.396 -3.690) 4.436 7.799 ( -2.332 -0.766 0.271) 2.470 7.873 ( 2.544 -1.060 -2.645) 3.820 8.359 ( -4.207 4.667 0.408) 6.296 8.502 ( 3.567 3.568 -1.780) 5.350 8.878 ( -3.029 3.835 3.953) 6.286 9.150 ( 1.487 2.949 -8.140) 8.785 9.690 ( -4.357 0.182 9.600) 10.544 9.791 ( -1.398 3.860 11.626) 12.330 10.152 ( 2.956 -2.911 -7.932) 8.951 10.295 ( 4.148 6.075 -9.542) 12.048 10.824 ( 0.964 0.906 1.583) 2.063 10.838 ( -0.874 3.237 0.636) 3.413 11.539 ( 5.556 -5.113 -2.596) 7.985 11.565 ( -4.041 1.448 -2.652) 5.045 12.070 ( -2.379 3.977 3.008) 5.525 12.282 ( 1.867 2.450 -3.825) 4.911 13.454 ( 2.784 1.718 15.553) 15.893 13.880 ( -2.878 -3.375 -9.664) 10.633 ======================= Grid point 178 (80/138) ======================= q-point: (-0.18 -0.64 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -3.128 -1.207 -0.815) 3.450 1.099 ( 0.181 0.082 0.261) 0.328 1.205 ( -0.751 -0.672 1.216) 1.579 1.325 ( -3.633 -0.469 0.613) 3.715 1.400 ( 2.743 1.925 2.720) 4.316 1.456 ( -2.479 2.808 -4.277) 5.685 1.594 ( -1.018 6.835 9.011) 11.355 1.779 ( -7.557 -1.739 -0.605) 7.778 1.793 ( -2.335 3.530 0.247) 4.240 1.898 ( 5.524 0.353 2.609) 6.119 1.948 ( -0.853 -0.710 -2.929) 3.132 2.020 ( 0.932 4.068 -1.800) 4.545 2.159 ( 0.499 -4.035 -2.436) 4.740 2.230 ( -3.200 -3.204 -3.746) 5.877 2.286 ( -5.735 -4.063 -1.372) 7.161 2.535 ( 7.323 -4.455 2.989) 9.078 2.611 ( -3.674 2.085 -3.852) 5.717 2.690 ( -2.085 -3.495 0.433) 4.093 2.729 ( -0.637 -3.513 2.088) 4.136 2.853 ( 2.476 3.543 0.389) 4.339 2.926 ( -0.233 -0.344 -2.328) 2.365 3.013 ( -1.638 3.235 3.765) 5.227 3.121 ( 6.460 -0.120 1.436) 6.619 3.191 ( 1.102 -0.880 -0.849) 1.646 3.200 ( 2.196 0.299 4.187) 4.737 3.364 ( 1.482 -1.661 -3.965) 4.547 3.397 ( 0.556 0.794 4.226) 4.336 3.548 ( 2.437 -1.815 2.100) 3.693 3.736 ( 0.887 -3.165 -3.336) 4.683 3.782 ( -1.231 -0.045 -3.418) 3.633 4.031 ( 0.070 -0.244 -0.808) 0.847 4.087 ( 1.959 0.361 -1.276) 2.365 4.251 ( -5.890 3.441 -1.029) 6.899 4.326 ( -0.182 2.658 1.986) 3.323 4.476 ( -5.236 4.716 1.143) 7.138 4.627 ( 3.609 -0.102 2.900) 4.630 4.772 ( 3.931 -2.892 -2.770) 5.612 4.801 ( 0.709 0.178 -3.178) 3.261 5.064 ( -2.906 -0.211 1.234) 3.164 5.156 ( -1.074 -4.471 1.982) 5.008 5.352 ( 3.182 1.139 0.901) 3.498 5.433 ( 2.134 -3.107 -2.515) 4.531 5.611 ( -2.601 -1.255 0.561) 2.942 5.696 ( -1.114 -1.957 1.057) 2.488 5.756 ( 1.471 0.608 1.788) 2.393 5.875 ( 1.432 3.651 -0.874) 4.018 6.018 ( -2.355 3.373 0.845) 4.199 6.135 ( -0.425 -1.492 1.145) 1.928 6.175 ( -2.440 1.129 -0.174) 2.694 6.315 ( 2.958 -4.295 0.920) 5.296 6.530 ( -2.708 1.571 2.839) 4.227 6.800 ( 4.280 -2.045 -4.345) 6.432 6.996 ( -3.150 2.396 4.837) 6.250 7.297 ( 1.466 -1.350 -4.649) 5.058 7.786 ( -4.087 -0.609 -1.084) 4.272 7.910 ( 4.361 -0.809 -1.228) 4.602 8.260 ( -2.437 3.533 -0.610) 4.335 8.444 ( 2.088 3.237 -1.747) 4.230 8.773 ( -8.749 3.787 3.543) 10.171 9.123 ( 5.625 1.435 -2.733) 6.417 9.669 ( -1.639 1.489 9.282) 9.543 9.766 ( -3.106 0.012 8.427) 8.981 10.192 ( 4.502 3.381 -10.143) 11.601 10.219 ( 3.235 -1.440 -8.526) 9.232 10.745 ( 0.138 3.838 2.779) 4.740 10.829 ( 0.490 1.111 -2.359) 2.653 11.535 ( 2.770 -0.045 5.451) 6.115 11.705 ( -1.323 -9.007 -12.176) 15.203 12.016 ( -1.163 -0.234 5.301) 5.432 12.245 ( 2.636 3.086 -1.564) 4.349 13.473 ( -0.655 1.168 15.755) 15.812 13.884 ( -2.294 -1.860 -10.431) 10.841 ======================= Grid point 179 (81/138) ======================= q-point: (-0.09 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -2.941 -2.314 0.315) 3.756 1.120 ( 1.393 -1.431 -0.141) 2.002 1.198 ( -0.484 -0.061 -1.640) 1.712 1.317 ( 2.775 5.762 -3.319) 7.205 1.335 ( -7.514 -2.849 -3.512) 8.770 1.394 ( -2.077 6.786 10.484) 12.660 1.498 ( 4.929 3.553 4.790) 7.737 1.695 ( 0.955 5.209 -0.235) 5.301 1.756 ( -9.883 -2.864 -4.221) 11.122 1.923 ( 0.002 3.957 0.348) 3.972 1.954 ( 3.195 1.340 -0.666) 3.528 1.965 ( 5.930 -0.288 3.229) 6.758 2.154 ( -2.934 1.554 -3.265) 4.657 2.285 ( -3.781 -5.201 -7.009) 9.512 2.336 ( -0.807 -3.973 2.849) 4.955 2.580 ( -4.510 -2.289 1.295) 5.221 2.645 ( 2.490 -2.495 2.070) 4.088 2.707 ( -4.249 0.087 -2.624) 4.994 2.759 ( 4.432 0.850 4.319) 6.247 2.852 ( -2.797 -0.408 -0.520) 2.874 2.914 ( -1.878 0.941 1.929) 2.852 2.958 ( 1.031 0.926 -1.398) 1.969 3.171 ( 3.300 -1.208 -2.633) 4.391 3.208 ( 2.973 0.528 1.691) 3.461 3.232 ( 3.982 -0.083 4.033) 5.669 3.371 ( -3.313 0.850 -6.881) 7.684 3.391 ( -0.093 -0.823 2.568) 2.698 3.556 ( 1.438 1.352 2.695) 3.341 3.789 ( 2.197 -3.308 1.135) 4.130 3.836 ( -0.084 -2.952 -3.948) 4.930 4.000 ( -2.151 4.037 3.149) 5.553 4.102 ( 3.266 -1.839 -1.858) 4.184 4.190 ( -1.791 -1.612 -2.918) 3.785 4.302 ( 1.645 -0.050 0.366) 1.685 4.356 ( -1.633 4.681 0.875) 5.034 4.671 ( 0.346 -1.951 0.062) 1.982 4.783 ( 1.662 0.304 1.812) 2.478 4.879 ( 3.073 -3.501 -2.091) 5.106 5.021 ( -4.720 1.393 -2.604) 5.568 5.238 ( 1.823 -1.506 0.563) 2.430 5.352 ( 0.797 -0.175 3.864) 3.949 5.490 ( 1.991 -2.234 -2.862) 4.141 5.569 ( -5.217 3.464 -0.998) 6.342 5.713 ( -1.294 -0.509 3.788) 4.035 5.768 ( 0.970 -1.398 0.993) 1.970 5.852 ( 0.511 0.638 -2.232) 2.377 5.928 ( -1.893 2.965 0.018) 3.518 6.113 ( 1.311 1.440 -1.868) 2.698 6.200 ( -2.517 -2.663 2.209) 4.278 6.352 ( 1.265 1.445 -1.669) 2.544 6.538 ( -2.637 -2.463 7.847) 8.637 6.863 ( 1.072 -2.501 0.355) 2.744 6.973 ( -0.420 -1.646 1.211) 2.086 7.290 ( -0.089 1.765 -5.901) 6.160 7.763 ( -3.556 -0.117 -0.738) 3.634 7.961 ( 4.052 -1.208 -0.148) 4.231 8.195 ( 0.311 1.470 -2.887) 3.255 8.450 ( 6.947 -1.202 -0.494) 7.068 8.644 ( -11.791 2.353 2.672) 12.317 9.149 ( 5.562 0.178 -1.098) 5.672 9.662 ( -0.525 0.628 8.832) 8.870 9.776 ( -3.369 -1.405 8.550) 9.297 10.137 ( 5.643 2.860 -8.816) 10.851 10.264 ( 2.194 -2.511 -10.443) 10.963 10.717 ( 0.311 -0.097 1.197) 1.240 10.810 ( 2.502 1.094 -0.964) 2.896 11.571 ( -3.985 -2.031 0.202) 4.477 11.779 ( 2.554 -1.621 0.031) 3.025 12.129 ( 1.727 -9.497 0.631) 9.673 12.198 ( -0.592 1.471 -2.025) 2.572 13.465 ( -5.283 0.909 11.343) 12.546 13.880 ( -0.199 -1.060 -7.424) 7.501 ======================= Grid point 185 (82/138) ======================= q-point: ( 0.45 0.45 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 7.362 0.000 0.291) 7.367 1.019 ( 2.833 0.000 1.025) 3.013 1.126 ( 4.840 0.000 1.612) 5.102 1.171 ( -1.534 -0.000 8.937) 9.068 1.368 ( -2.720 -0.000 2.355) 3.598 1.404 ( 5.554 0.000 -0.005) 5.554 1.619 ( -5.284 -0.000 9.293) 10.690 1.628 ( 5.298 0.000 -2.425) 5.827 1.690 ( 0.061 0.000 -2.817) 2.818 1.726 ( -3.953 -0.000 0.966) 4.070 1.777 ( 0.669 0.000 -0.998) 1.201 1.885 ( -3.065 -0.000 4.516) 5.458 2.011 ( 1.812 0.000 -4.877) 5.203 2.136 ( -4.621 -0.000 1.889) 4.992 2.177 ( -2.268 -0.000 0.877) 2.432 2.368 ( 9.924 0.000 -12.911) 16.284 2.486 ( -4.320 -0.000 -6.080) 7.458 2.685 ( 0.240 0.000 -5.862) 5.867 2.903 ( -3.510 -0.000 -0.631) 3.566 3.039 ( 6.193 0.000 -5.334) 8.173 3.097 ( 3.683 0.000 -0.362) 3.701 3.172 ( 1.592 0.000 7.734) 7.896 3.232 ( -4.071 -0.000 -1.083) 4.213 3.240 ( 0.451 0.000 2.017) 2.067 3.263 ( 3.542 0.000 4.632) 5.831 3.389 ( -2.574 -0.000 3.644) 4.462 3.530 ( -4.237 -0.000 -0.466) 4.262 3.626 ( -2.819 -0.000 -4.572) 5.371 3.736 ( 7.601 0.000 -0.562) 7.622 3.906 ( 0.749 0.000 2.959) 3.053 3.965 ( 2.074 0.000 1.982) 2.869 3.998 ( -11.509 -0.000 -3.609) 12.061 4.145 ( -0.008 -0.000 8.507) 8.507 4.359 ( 1.833 0.000 -2.497) 3.097 4.532 ( -2.522 -0.000 0.544) 2.580 4.578 ( -6.757 -0.000 1.288) 6.878 4.709 ( -1.547 -0.000 1.763) 2.346 4.807 ( 1.064 0.000 -3.077) 3.256 4.853 ( -1.039 -0.000 -0.332) 1.091 5.003 ( -1.684 -0.000 -7.837) 8.015 5.238 ( -2.258 -0.000 3.326) 4.020 5.391 ( -2.957 -0.000 1.779) 3.451 5.454 ( 2.025 0.000 -4.483) 4.919 5.464 ( 2.730 0.000 -6.684) 7.220 5.883 ( 5.156 0.000 10.717) 11.892 5.894 ( 0.412 0.000 3.771) 3.793 6.152 ( -5.004 -0.000 -2.183) 5.460 6.155 ( -1.592 -0.000 7.467) 7.635 6.265 ( 1.734 0.000 3.569) 3.968 6.468 ( 4.099 0.000 -8.629) 9.553 6.768 ( 6.284 0.000 -2.894) 6.919 6.831 ( -9.433 -0.000 3.732) 10.145 7.023 ( 1.330 0.000 -0.271) 1.357 7.186 ( -1.826 -0.000 -2.982) 3.497 7.705 ( -0.475 -0.000 2.626) 2.669 7.791 ( 2.552 0.000 -1.902) 3.183 8.540 ( 0.417 0.000 1.332) 1.396 8.669 ( -0.334 -0.000 -2.953) 2.972 9.087 ( -1.312 -0.000 7.271) 7.389 9.234 ( -4.391 -0.000 9.316) 10.299 9.660 ( 6.958 0.000 -13.067) 14.804 9.881 ( 0.278 0.000 -8.983) 8.987 10.331 ( -6.632 -0.000 6.834) 9.523 10.378 ( -1.686 -0.000 -0.247) 1.705 10.715 ( -0.233 -0.000 5.855) 5.860 10.914 ( 0.391 0.000 -2.028) 2.065 11.457 ( -0.145 -0.000 5.886) 5.887 12.017 ( -6.947 -0.000 -15.171) 16.686 12.282 ( 7.763 0.000 7.946) 11.109 12.546 ( -1.323 -0.000 -0.259) 1.348 13.569 ( 1.999 0.000 -2.835) 3.469 13.577 ( -0.630 -0.000 1.194) 1.350 ======================= Grid point 186 (83/138) ======================= q-point: (-0.45 -0.55 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 4.179 0.815 0.066) 4.258 1.048 ( -1.354 -0.398 -0.614) 1.539 1.166 ( -0.618 0.276 8.832) 8.858 1.216 ( 3.078 -4.117 3.474) 6.204 1.340 ( -3.815 -1.010 0.803) 4.027 1.427 ( -1.276 -1.197 1.043) 2.037 1.595 ( 0.626 2.002 0.805) 2.247 1.637 ( 1.311 1.825 1.059) 2.484 1.681 ( -2.737 -3.342 6.016) 7.406 1.737 ( -2.420 -2.616 -4.645) 5.855 1.848 ( 3.488 -5.127 -0.237) 6.205 1.909 ( -2.607 -2.407 4.986) 6.120 2.016 ( 2.277 0.250 -3.941) 4.558 2.123 ( -4.025 -2.086 0.591) 4.572 2.190 ( 1.299 -0.808 -1.878) 2.422 2.364 ( 2.582 2.735 -6.956) 7.908 2.502 ( 6.171 -3.332 -9.659) 11.936 2.655 ( -5.595 0.363 -3.398) 6.557 2.866 ( -3.513 1.017 0.110) 3.659 3.050 ( 4.859 1.490 -5.170) 7.250 3.104 ( 4.582 3.187 1.129) 5.694 3.143 ( -2.941 3.757 0.809) 4.839 3.173 ( -0.852 1.052 5.584) 5.745 3.227 ( -0.549 2.299 0.991) 2.563 3.322 ( 3.351 -0.457 3.915) 5.174 3.383 ( -2.018 0.498 4.242) 4.723 3.473 ( -5.051 2.068 -3.613) 6.545 3.599 ( -0.016 0.658 -3.631) 3.690 3.739 ( 7.309 4.988 4.014) 9.717 3.914 ( -9.095 -0.719 -4.721) 10.273 3.926 ( 0.055 -1.206 2.166) 2.480 3.988 ( 2.100 -0.228 0.842) 2.274 4.194 ( 0.055 -2.665 6.116) 6.672 4.374 ( 2.265 -0.519 -2.701) 3.563 4.536 ( -4.279 -0.095 0.353) 4.295 4.544 ( 1.315 -1.151 1.417) 2.250 4.729 ( 1.891 -1.618 1.497) 2.904 4.839 ( -1.017 -3.762 -3.039) 4.942 4.878 ( 2.063 -2.425 -0.012) 3.184 4.980 ( -1.919 -0.677 -7.032) 7.320 5.231 ( -1.980 0.206 4.573) 4.988 5.368 ( -1.513 0.568 1.343) 2.101 5.452 ( 0.347 -2.278 -4.212) 4.801 5.523 ( 3.280 -3.241 -3.686) 5.903 5.878 ( -1.029 3.056 7.053) 7.756 5.950 ( 4.677 0.141 7.266) 8.643 6.084 ( -2.724 1.568 -0.787) 3.240 6.193 ( -2.280 -1.329 5.229) 5.857 6.271 ( 1.706 1.031 2.168) 2.945 6.391 ( 3.931 7.162 -11.199) 13.862 6.747 ( -6.626 2.452 4.777) 8.529 6.852 ( 4.110 -3.005 -1.735) 5.379 7.043 ( 1.798 -0.957 0.858) 2.210 7.162 ( -2.532 -0.207 -3.939) 4.687 7.731 ( -1.141 -2.580 1.586) 3.236 7.799 ( 1.434 0.267 -1.160) 1.864 8.547 ( 1.455 0.234 1.655) 2.216 8.646 ( -0.463 2.087 -2.469) 3.266 9.041 ( -0.689 2.887 3.936) 4.930 9.282 ( -3.473 -2.945 4.325) 6.280 9.615 ( 3.079 3.428 -7.591) 8.880 9.931 ( 2.075 -5.049 -9.303) 10.786 10.247 ( -5.214 6.226 10.025) 12.901 10.409 ( 1.810 -2.613 -0.437) 3.208 10.687 ( -0.115 1.856 4.725) 5.078 10.939 ( 1.008 -1.454 -5.766) 6.032 11.459 ( -0.571 1.455 9.952) 10.074 11.941 ( -4.813 0.760 -12.158) 13.098 12.304 ( 7.582 4.664 6.221) 10.860 12.486 ( -3.783 3.928 -3.120) 6.283 13.532 ( 0.454 2.254 1.890) 2.977 13.643 ( 0.609 -4.552 -2.668) 5.312 ======================= Grid point 187 (84/138) ======================= q-point: (-0.36 -0.55 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -4.012 0.213 -0.954) 4.130 1.012 ( -2.644 -0.852 -1.831) 3.327 1.197 ( 1.980 -0.447 7.314) 7.591 1.298 ( 3.146 -0.790 1.820) 3.719 1.362 ( -7.009 -3.817 2.750) 8.441 1.487 ( -1.996 -6.805 2.349) 7.471 1.587 ( 0.709 -0.948 -0.401) 1.250 1.618 ( -1.029 0.618 -0.838) 1.464 1.759 ( 0.926 -3.737 3.663) 5.314 1.777 ( -1.897 -4.975 -1.959) 5.673 1.925 ( 0.105 -0.397 2.789) 2.819 1.967 ( -7.084 -4.987 -4.792) 9.901 2.019 ( 5.134 -0.433 -0.858) 5.223 2.159 ( 0.495 -2.553 0.961) 2.772 2.204 ( 1.709 -1.513 -4.985) 5.483 2.332 ( 2.409 1.830 -3.406) 4.556 2.553 ( -0.949 0.813 2.373) 2.682 2.633 ( 2.305 -2.276 -4.377) 5.445 2.820 ( -4.381 0.895 0.398) 4.490 3.006 ( 2.704 5.141 -1.418) 5.980 3.067 ( -1.993 0.222 -4.171) 4.629 3.084 ( 1.197 3.339 -0.760) 3.627 3.136 ( -1.154 3.162 3.402) 4.786 3.197 ( 2.462 1.531 4.506) 5.358 3.307 ( -0.113 3.395 -2.364) 4.139 3.350 ( -0.982 1.766 1.527) 2.533 3.425 ( 1.668 0.752 1.814) 2.576 3.576 ( 0.152 1.568 -1.648) 2.280 3.702 ( 4.090 4.269 6.267) 8.616 3.870 ( -4.445 -0.853 -5.552) 7.164 3.963 ( -0.185 -2.480 -0.105) 2.489 4.009 ( 1.678 -0.464 -0.194) 1.752 4.246 ( -0.832 -1.934 4.156) 4.659 4.397 ( 2.350 -0.706 -2.046) 3.195 4.529 ( -1.285 -1.087 0.723) 1.832 4.581 ( 2.636 -0.448 1.807) 3.227 4.786 ( 1.292 -1.973 0.184) 2.365 4.891 ( -1.080 -2.737 -2.751) 4.028 4.959 ( 0.602 -3.953 -1.670) 4.333 4.968 ( -0.041 -1.233 -2.796) 3.056 5.238 ( -0.109 -0.934 6.208) 6.279 5.354 ( -1.321 0.193 1.026) 1.684 5.507 ( 1.221 -3.181 -1.962) 3.931 5.612 ( 4.680 -3.315 -3.327) 6.630 5.810 ( -4.608 2.611 7.695) 9.341 5.972 ( 2.766 2.196 5.836) 6.821 6.049 ( -1.837 0.326 -0.465) 1.923 6.168 ( -1.173 3.342 3.086) 4.698 6.251 ( 1.417 3.216 -2.651) 4.403 6.292 ( 3.176 2.063 -8.655) 9.447 6.676 ( -4.377 2.203 5.350) 7.255 6.887 ( 4.180 2.009 -2.854) 5.446 7.081 ( 1.319 -0.820 2.747) 3.155 7.157 ( -2.223 -2.439 -3.639) 4.912 7.765 ( -4.111 -2.018 -0.778) 4.646 7.814 ( 3.419 -0.990 0.250) 3.569 8.520 ( -4.991 3.220 0.628) 5.972 8.604 ( 5.637 2.314 -0.452) 6.110 9.008 ( 0.046 2.020 1.474) 2.501 9.248 ( -1.237 2.993 -10.651) 11.132 9.613 ( -1.959 -2.388 5.649) 6.439 10.013 ( 3.325 -2.550 -6.006) 7.324 10.095 ( -5.579 7.254 12.583) 15.559 10.450 ( 2.851 0.444 -2.316) 3.700 10.713 ( 0.951 -2.589 2.846) 3.963 10.942 ( 3.441 -0.175 -10.571) 11.118 11.431 ( -3.591 3.191 13.992) 14.793 11.848 ( -0.271 5.018 -7.040) 8.650 12.256 ( 1.195 5.729 1.458) 6.031 12.380 ( 2.466 3.862 -4.384) 6.342 13.504 ( -1.898 0.944 5.667) 6.051 13.729 ( 1.671 -4.313 -4.541) 6.482 ======================= Grid point 188 (85/138) ======================= q-point: (-0.27 -0.55 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -4.733 -1.557 -0.597) 5.018 1.045 ( -1.692 -3.986 -1.745) 4.669 1.188 ( -2.932 2.243 3.070) 4.801 1.343 ( 2.482 -0.708 2.897) 3.880 1.381 ( -6.044 -3.567 1.472) 7.171 1.557 ( -2.366 1.943 -1.762) 3.532 1.608 ( -2.016 -3.206 1.228) 3.982 1.658 ( -1.878 -6.834 -1.841) 7.323 1.821 ( 0.444 -1.878 2.072) 2.831 1.890 ( 1.277 -5.095 0.978) 5.343 1.913 ( -1.209 0.204 0.062) 1.228 1.956 ( -7.678 -3.661 -3.434) 9.173 2.083 ( 2.808 -1.783 -0.439) 3.355 2.173 ( -1.154 4.332 -0.665) 4.532 2.237 ( 6.550 -1.967 -2.659) 7.338 2.368 ( 5.621 -4.051 1.561) 7.103 2.541 ( -6.946 -1.941 -1.156) 7.304 2.674 ( 5.126 0.806 6.573) 8.374 2.765 ( -3.137 2.559 -2.603) 4.814 2.931 ( -2.880 3.433 1.079) 4.609 3.012 ( 1.155 2.513 -3.930) 4.806 3.044 ( -2.587 -0.845 -5.055) 5.741 3.107 ( 2.386 1.139 2.167) 3.419 3.214 ( 4.840 1.427 5.746) 7.647 3.272 ( 0.446 -0.862 -6.195) 6.271 3.301 ( 3.955 4.531 2.208) 6.407 3.441 ( 0.086 -0.207 2.537) 2.547 3.532 ( -0.549 2.285 1.212) 2.644 3.684 ( 2.839 1.611 4.647) 5.679 3.844 ( -0.861 0.590 -5.096) 5.202 4.008 ( 0.117 -2.476 -2.675) 3.647 4.028 ( 0.736 -0.883 -1.326) 1.754 4.276 ( -2.243 -1.407 3.572) 4.447 4.412 ( 0.117 0.480 0.694) 0.852 4.544 ( -0.179 0.284 1.400) 1.440 4.607 ( 4.635 -0.295 1.293) 4.821 4.785 ( -4.619 0.957 0.143) 4.719 4.890 ( 0.119 1.679 -2.713) 3.193 4.983 ( -1.379 -2.494 -0.498) 2.893 5.048 ( 1.822 -3.356 -2.465) 4.545 5.297 ( 2.257 -2.896 5.598) 6.695 5.357 ( -0.536 -1.235 1.027) 1.694 5.577 ( 3.413 -2.907 -1.697) 4.794 5.617 ( 1.667 3.165 -5.903) 6.902 5.810 ( -3.606 -1.897 9.972) 10.772 5.955 ( 0.484 0.374 3.416) 3.471 6.049 ( -0.599 -1.125 0.248) 1.299 6.099 ( -0.805 3.836 1.624) 4.243 6.209 ( 2.011 1.237 -2.125) 3.177 6.267 ( 1.194 1.412 -5.045) 5.374 6.621 ( -2.903 2.134 2.840) 4.588 6.849 ( 5.714 4.143 -4.895) 8.589 7.087 ( -0.985 1.254 4.193) 4.486 7.197 ( -0.887 -3.402 -2.854) 4.529 7.754 ( -4.623 -1.062 -1.633) 5.016 7.871 ( 4.079 -1.653 -0.133) 4.404 8.404 ( -5.104 4.254 -0.530) 6.666 8.598 ( 4.682 3.574 -0.184) 5.893 8.942 ( -3.809 4.409 2.481) 6.333 9.170 ( 0.626 1.503 -11.169) 11.287 9.654 ( -4.073 -2.119 8.291) 9.477 9.922 ( -3.605 7.765 13.866) 16.296 10.100 ( 2.558 -3.304 -7.524) 8.607 10.413 ( 3.892 4.959 -6.382) 8.971 10.776 ( 0.218 -3.165 1.764) 3.630 10.947 ( 4.631 2.742 -4.331) 6.908 11.382 ( -6.806 -1.397 4.440) 8.246 11.734 ( 5.247 7.232 -2.246) 9.213 12.132 ( -3.972 5.122 -1.079) 6.571 12.368 ( 9.762 3.011 -0.660) 10.237 13.494 ( -4.688 -0.445 7.562) 8.909 13.796 ( 2.118 -2.674 -5.376) 6.367 ======================= Grid point 189 (86/138) ======================= q-point: (-0.18 -0.55 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -3.207 -1.475 -1.380) 3.790 1.100 ( -0.134 -0.907 -3.015) 3.151 1.137 ( -5.748 -2.449 2.000) 6.560 1.321 ( -3.589 2.672 -0.458) 4.498 1.427 ( -2.248 -2.521 0.565) 3.425 1.480 ( -0.514 2.537 -0.400) 2.619 1.631 ( -5.170 -1.332 -2.384) 5.847 1.718 ( -4.077 0.183 4.862) 6.348 1.838 ( -0.374 0.941 2.869) 3.042 1.898 ( -2.692 -2.374 -2.641) 4.456 1.948 ( -1.448 -2.057 3.725) 4.495 2.038 ( 0.862 -5.383 -4.043) 6.787 2.061 ( 4.075 3.510 -1.504) 5.585 2.179 ( -0.257 -3.910 3.181) 5.047 2.266 ( 4.155 3.199 0.047) 5.244 2.497 ( 4.047 -4.475 0.249) 6.039 2.545 ( -6.004 -4.622 -2.165) 7.880 2.675 ( 1.148 3.892 -4.870) 6.339 2.723 ( 4.124 -0.601 7.157) 8.282 2.858 ( -6.183 0.544 1.195) 6.321 2.981 ( 2.788 2.388 -1.869) 4.119 3.046 ( 0.025 -0.184 -2.729) 2.736 3.121 ( 1.349 -0.744 -0.798) 1.736 3.228 ( 4.894 1.473 4.708) 6.949 3.256 ( 2.936 2.737 2.042) 4.504 3.313 ( 0.888 -2.856 -5.230) 6.025 3.419 ( -2.176 1.598 1.522) 3.100 3.533 ( 1.462 -1.486 2.344) 3.137 3.701 ( 1.045 -1.143 -0.089) 1.552 3.811 ( 2.745 2.528 -1.321) 3.958 4.035 ( 2.191 -0.182 -2.568) 3.380 4.053 ( -1.362 -2.655 -2.531) 3.913 4.267 ( -4.329 1.333 2.721) 5.285 4.380 ( -0.304 2.594 2.823) 3.846 4.499 ( -3.668 2.741 1.336) 4.770 4.677 ( 0.999 0.789 3.381) 3.613 4.718 ( 0.990 -1.315 -5.277) 5.528 4.852 ( 2.272 2.180 -0.158) 3.153 5.014 ( -3.357 -2.161 -0.224) 3.999 5.096 ( 1.178 -1.741 -0.633) 2.195 5.374 ( 1.222 -1.402 2.627) 3.218 5.400 ( 4.065 -2.821 -0.864) 5.023 5.565 ( -1.959 -0.034 -3.073) 3.645 5.656 ( 1.455 -2.674 0.044) 3.045 5.805 ( 1.068 2.304 5.411) 5.978 5.955 ( -0.867 2.561 -0.601) 2.770 6.036 ( -1.698 1.078 2.402) 3.133 6.080 ( -0.545 -2.370 1.030) 2.641 6.210 ( -1.352 2.345 -4.245) 5.034 6.257 ( 2.800 -3.027 3.002) 5.101 6.563 ( -2.080 2.663 1.801) 3.829 6.821 ( 6.151 1.926 -5.158) 8.255 7.041 ( -2.750 3.138 4.610) 6.218 7.251 ( 0.569 -3.220 -3.058) 4.478 7.738 ( -3.867 -1.106 -2.439) 4.704 7.922 ( 3.749 -0.891 -0.523) 3.888 8.305 ( -2.524 3.302 -0.985) 4.271 8.525 ( 0.282 5.325 -0.507) 5.356 8.812 ( -7.701 5.402 2.094) 9.637 9.156 ( 2.819 -0.199 -4.772) 5.546 9.673 ( -3.570 -1.053 8.109) 8.923 9.812 ( -2.694 4.496 10.359) 11.610 10.157 ( 2.451 -2.786 -7.527) 8.392 10.318 ( 4.932 6.073 -9.346) 12.189 10.818 ( -0.858 0.466 -0.478) 1.087 10.875 ( 2.956 5.203 4.756) 7.644 11.415 ( -7.378 -6.624 -9.665) 13.847 11.686 ( 8.975 2.651 2.098) 9.591 12.036 ( -2.369 2.327 2.187) 3.976 12.367 ( 9.170 5.213 1.777) 10.697 13.476 ( -7.997 -0.681 5.573) 9.771 13.838 ( 3.214 -1.247 -3.762) 5.103 ======================= Grid point 190 (87/138) ======================= q-point: (-0.09 -0.55 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -1.962 -1.592 -3.227) 4.098 1.085 ( -2.717 -1.169 1.610) 3.367 1.200 ( -2.571 -5.232 -3.706) 6.908 1.221 ( -2.288 3.825 -0.493) 4.484 1.395 ( -2.578 2.591 -2.493) 4.424 1.492 ( 3.608 0.576 3.872) 5.323 1.582 ( -9.850 -1.599 -6.665) 11.999 1.648 ( -0.417 5.482 8.166) 9.845 1.789 ( -1.664 2.882 2.169) 3.973 1.930 ( -0.568 -0.876 0.395) 1.116 2.003 ( 2.749 -1.947 3.477) 4.841 2.043 ( 4.257 1.921 0.956) 4.768 2.104 ( -3.728 -3.436 -4.938) 7.077 2.221 ( 2.786 2.531 -0.974) 3.888 2.267 ( 1.453 -3.499 5.562) 6.730 2.534 ( -3.447 0.108 -0.303) 3.462 2.594 ( -0.698 -5.373 -4.211) 6.862 2.675 ( 3.761 -0.008 -2.176) 4.345 2.789 ( 2.796 -2.335 3.845) 5.296 2.813 ( -5.934 0.214 -0.828) 5.995 2.952 ( 3.467 3.178 2.522) 5.337 3.015 ( 0.252 2.970 0.979) 3.137 3.146 ( 0.258 -2.099 -4.427) 4.906 3.233 ( 1.383 1.395 1.516) 2.482 3.274 ( 4.269 -0.483 5.892) 7.292 3.344 ( -0.886 -1.124 -8.358) 8.480 3.369 ( -4.673 0.817 -0.101) 4.745 3.589 ( 3.061 -1.435 1.426) 3.669 3.733 ( -0.208 -2.082 -0.368) 2.124 3.809 ( 3.797 -0.322 0.570) 3.853 4.037 ( 0.236 1.066 0.924) 1.431 4.097 ( 0.073 -3.335 -1.676) 3.733 4.174 ( -2.301 4.410 -1.593) 5.223 4.352 ( 2.376 1.957 3.076) 4.352 4.422 ( -3.033 3.136 2.371) 4.965 4.621 ( -2.083 0.088 -3.264) 3.873 4.787 ( -0.979 -1.463 -2.567) 3.113 4.870 ( 6.091 -0.823 1.533) 6.334 5.005 ( -2.393 0.241 -1.508) 2.839 5.157 ( -1.296 -4.638 3.462) 5.931 5.393 ( 1.893 0.481 0.324) 1.980 5.479 ( 5.127 -1.568 -2.052) 5.741 5.551 ( -5.330 -0.765 -1.277) 5.534 5.689 ( -1.210 -0.697 3.608) 3.869 5.785 ( 1.592 1.625 0.495) 2.328 5.887 ( 0.505 3.253 -0.489) 3.328 5.998 ( -0.602 3.538 0.340) 3.605 6.128 ( -1.074 -2.448 1.350) 2.995 6.145 ( -0.981 1.032 -1.088) 1.792 6.354 ( 1.906 -2.986 0.412) 3.566 6.516 ( -1.920 0.995 5.183) 5.616 6.836 ( 2.689 -0.820 -2.640) 3.856 6.974 ( -2.017 2.073 2.300) 3.695 7.293 ( 0.927 -0.814 -3.998) 4.184 7.729 ( -2.429 -0.931 -2.093) 3.339 7.961 ( 2.879 -1.122 -0.379) 3.113 8.233 ( -0.430 2.970 -2.065) 3.643 8.464 ( 1.660 0.535 0.286) 1.768 8.655 ( -8.754 5.215 1.625) 10.318 9.176 ( 2.788 -0.264 -2.032) 3.460 9.684 ( -2.345 -0.333 8.605) 8.925 9.765 ( -2.345 1.138 8.438) 8.831 10.202 ( 2.283 -1.692 -8.446) 8.911 10.233 ( 4.736 3.794 -9.537) 11.304 10.752 ( -0.599 3.206 1.280) 3.503 10.861 ( 3.706 1.854 3.104) 5.177 11.436 ( -9.172 -4.887 -12.663) 16.382 11.764 ( 7.617 -2.830 3.070) 8.687 12.043 ( 1.533 -2.761 4.625) 5.601 12.305 ( 4.778 7.421 2.597) 9.200 13.427 ( -10.590 -0.383 1.379) 10.686 13.877 ( 4.737 -0.382 -0.515) 4.780 ======================= Grid point 197 (88/138) ======================= q-point: (-0.45 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -0.351 -0.000 1.208) 1.258 1.041 ( -0.594 -0.000 -0.212) 0.631 1.142 ( -9.006 -0.000 2.146) 9.258 1.187 ( -2.362 -0.000 8.022) 8.363 1.328 ( 1.323 0.000 4.477) 4.668 1.415 ( 0.103 0.000 -1.267) 1.272 1.596 ( -10.508 -0.000 -2.360) 10.770 1.616 ( -4.514 -0.000 -1.745) 4.839 1.631 ( -1.080 -0.000 9.209) 9.272 1.757 ( 5.811 0.000 2.554) 6.347 1.781 ( -0.940 -0.000 -3.393) 3.521 1.923 ( 5.362 0.000 4.555) 7.036 2.042 ( 5.593 0.000 -1.839) 5.888 2.079 ( -2.581 -0.000 -0.246) 2.593 2.188 ( 1.892 0.000 -4.595) 4.969 2.425 ( 1.069 0.000 -0.527) 1.192 2.470 ( 12.629 0.000 -15.591) 20.064 2.606 ( -7.479 -0.000 -5.159) 9.086 2.846 ( -4.889 -0.000 0.781) 4.951 3.061 ( 0.567 0.000 -4.791) 4.824 3.146 ( -3.922 -0.000 -3.148) 5.029 3.191 ( 7.620 0.000 1.212) 7.716 3.194 ( -2.478 -0.000 5.155) 5.720 3.241 ( -3.771 -0.000 4.118) 5.583 3.309 ( -3.648 -0.000 8.614) 9.355 3.438 ( 6.137 0.000 4.103) 7.382 3.443 ( -2.844 -0.000 -5.355) 6.063 3.597 ( 0.553 0.000 -3.682) 3.724 3.817 ( -9.177 -0.000 -4.290) 10.130 3.882 ( 9.499 0.000 3.988) 10.302 3.923 ( 0.993 0.000 2.290) 2.496 4.005 ( 2.563 0.000 -0.462) 2.605 4.172 ( -0.877 -0.000 6.205) 6.267 4.385 ( 3.083 0.000 -1.867) 3.604 4.510 ( -2.379 -0.000 0.491) 2.429 4.558 ( 4.376 0.000 1.582) 4.653 4.734 ( 3.159 0.000 1.625) 3.553 4.793 ( 0.343 0.000 -3.645) 3.661 4.874 ( 2.996 0.000 0.463) 3.031 4.945 ( -0.979 -0.000 -7.369) 7.434 5.233 ( -0.471 -0.000 3.882) 3.911 5.337 ( -4.805 -0.000 0.281) 4.813 5.450 ( 0.536 0.000 -7.721) 7.739 5.483 ( 3.939 0.000 -2.299) 4.561 5.946 ( 2.958 0.000 5.458) 6.208 6.015 ( 3.707 0.000 12.543) 13.079 6.081 ( -1.699 -0.000 -4.247) 4.575 6.150 ( -3.929 -0.000 7.331) 8.317 6.300 ( 1.217 0.000 3.210) 3.433 6.486 ( 5.277 0.000 -12.578) 13.640 6.715 ( -8.710 -0.000 1.771) 8.888 6.839 ( 4.540 0.000 0.451) 4.562 7.049 ( 1.549 0.000 1.957) 2.495 7.134 ( -2.503 -0.000 -4.604) 5.241 7.699 ( -1.982 -0.000 2.209) 2.968 7.805 ( 0.582 0.000 -1.562) 1.667 8.567 ( 2.743 0.000 1.828) 3.296 8.670 ( 2.589 0.000 -3.732) 4.542 9.072 ( -5.612 -0.000 7.342) 9.241 9.223 ( -3.252 -0.000 9.348) 9.898 9.687 ( 5.056 0.000 -12.248) 13.251 9.848 ( 1.573 0.000 -9.984) 10.107 10.295 ( -2.482 -0.000 6.210) 6.688 10.406 ( 5.048 0.000 0.718) 5.098 10.729 ( -1.720 -0.000 6.147) 6.383 10.910 ( 0.479 0.000 -2.255) 2.305 11.491 ( 0.385 0.000 8.346) 8.355 11.869 ( -5.046 -0.000 -13.104) 14.042 12.433 ( 8.542 0.000 6.379) 10.661 12.488 ( -5.164 -0.000 -3.245) 6.098 13.526 ( -5.850 -0.000 -0.994) 5.933 13.624 ( 5.887 0.000 -0.651) 5.923 ======================= Grid point 198 (89/138) ======================= q-point: (-0.36 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -9.358 2.600 -2.751) 10.095 0.997 ( -4.091 1.158 1.421) 4.483 1.164 ( -3.332 -5.846 -0.718) 6.767 1.207 ( -9.622 -4.243 7.940) 13.177 1.357 ( 4.079 0.511 6.409) 7.614 1.406 ( -0.425 0.699 -0.225) 0.849 1.534 ( -7.324 -1.256 -1.728) 7.630 1.581 ( -5.939 -1.092 -1.261) 6.168 1.697 ( 1.130 -4.510 6.602) 8.074 1.749 ( 1.628 -0.003 0.583) 1.730 1.830 ( -3.389 -2.974 -5.058) 6.776 1.965 ( 5.082 1.286 2.907) 5.994 2.073 ( 6.518 0.549 -0.535) 6.563 2.100 ( 1.379 -2.814 1.614) 3.525 2.205 ( 5.862 -0.560 -4.882) 7.649 2.399 ( 5.533 3.364 -4.586) 7.935 2.525 ( -8.351 0.479 -2.152) 8.638 2.597 ( 10.026 -5.122 -8.431) 14.065 2.803 ( -6.227 0.782 2.933) 6.928 3.041 ( -3.731 0.388 -4.243) 5.664 3.087 ( -2.127 2.250 -4.450) 5.421 3.162 ( -3.308 4.973 1.508) 6.160 3.177 ( 0.332 1.626 5.284) 5.539 3.224 ( -0.962 -0.020 2.174) 2.378 3.314 ( -2.550 0.112 3.071) 3.993 3.411 ( 4.516 1.652 -0.224) 4.814 3.475 ( 3.711 1.747 3.168) 5.183 3.590 ( 0.010 0.386 -2.741) 2.768 3.762 ( -4.930 -0.345 -3.208) 5.892 3.895 ( 5.598 4.196 3.695) 7.912 3.935 ( 1.217 -0.105 1.843) 2.211 4.027 ( 3.524 0.197 -0.222) 3.537 4.214 ( 0.236 -2.435 4.251) 4.905 4.403 ( 2.980 -0.020 -2.036) 3.609 4.513 ( 1.284 -0.653 1.149) 1.843 4.601 ( 4.575 -0.460 1.363) 4.796 4.777 ( 3.446 -0.606 -0.455) 3.528 4.817 ( 0.972 -3.047 -3.248) 4.558 4.916 ( 2.021 -1.802 0.099) 2.709 4.938 ( 0.419 -1.307 -4.230) 4.447 5.235 ( -0.823 -0.090 5.331) 5.395 5.344 ( -1.947 -1.838 1.004) 2.860 5.436 ( 1.052 -2.094 -4.896) 5.428 5.560 ( 3.842 -4.302 -2.276) 6.201 5.899 ( -1.039 6.597 5.767) 8.824 6.018 ( -0.767 0.113 3.345) 3.433 6.070 ( 1.724 2.049 1.146) 2.913 6.186 ( -1.989 -1.766 6.049) 6.608 6.300 ( 1.299 1.575 1.823) 2.737 6.396 ( 4.794 7.957 -13.312) 16.233 6.662 ( -7.465 -0.308 3.106) 8.092 6.918 ( 5.251 -2.603 0.997) 5.945 7.075 ( 1.073 -1.260 2.721) 3.184 7.105 ( -1.818 0.004 -4.697) 5.037 7.702 ( -3.449 -1.486 0.583) 3.800 7.811 ( 0.735 -0.973 -0.677) 1.394 8.568 ( 0.550 3.406 1.934) 3.955 8.668 ( 4.734 1.054 -2.501) 5.457 9.023 ( -4.642 1.068 4.332) 6.439 9.252 ( -2.731 -0.937 2.343) 3.719 9.624 ( 2.524 3.797 -6.075) 7.596 9.919 ( 2.573 -5.870 -9.604) 11.546 10.228 ( -4.094 6.643 10.530) 13.106 10.465 ( 5.242 -0.786 0.205) 5.304 10.707 ( -0.346 0.358 5.035) 5.059 10.935 ( 2.838 -1.166 -6.673) 7.345 11.499 ( -0.857 2.124 11.692) 11.914 11.838 ( -2.402 -2.308 -9.653) 10.211 12.362 ( -4.698 6.434 -2.491) 8.347 12.492 ( 9.021 2.532 1.828) 9.546 13.473 ( -7.896 0.159 -0.117) 7.898 13.694 ( 6.392 -2.568 -1.317) 7.013 ======================= Grid point 199 (90/138) ======================= q-point: (-0.27 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -8.336 -2.076 -1.448) 8.712 0.966 ( -4.829 -1.305 1.464) 5.212 1.200 ( -7.017 -2.207 -0.089) 7.357 1.258 ( -5.672 -3.488 4.436) 8.001 1.341 ( -0.302 0.598 -0.783) 1.031 1.474 ( -2.546 -7.689 3.261) 8.731 1.521 ( -4.942 -2.204 -2.947) 6.162 1.560 ( -4.494 -0.826 -0.327) 4.581 1.780 ( -2.322 -4.041 -3.181) 5.642 1.815 ( -4.644 -2.002 -3.642) 6.232 1.836 ( 5.908 -4.415 5.379) 9.128 1.953 ( 2.047 2.748 0.389) 3.449 2.112 ( 6.795 1.527 2.572) 7.425 2.199 ( 3.519 -4.026 5.460) 7.643 2.267 ( 8.035 0.380 -6.325) 10.233 2.351 ( 1.830 -0.092 -4.010) 4.409 2.489 ( -2.249 0.000 0.674) 2.347 2.710 ( 0.490 -0.441 3.024) 3.095 2.766 ( 0.305 -1.237 -1.349) 1.856 2.972 ( -7.307 1.531 -2.065) 7.746 3.024 ( 0.688 2.800 -4.235) 5.123 3.043 ( -4.189 3.883 -2.381) 6.189 3.160 ( 1.331 2.115 3.633) 4.410 3.216 ( -2.795 -1.646 -1.528) 3.585 3.303 ( 4.492 1.831 0.772) 4.912 3.425 ( 4.896 3.195 6.047) 8.411 3.452 ( 1.915 1.700 -0.997) 2.748 3.562 ( -1.543 1.557 -0.317) 2.215 3.727 ( -2.937 0.979 -0.014) 3.096 3.869 ( 3.717 1.984 0.694) 4.270 3.960 ( 0.515 -1.255 0.213) 1.373 4.043 ( 4.086 0.791 -0.847) 4.247 4.257 ( 0.291 -0.966 2.970) 3.137 4.417 ( 1.388 -0.085 -1.575) 2.101 4.552 ( 2.875 -0.716 2.467) 3.856 4.642 ( 4.766 -0.245 1.296) 4.945 4.767 ( -3.796 1.001 -1.902) 4.362 4.881 ( 2.099 -1.576 -2.621) 3.709 4.938 ( -0.417 -1.219 -0.419) 1.355 5.003 ( 3.231 -3.704 -0.562) 4.947 5.269 ( 0.193 -2.460 6.415) 6.873 5.344 ( -0.530 0.242 1.406) 1.522 5.523 ( 2.830 -4.919 -2.011) 6.021 5.659 ( 4.146 -2.306 -4.403) 6.473 5.793 ( -2.096 3.300 5.376) 6.647 6.013 ( -0.907 3.950 0.839) 4.138 6.021 ( -2.051 -0.450 3.454) 4.042 6.167 ( -0.326 3.022 1.021) 3.206 6.265 ( 1.925 3.138 -1.895) 4.140 6.294 ( 2.563 2.787 -7.472) 8.377 6.628 ( -5.398 0.306 4.585) 7.088 6.961 ( 7.717 3.055 -1.769) 8.486 7.096 ( -1.064 -0.547 -0.100) 1.200 7.123 ( -0.236 -3.003 0.681) 3.089 7.694 ( -4.744 -1.143 -1.663) 5.155 7.858 ( 2.407 -2.566 0.335) 3.534 8.463 ( -2.798 5.758 0.342) 6.411 8.686 ( 5.467 1.939 -0.949) 5.877 8.975 ( -6.905 1.993 4.164) 8.306 9.195 ( 0.909 3.558 -11.212) 11.798 9.611 ( -1.771 -1.395 5.499) 5.943 10.020 ( 2.677 -4.953 -8.621) 10.297 10.069 ( -7.121 8.314 14.379) 18.072 10.487 ( 3.470 1.494 -2.317) 4.432 10.742 ( 0.821 -1.645 3.280) 3.760 10.967 ( 6.862 -1.561 -10.680) 12.790 11.423 ( -5.321 6.548 11.153) 13.985 11.842 ( 2.081 1.404 -2.550) 3.578 12.208 ( -2.710 5.750 -3.162) 7.099 12.518 ( 13.896 3.282 0.493) 14.287 13.417 ( -10.604 -1.380 0.756) 10.721 13.784 ( 6.486 -2.134 -1.842) 7.072 ======================= Grid point 200 (91/138) ======================= q-point: (-0.18 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -4.423 -3.646 0.317) 5.741 0.988 ( -4.372 -4.640 -1.906) 6.654 1.146 ( -3.535 2.991 -1.465) 4.857 1.271 ( -6.833 -3.612 1.473) 7.868 1.367 ( -2.847 -2.416 1.167) 3.912 1.487 ( -5.830 0.179 -1.095) 5.935 1.558 ( -2.930 -2.214 -2.465) 4.423 1.625 ( -2.678 -7.490 3.545) 8.708 1.796 ( -7.984 -4.404 -5.196) 10.495 1.873 ( 3.001 -2.723 0.748) 4.120 1.878 ( -0.255 2.836 -2.445) 3.753 1.994 ( 6.755 -3.381 3.603) 8.369 2.133 ( 1.824 -0.482 5.168) 5.502 2.196 ( 2.990 4.278 -2.134) 5.638 2.329 ( 5.970 -2.708 1.042) 6.637 2.445 ( -2.231 2.477 -1.665) 3.726 2.478 ( 8.566 -4.962 1.720) 10.048 2.688 ( -3.908 -0.113 3.488) 5.240 2.785 ( 0.555 0.543 0.698) 1.044 2.868 ( -2.936 5.100 2.892) 6.557 2.972 ( -2.891 -0.594 -6.736) 7.354 3.022 ( 2.087 -1.838 -4.965) 5.691 3.145 ( 0.748 1.141 1.963) 2.391 3.238 ( -1.064 -2.327 -3.152) 4.059 3.307 ( 4.690 1.948 2.618) 5.713 3.367 ( 2.243 5.038 0.179) 5.518 3.443 ( -0.155 1.999 1.403) 2.447 3.536 ( 0.829 0.241 2.943) 3.067 3.689 ( -3.243 0.298 0.531) 3.300 3.878 ( 4.524 0.881 -0.197) 4.613 3.982 ( -0.918 -1.697 -2.461) 3.127 4.059 ( 4.918 0.488 -1.538) 5.176 4.264 ( -1.836 0.511 2.582) 3.209 4.418 ( 0.687 0.704 1.171) 1.530 4.538 ( -2.869 3.067 1.651) 4.512 4.692 ( -6.376 1.558 1.281) 6.687 4.705 ( 6.837 -0.943 -1.087) 6.987 4.886 ( 1.172 0.585 -1.161) 1.750 4.963 ( -0.732 -1.526 0.200) 1.704 5.089 ( 4.177 -2.112 -0.611) 4.720 5.334 ( -2.147 -2.676 4.760) 5.868 5.373 ( 3.255 -2.848 1.664) 4.634 5.600 ( 0.073 3.567 -6.199) 7.152 5.625 ( 4.653 -1.105 -3.884) 6.161 5.821 ( -0.360 -2.942 6.790) 7.409 5.960 ( -1.278 1.237 2.071) 2.730 6.023 ( -3.151 -1.236 0.507) 3.423 6.107 ( 1.042 3.392 -0.050) 3.548 6.224 ( -0.061 1.967 -4.133) 4.577 6.265 ( 2.193 0.693 -0.161) 2.305 6.591 ( -3.400 1.334 4.263) 5.614 6.930 ( 7.817 4.944 -4.577) 10.320 7.081 ( -2.407 1.798 3.760) 4.813 7.187 ( 1.737 -3.505 -0.975) 4.031 7.680 ( -3.873 -1.444 -2.814) 5.000 7.922 ( 2.682 -1.858 -0.208) 3.269 8.352 ( -1.784 4.072 -1.086) 4.577 8.636 ( 1.188 5.881 -1.036) 6.089 8.853 ( -10.064 4.839 2.900) 11.538 9.148 ( 1.635 -0.096 -7.038) 7.226 9.641 ( -2.572 -1.586 7.242) 7.847 9.910 ( -5.961 6.387 11.602) 14.524 10.097 ( 1.614 -3.608 -7.627) 8.590 10.440 ( 3.859 5.163 -6.581) 9.212 10.791 ( 0.234 -2.298 1.852) 2.961 11.007 ( 5.874 2.646 -2.989) 7.102 11.289 ( -7.081 2.029 0.552) 7.387 11.810 ( 4.400 3.409 1.427) 5.746 12.097 ( 1.197 5.186 -0.407) 5.338 12.556 ( 14.546 4.945 1.786) 15.467 13.372 ( -12.355 -2.346 -0.356) 12.580 13.855 ( 6.547 -0.977 -0.899) 6.680 ======================= Grid point 201 (92/138) ======================= q-point: (-0.09 -0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -1.882 -1.613 -2.358) 3.421 1.062 ( -2.121 -4.921 -4.828) 7.213 1.071 ( -3.932 0.380 1.491) 4.222 1.282 ( -1.326 0.552 -0.009) 1.436 1.374 ( -1.803 -1.460 -1.617) 2.828 1.446 ( -8.021 0.122 2.020) 8.272 1.555 ( -0.093 -0.207 -3.110) 3.118 1.686 ( -6.649 -0.631 9.302) 11.451 1.817 ( -0.702 -2.085 -4.157) 4.703 1.870 ( -0.803 -3.307 -3.454) 4.849 1.914 ( -1.926 -1.952 -0.752) 2.843 2.064 ( 1.939 -0.560 0.670) 2.127 2.158 ( 6.637 3.321 0.246) 7.426 2.211 ( 3.566 -3.201 8.127) 9.434 2.364 ( 5.216 4.817 1.882) 7.345 2.430 ( -1.470 -5.091 -2.284) 5.770 2.573 ( 2.982 0.394 0.489) 3.048 2.689 ( 0.500 -0.646 -2.510) 2.639 2.768 ( -3.606 0.111 -0.165) 3.611 2.808 ( 2.706 1.456 3.315) 4.520 2.989 ( 0.832 -2.863 -2.260) 3.741 3.051 ( 1.144 -0.167 -0.996) 1.526 3.126 ( 0.011 1.496 -0.209) 1.511 3.261 ( -2.596 -2.160 -3.856) 5.126 3.287 ( -1.335 3.192 -0.792) 3.549 3.316 ( 3.363 0.722 1.903) 3.931 3.384 ( -2.350 3.436 1.136) 4.315 3.575 ( 2.535 -1.684 4.186) 5.175 3.691 ( -0.424 -2.432 -2.153) 3.276 3.877 ( 4.490 2.877 1.000) 5.426 4.009 ( -3.331 -3.085 -1.519) 4.788 4.082 ( 6.047 0.980 -2.196) 6.508 4.225 ( -2.892 2.204 1.696) 4.012 4.386 ( -1.986 2.424 1.332) 3.406 4.467 ( -1.027 1.946 3.276) 3.947 4.617 ( -5.027 1.227 -1.270) 5.328 4.749 ( 0.160 0.015 -2.047) 2.053 4.906 ( 3.906 -0.382 0.516) 3.958 4.988 ( 1.533 -1.462 0.901) 2.302 5.122 ( 2.206 0.440 -0.894) 2.421 5.377 ( -1.769 -2.787 2.773) 4.311 5.467 ( 4.823 -3.274 -1.599) 6.044 5.512 ( -2.528 1.725 -4.420) 5.376 5.677 ( 1.076 -1.050 1.351) 2.021 5.853 ( 1.985 2.406 3.552) 4.727 5.931 ( -2.290 0.888 0.972) 2.642 6.022 ( 0.015 0.045 -0.382) 0.385 6.089 ( 0.768 -0.783 -0.132) 1.105 6.163 ( -1.931 1.908 -4.500) 5.256 6.307 ( 1.748 -2.625 3.721) 4.878 6.551 ( -1.912 2.076 4.988) 5.731 6.884 ( 4.822 3.751 -3.549) 7.065 7.016 ( -3.064 3.304 2.868) 5.341 7.264 ( 3.343 -2.563 -2.056) 4.688 7.683 ( -1.761 -1.805 -3.145) 4.031 7.960 ( 1.629 -0.837 -0.572) 1.918 8.278 ( -0.642 2.889 -2.551) 3.907 8.524 ( 0.803 4.910 0.698) 5.024 8.689 ( -10.558 5.072 1.798) 11.850 9.166 ( 0.548 -1.378 -2.790) 3.160 9.663 ( -2.779 -1.105 6.927) 7.546 9.811 ( -3.726 3.172 9.568) 10.747 10.145 ( 0.499 -2.775 -7.313) 7.838 10.345 ( 4.688 5.875 -9.307) 11.963 10.798 ( -1.789 1.723 -0.530) 2.540 10.962 ( 5.103 4.522 8.053) 10.552 11.259 ( -7.477 -3.718 -11.510) 14.220 11.812 ( 6.508 0.972 3.376) 7.396 12.047 ( 2.629 1.403 1.737) 3.449 12.522 ( 9.733 9.010 2.938) 13.585 13.319 ( -12.439 -1.800 -1.887) 12.709 13.914 ( 6.752 -0.419 0.687) 6.800 ======================= Grid point 209 (93/138) ======================= q-point: (-0.36 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -13.126 -0.000 -1.443) 13.205 0.968 ( -8.305 -0.000 -6.318) 10.436 0.995 ( -6.010 -0.000 0.524) 6.033 1.109 ( -13.295 -0.000 12.695) 18.383 1.399 ( 0.802 0.000 0.036) 0.803 1.431 ( -6.048 -0.000 0.251) 6.053 1.452 ( -1.804 -0.000 2.397) 3.000 1.572 ( 0.951 0.000 4.088) 4.198 1.651 ( -0.478 -0.000 0.281) 0.554 1.713 ( -4.596 -0.000 -2.484) 5.224 1.821 ( 2.398 0.000 0.392) 2.430 2.038 ( -0.278 -0.000 -5.378) 5.385 2.047 ( 8.701 0.000 3.834) 9.508 2.167 ( 10.589 0.000 2.598) 10.903 2.246 ( 9.362 0.000 -1.441) 9.473 2.445 ( -9.377 -0.000 -6.656) 11.499 2.507 ( 7.720 0.000 2.574) 8.138 2.575 ( 10.575 0.000 -13.719) 17.322 2.772 ( -7.078 -0.000 5.605) 9.029 3.000 ( -7.969 -0.000 -1.648) 8.138 3.067 ( -4.033 -0.000 -6.657) 7.783 3.150 ( -7.150 -0.000 -0.769) 7.191 3.172 ( -3.695 -0.000 2.888) 4.690 3.282 ( -5.375 -0.000 9.784) 11.163 3.311 ( 8.118 0.000 -0.516) 8.134 3.457 ( 6.506 0.000 -3.363) 7.324 3.534 ( 3.105 0.000 7.278) 7.913 3.582 ( -0.904 -0.000 -2.861) 3.001 3.720 ( -1.920 -0.000 -3.745) 4.208 3.910 ( -1.672 -0.000 2.851) 3.305 4.022 ( 0.889 0.000 -3.123) 3.247 4.070 ( 10.265 0.000 5.242) 11.526 4.201 ( 1.836 0.000 5.161) 5.478 4.427 ( 3.967 0.000 -2.081) 4.479 4.535 ( 5.423 0.000 2.826) 6.115 4.633 ( 3.773 0.000 1.992) 4.266 4.804 ( 3.710 0.000 -3.513) 5.109 4.806 ( 7.295 0.000 -2.358) 7.666 4.912 ( -0.296 -0.000 -3.816) 3.828 4.915 ( 1.340 0.000 0.661) 1.494 5.257 ( 0.703 0.000 4.399) 4.455 5.282 ( -1.987 -0.000 1.651) 2.584 5.426 ( 1.074 0.000 -6.976) 7.058 5.536 ( 4.529 0.000 -1.518) 4.777 5.999 ( 0.937 0.000 2.460) 2.632 6.009 ( -2.228 -0.000 -2.546) 3.383 6.113 ( -5.799 -0.000 7.837) 9.749 6.137 ( 2.637 0.000 6.920) 7.406 6.335 ( 1.927 0.000 2.563) 3.207 6.505 ( 6.469 0.000 -16.164) 17.411 6.596 ( -8.508 -0.000 0.979) 8.564 6.904 ( 2.908 0.000 3.708) 4.712 7.078 ( 0.367 0.000 3.887) 3.905 7.099 ( 1.658 0.000 -3.728) 4.080 7.666 ( -3.746 -0.000 1.376) 3.991 7.793 ( -1.296 -0.000 -1.618) 2.073 8.646 ( 7.009 0.000 2.973) 7.614 8.697 ( 3.090 0.000 -4.207) 5.219 8.998 ( -8.812 -0.000 6.811) 11.138 9.223 ( -2.192 -0.000 6.488) 6.848 9.694 ( 3.148 0.000 -10.243) 10.716 9.842 ( 3.893 0.000 -9.651) 10.406 10.315 ( 0.464 0.000 8.250) 8.263 10.505 ( 7.197 0.000 1.012) 7.268 10.721 ( -3.402 -0.000 6.306) 7.165 10.916 ( 2.684 0.000 -2.865) 3.926 11.549 ( 1.524 0.000 11.386) 11.488 11.746 ( -4.458 -0.000 -11.019) 11.886 12.381 ( -6.949 -0.000 -4.542) 8.302 12.572 ( 7.137 0.000 2.038) 7.422 13.429 ( -6.326 -0.000 0.845) 6.382 13.705 ( 5.644 0.000 -2.733) 6.271 ======================= Grid point 210 (94/138) ======================= q-point: (-0.27 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -12.139 0.846 -2.709) 12.466 0.930 ( -6.555 0.039 3.662) 7.509 1.047 ( -10.152 -8.426 -5.097) 14.144 1.072 ( -12.495 -4.581 8.985) 16.057 1.360 ( -6.032 0.309 -0.487) 6.060 1.405 ( -3.936 0.241 -2.211) 4.521 1.455 ( -0.677 -0.827 4.004) 4.144 1.555 ( 1.399 2.221 0.092) 2.627 1.671 ( -4.218 -2.751 -6.306) 8.070 1.731 ( -0.760 -3.750 2.294) 4.461 1.851 ( 4.177 -1.292 2.218) 4.903 2.022 ( 4.393 1.744 -2.797) 5.492 2.163 ( 7.981 -4.096 4.241) 9.923 2.226 ( 9.422 2.386 2.060) 9.935 2.316 ( 6.270 0.863 -3.382) 7.176 2.353 ( -1.097 1.008 -2.055) 2.539 2.521 ( 6.250 2.111 -1.470) 6.758 2.686 ( 3.894 -3.503 -4.815) 7.115 2.732 ( -4.057 -0.393 4.026) 5.729 2.919 ( -10.082 0.307 -1.212) 10.159 3.016 ( -4.446 0.652 -7.095) 8.398 3.096 ( -3.697 1.748 -1.282) 4.285 3.154 ( -4.930 -0.698 -0.255) 4.986 3.224 ( -1.222 2.991 7.577) 8.237 3.364 ( 5.841 0.595 -1.013) 5.958 3.494 ( 7.059 1.067 0.516) 7.158 3.533 ( 0.623 2.641 2.102) 3.433 3.569 ( -1.286 0.690 2.822) 3.177 3.706 ( -1.584 -0.121 -2.599) 3.046 3.903 ( -2.259 0.574 1.626) 2.842 3.991 ( 2.694 2.014 -1.041) 3.521 4.123 ( 7.812 2.313 3.413) 8.833 4.249 ( 1.985 -1.333 2.985) 3.824 4.435 ( 3.117 1.215 -3.290) 4.692 4.586 ( 5.558 0.769 4.310) 7.076 4.670 ( 5.339 -0.916 1.774) 5.700 4.784 ( 0.488 3.205 -3.379) 4.683 4.876 ( 6.605 -1.280 -2.452) 7.161 4.925 ( 1.209 -1.044 -0.701) 1.745 4.948 ( 0.467 -3.501 0.228) 3.539 5.248 ( -0.562 -0.561 5.316) 5.375 5.351 ( 2.636 -1.570 0.426) 3.097 5.446 ( 2.739 -4.103 -2.335) 5.458 5.608 ( 4.157 -4.072 -1.887) 6.117 5.895 ( -1.617 7.171 1.686) 7.541 5.999 ( -2.479 -0.030 0.277) 2.494 6.071 ( -3.179 1.914 2.493) 4.471 6.192 ( -0.884 -0.478 2.742) 2.920 6.328 ( 1.674 2.550 0.394) 3.076 6.408 ( 4.907 8.297 -11.358) 14.897 6.564 ( -7.985 -2.510 2.702) 8.796 7.002 ( 3.802 -5.110 1.512) 6.547 7.079 ( 1.476 1.111 -0.519) 1.919 7.115 ( 3.879 0.043 2.206) 4.462 7.643 ( -4.612 -0.434 -0.277) 4.641 7.809 ( -0.732 -3.100 -0.867) 3.301 8.589 ( 1.026 7.965 1.367) 8.147 8.745 ( 7.147 -0.120 -1.475) 7.299 8.945 ( -9.278 0.455 5.439) 10.764 9.226 ( -0.802 0.679 -3.808) 3.950 9.632 ( 1.387 3.534 -2.608) 4.606 9.920 ( 3.328 -5.398 -8.605) 10.689 10.221 ( -4.970 9.944 13.890) 17.791 10.533 ( 3.418 1.659 0.160) 3.802 10.721 ( -1.096 -1.818 4.886) 5.327 10.973 ( 7.656 -1.501 -8.138) 11.274 11.536 ( -1.030 4.919 9.642) 10.873 11.796 ( 1.085 -6.825 -2.397) 7.314 12.266 ( -4.958 4.050 -3.882) 7.487 12.634 ( 8.340 -0.950 -1.699) 8.564 13.359 ( -6.908 2.712 2.500) 7.832 13.771 ( 5.436 -3.326 -4.508) 7.806 ======================= Grid point 211 (95/138) ======================= q-point: (-0.18 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -7.234 -5.750 0.298) 9.245 0.907 ( -4.963 -1.275 4.988) 7.151 1.079 ( -8.270 -4.913 1.728) 9.773 1.165 ( -7.772 -8.799 -3.143) 12.153 1.273 ( -7.254 2.043 -3.163) 8.173 1.389 ( -6.587 -3.240 -1.357) 7.465 1.505 ( 0.285 -3.210 4.140) 5.246 1.540 ( -1.913 -0.892 1.346) 2.503 1.678 ( -1.129 -1.128 -5.518) 5.745 1.805 ( -0.195 -5.075 -2.654) 5.730 1.921 ( 1.952 -0.600 -0.079) 2.043 2.024 ( 7.747 0.461 1.195) 7.852 2.210 ( 3.790 4.687 3.242) 6.844 2.234 ( -2.868 1.917 -5.795) 6.745 2.320 ( 9.168 -3.302 6.114) 11.504 2.465 ( 11.107 -4.042 1.393) 11.901 2.521 ( 4.936 2.430 -0.673) 5.543 2.658 ( -6.544 0.046 7.168) 9.706 2.754 ( -5.927 -0.896 -3.546) 6.965 2.891 ( -0.155 -1.151 -4.836) 4.973 2.960 ( -3.091 -0.132 -4.656) 5.591 3.022 ( -0.238 3.626 -0.898) 3.743 3.125 ( -5.716 -0.952 0.361) 5.806 3.224 ( 1.771 -0.260 4.035) 4.414 3.377 ( 5.324 1.722 -1.566) 5.810 3.452 ( -0.637 4.228 -5.402) 6.889 3.516 ( 1.877 3.456 7.765) 8.704 3.560 ( 1.974 0.179 4.793) 5.187 3.670 ( -4.543 1.192 -1.302) 4.874 3.881 ( -0.266 -0.436 -1.309) 1.405 3.992 ( 2.928 0.792 -0.936) 3.175 4.133 ( 7.660 2.562 1.218) 8.168 4.269 ( -0.545 0.400 1.613) 1.749 4.427 ( 1.685 0.189 -3.982) 4.328 4.575 ( -2.689 2.767 3.012) 4.895 4.689 ( -4.561 3.135 -0.128) 5.536 4.760 ( 9.467 -0.092 2.325) 9.749 4.902 ( 1.813 0.420 -2.875) 3.424 4.952 ( 2.360 -0.542 2.507) 3.485 5.048 ( 3.030 -4.790 0.600) 5.699 5.292 ( -0.551 -2.169 5.035) 5.510 5.368 ( 2.988 -0.043 1.225) 3.229 5.568 ( 3.937 -4.507 -0.311) 5.992 5.686 ( 3.429 0.334 -8.064) 8.769 5.796 ( -0.488 1.541 2.985) 3.395 5.983 ( -3.714 -0.585 0.446) 3.786 5.993 ( -2.593 3.178 1.367) 4.323 6.156 ( -1.476 2.139 -1.667) 3.088 6.273 ( 0.714 4.149 -2.920) 5.124 6.315 ( 3.166 2.862 -1.527) 4.533 6.568 ( -5.829 -1.824 5.140) 7.983 7.053 ( 3.861 3.259 -4.190) 6.564 7.080 ( -0.702 -1.095 1.095) 1.700 7.175 ( 8.408 -0.984 3.899) 9.320 7.622 ( -3.764 -1.115 -2.002) 4.407 7.879 ( 0.670 -4.065 -0.994) 4.238 8.441 ( -0.880 7.179 0.120) 7.234 8.747 ( 4.435 4.427 -2.898) 6.904 8.847 ( -13.581 2.834 5.210) 14.819 9.164 ( 0.916 2.535 -9.142) 9.531 9.620 ( -0.790 -0.826 6.641) 6.739 10.004 ( -4.623 0.563 3.866) 6.053 10.030 ( -2.401 3.471 2.945) 5.146 10.519 ( 2.464 2.167 -2.960) 4.419 10.759 ( -0.698 -1.698 3.091) 3.595 11.029 ( 7.998 -1.209 -11.154) 13.778 11.397 ( -3.698 9.927 7.932) 13.235 11.859 ( 0.471 0.306 0.287) 0.631 12.215 ( 5.060 3.014 1.582) 6.098 12.720 ( 13.174 0.009 -3.397) 13.605 13.266 ( -9.370 1.116 3.190) 9.961 13.865 ( 6.701 -2.956 -4.774) 8.742 ======================= Grid point 212 (96/138) ======================= q-point: (-0.09 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -1.732 -5.464 1.317) 5.881 0.936 ( -1.393 -4.242 0.796) 4.536 1.076 ( -4.306 1.336 -3.795) 5.893 1.198 ( -4.934 -3.820 3.713) 7.261 1.297 ( -5.733 -7.296 -4.202) 10.186 1.399 ( -6.379 -1.806 2.239) 6.998 1.534 ( 0.867 -0.658 -1.499) 1.852 1.593 ( -6.761 -4.813 7.546) 11.216 1.696 ( -0.173 -3.853 -6.555) 7.605 1.869 ( 0.773 3.521 -5.292) 6.403 1.889 ( 1.021 -3.478 -4.478) 5.761 2.109 ( 5.224 1.684 2.524) 6.041 2.184 ( -0.522 -1.425 -2.462) 2.892 2.204 ( 4.629 -1.612 6.635) 8.249 2.409 ( 2.987 1.458 4.178) 5.339 2.503 ( 8.313 2.766 1.319) 8.859 2.594 ( 5.026 -1.487 1.831) 5.551 2.651 ( -4.644 -0.807 -0.286) 4.723 2.737 ( -1.167 -2.011 -0.342) 2.350 2.894 ( 1.927 1.641 0.399) 2.562 2.920 ( 0.165 -0.564 -2.512) 2.580 3.013 ( -0.761 -2.391 -3.721) 4.488 3.110 ( -6.194 -1.564 1.200) 6.500 3.244 ( 2.213 0.995 1.989) 3.137 3.342 ( -2.474 4.319 -4.112) 6.457 3.373 ( 3.240 2.444 -1.845) 4.458 3.459 ( -1.156 4.562 6.091) 7.697 3.590 ( 0.149 -0.324 7.092) 7.101 3.637 ( 0.801 -1.441 -4.103) 4.422 3.907 ( -0.350 -2.167 -1.233) 2.518 3.982 ( 2.103 1.984 -1.546) 3.279 4.156 ( 8.352 1.400 -0.457) 8.480 4.236 ( -2.914 1.647 0.794) 3.440 4.438 ( 1.643 0.517 -1.435) 2.242 4.464 ( -7.394 3.422 0.110) 8.148 4.605 ( -5.195 2.313 1.652) 5.921 4.790 ( 2.303 2.570 1.900) 3.939 4.911 ( 1.925 -0.747 -1.565) 2.591 4.995 ( 5.463 -0.630 3.283) 6.405 5.141 ( 2.869 -2.098 -0.887) 3.663 5.319 ( -1.997 -1.391 4.744) 5.332 5.433 ( 4.156 -3.106 0.383) 5.203 5.560 ( -0.242 5.331 -9.469) 10.869 5.677 ( 4.126 -0.911 -1.384) 4.446 5.844 ( 0.022 -4.057 1.462) 4.313 5.924 ( -5.860 1.052 3.971) 7.157 6.014 ( 3.244 -1.571 -1.146) 3.782 6.107 ( -1.244 1.493 -0.544) 2.019 6.184 ( -1.111 3.889 -5.498) 6.826 6.312 ( 2.052 0.409 3.614) 4.176 6.568 ( -3.221 -0.138 6.780) 7.508 6.996 ( 3.874 4.733 -4.860) 7.812 7.053 ( -3.627 2.328 3.504) 5.555 7.267 ( 9.388 -0.995 0.305) 9.446 7.628 ( -1.264 -2.073 -2.747) 3.666 7.941 ( 0.773 -2.124 -1.679) 2.815 8.326 ( -1.586 4.164 -2.684) 5.202 8.648 ( 1.924 6.747 -0.109) 7.017 8.689 ( -14.058 3.923 2.786) 14.858 9.139 ( 0.050 -0.457 -3.306) 3.337 9.647 ( -1.475 -0.751 7.225) 7.412 9.865 ( -7.367 4.570 10.887) 13.917 10.077 ( 0.458 -3.010 -7.182) 7.801 10.459 ( 3.220 5.025 -7.331) 9.453 10.787 ( -1.818 -1.101 0.923) 2.317 11.072 ( 4.532 -0.418 -7.155) 8.480 11.210 ( -3.831 7.277 5.362) 9.817 11.864 ( 2.273 0.048 2.688) 3.520 12.166 ( 6.931 6.792 1.486) 9.817 12.751 ( 10.347 6.057 -3.636) 12.528 13.206 ( -9.140 -0.677 4.303) 10.125 13.949 ( 7.751 -1.459 -3.385) 8.583 ======================= Grid point 221 (97/138) ======================= q-point: (-0.27 -0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -14.812 -0.000 -1.753) 14.915 0.759 ( -15.048 -0.000 -8.711) 17.388 0.953 ( -17.345 -0.000 16.837) 24.173 0.964 ( 0.101 0.000 4.923) 4.924 1.314 ( -8.425 -0.000 2.694) 8.845 1.346 ( -2.727 -0.000 -7.920) 8.376 1.493 ( 3.712 0.000 2.229) 4.330 1.557 ( -5.230 -0.000 -10.576) 11.798 1.631 ( 2.127 0.000 0.951) 2.329 1.701 ( -1.402 -0.000 4.911) 5.107 1.843 ( 0.415 0.000 -0.660) 0.780 2.078 ( 9.148 0.000 -3.446) 9.775 2.198 ( 8.984 0.000 5.103) 10.332 2.266 ( -2.298 -0.000 -6.689) 7.073 2.375 ( 6.934 0.000 6.412) 9.445 2.410 ( 12.667 0.000 0.421) 12.674 2.623 ( 5.847 0.000 -2.075) 6.204 2.638 ( 4.229 0.000 -10.222) 11.063 2.721 ( -1.996 -0.000 7.284) 7.552 2.831 ( -12.172 -0.000 0.660) 12.190 2.970 ( -4.761 -0.000 -7.656) 9.015 3.070 ( -3.202 -0.000 -3.537) 4.771 3.121 ( -3.420 -0.000 0.001) 3.420 3.253 ( -4.870 -0.000 9.960) 11.086 3.409 ( 6.892 0.000 -3.833) 7.886 3.532 ( -3.104 -0.000 -2.116) 3.757 3.568 ( 7.578 0.000 -0.125) 7.579 3.601 ( 1.238 0.000 8.871) 8.957 3.690 ( -1.563 -0.000 -3.728) 4.043 3.895 ( -2.384 -0.000 2.832) 3.702 4.020 ( 1.185 0.000 -2.002) 2.326 4.203 ( 4.584 0.000 4.436) 6.379 4.269 ( 5.155 0.000 1.724) 5.435 4.475 ( 4.249 0.000 -3.543) 5.532 4.670 ( 0.638 0.000 1.404) 1.542 4.705 ( 14.585 0.000 8.824) 17.047 4.858 ( 3.406 0.000 -1.754) 3.831 4.887 ( -1.796 -0.000 -0.768) 1.953 4.905 ( -0.673 -0.000 -0.196) 0.700 4.922 ( 10.252 0.000 -4.333) 11.130 5.272 ( -1.283 -0.000 2.468) 2.782 5.334 ( 7.271 0.000 5.521) 9.130 5.419 ( 2.097 0.000 -5.980) 6.337 5.596 ( 4.882 0.000 -1.822) 5.210 5.974 ( -5.159 -0.000 0.256) 5.165 5.978 ( -0.411 -0.000 -2.839) 2.868 6.068 ( -4.318 -0.000 3.875) 5.802 6.170 ( -1.312 -0.000 4.508) 4.695 6.369 ( 1.051 0.000 1.030) 1.472 6.447 ( -6.670 -0.000 -8.813) 11.052 6.559 ( 5.345 0.000 -5.865) 7.935 6.945 ( 0.817 0.000 4.149) 4.228 7.093 ( -1.181 -0.000 5.414) 5.541 7.177 ( 9.986 0.000 -0.548) 10.001 7.608 ( -4.855 -0.000 0.946) 4.947 7.756 ( -2.573 -0.000 -1.653) 3.058 8.701 ( -1.698 -0.000 -0.178) 1.707 8.792 ( 10.957 0.000 2.152) 11.166 8.901 ( -6.850 -0.000 2.563) 7.314 9.205 ( -2.632 -0.000 -1.906) 3.249 9.687 ( 1.062 0.000 -4.855) 4.970 9.868 ( 5.492 0.000 -9.041) 10.578 10.387 ( 2.932 0.000 13.926) 14.231 10.587 ( 2.594 0.000 1.412) 2.954 10.694 ( -4.316 -0.000 7.293) 8.474 10.982 ( 8.694 0.000 -3.209) 9.267 11.645 ( -3.015 -0.000 -8.767) 9.271 11.650 ( 4.247 0.000 16.558) 17.094 12.255 ( -7.569 -0.000 -4.289) 8.699 12.614 ( -1.270 -0.000 -5.315) 5.465 13.399 ( 0.853 0.000 6.734) 6.788 13.735 ( 1.585 0.000 -9.931) 10.057 ======================= Grid point 222 (98/138) ======================= q-point: (-0.18 -0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -11.954 -3.308 1.162) 12.458 0.780 ( -13.942 -9.918 -5.463) 17.960 0.893 ( -13.932 -3.366 14.178) 20.161 1.012 ( 0.810 -2.398 5.760) 6.292 1.259 ( -7.119 0.970 -1.344) 7.310 1.311 ( -3.209 -0.027 -8.048) 8.664 1.483 ( -3.445 0.606 3.445) 4.909 1.515 ( 2.886 -0.255 -5.940) 6.609 1.672 ( 1.005 -2.005 -2.604) 3.436 1.725 ( 0.170 -2.264 2.706) 3.533 1.881 ( -0.349 -3.534 -0.746) 3.629 2.109 ( 9.681 2.927 -3.645) 10.751 2.227 ( -2.978 0.311 -2.590) 3.959 2.297 ( 6.384 -1.038 4.016) 7.613 2.411 ( 10.832 3.764 3.030) 11.861 2.508 ( 12.248 -0.579 0.805) 12.288 2.579 ( 0.064 1.677 -2.410) 2.937 2.652 ( -4.118 1.880 8.072) 9.254 2.666 ( -7.397 -0.379 -6.289) 9.717 2.857 ( 3.730 -3.118 -2.008) 5.260 2.913 ( -4.644 0.034 -7.097) 8.481 3.042 ( -2.902 -0.016 -2.408) 3.771 3.095 ( -2.292 1.009 0.080) 2.506 3.237 ( -2.089 0.080 9.394) 9.624 3.436 ( 5.652 1.019 -5.235) 7.771 3.478 ( -5.496 1.575 -2.060) 6.077 3.593 ( -0.130 2.336 6.269) 6.691 3.615 ( 4.873 1.667 4.818) 7.053 3.665 ( -1.024 0.638 -3.454) 3.658 3.875 ( -2.571 0.553 0.932) 2.790 4.021 ( 2.453 0.509 -0.957) 2.682 4.223 ( 2.742 1.297 2.749) 4.094 4.297 ( 4.723 1.451 0.533) 4.969 4.461 ( 3.514 2.983 -6.377) 7.869 4.625 ( -1.329 3.508 3.303) 4.999 4.752 ( -2.516 6.575 1.432) 7.184 4.845 ( 9.895 0.855 2.111) 10.153 4.892 ( -0.530 -2.204 -1.475) 2.704 4.972 ( 5.576 -1.951 4.836) 7.634 5.003 ( 6.937 -2.083 -1.091) 7.324 5.265 ( -0.372 -1.270 3.272) 3.529 5.410 ( 5.445 0.912 -2.642) 6.121 5.505 ( 6.336 -6.252 2.862) 9.350 5.659 ( 4.090 -2.852 -3.142) 5.893 5.872 ( -3.111 5.803 1.977) 6.875 5.949 ( -3.465 0.257 -2.107) 4.063 6.021 ( -3.865 1.819 -0.590) 4.312 6.168 ( -2.589 1.170 -2.131) 3.552 6.339 ( 0.091 2.071 -2.209) 3.029 6.423 ( 0.708 3.225 -6.143) 6.974 6.479 ( -4.258 1.179 6.864) 8.163 7.036 ( 2.374 -3.819 -0.181) 4.501 7.092 ( -0.881 0.547 4.468) 4.587 7.262 ( 13.260 -0.692 0.490) 13.287 7.580 ( -3.269 -0.402 0.028) 3.294 7.783 ( -1.922 -4.826 -1.505) 5.408 8.596 ( -1.526 8.370 2.152) 8.776 8.811 ( -11.380 3.497 4.754) 12.819 8.851 ( 7.555 2.805 -6.731) 10.501 9.176 ( -2.436 0.500 -7.843) 8.228 9.645 ( 0.337 2.443 3.363) 4.170 9.934 ( 3.475 -3.820 -6.771) 8.515 10.212 ( -7.190 15.851 20.700) 27.045 10.560 ( 0.635 2.002 -0.506) 2.161 10.718 ( -2.301 -2.632 4.844) 5.974 11.073 ( 11.096 0.594 -9.661) 14.724 11.559 ( 0.649 5.676 3.085) 6.493 11.843 ( 2.591 -3.702 5.800) 7.353 12.231 ( 2.962 -5.279 3.207) 6.850 12.669 ( -0.466 -7.991 -7.509) 10.975 13.341 ( 1.625 7.320 6.563) 9.965 13.796 ( 3.075 -6.889 -11.795) 14.001 ======================= Grid point 223 (99/138) ======================= q-point: (-0.09 -0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -3.702 -9.748 3.498) 10.998 0.858 ( -6.756 -6.552 4.914) 10.617 0.974 ( -7.144 -10.192 0.752) 12.469 1.069 ( -3.990 -3.647 -0.322) 5.415 1.156 ( -5.029 2.063 -0.209) 5.440 1.312 ( -2.568 -3.061 -3.567) 5.356 1.491 ( -4.432 -2.349 4.011) 6.422 1.528 ( -0.003 -0.439 -0.010) 0.440 1.692 ( 4.376 0.414 -3.752) 5.779 1.781 ( -1.331 -4.442 -3.606) 5.874 1.926 ( 2.533 0.323 -4.982) 5.598 2.133 ( 6.508 -0.576 -3.160) 7.258 2.211 ( 0.113 0.357 3.122) 3.144 2.246 ( -0.078 4.396 3.107) 5.384 2.466 ( 3.170 0.922 3.388) 4.730 2.550 ( -0.806 -1.539 0.515) 1.811 2.589 ( 1.618 -1.978 3.320) 4.190 2.626 ( -0.287 0.486 -4.137) 4.175 2.701 ( 6.446 -2.561 3.044) 7.575 2.847 ( -0.354 -1.649 -7.679) 7.863 2.939 ( 0.249 -1.455 -0.457) 1.545 3.007 ( -1.526 2.045 -1.205) 2.822 3.057 ( -3.571 0.738 2.898) 4.657 3.268 ( 0.408 -1.171 7.615) 7.715 3.384 ( -3.958 2.944 -3.611) 6.113 3.439 ( 3.882 2.486 -4.946) 6.761 3.524 ( -7.359 3.275 4.640) 9.296 3.593 ( 0.343 2.328 4.775) 5.323 3.669 ( 6.021 0.856 -0.836) 6.139 3.865 ( -1.617 -1.123 -1.491) 2.470 4.025 ( 2.462 0.958 -1.159) 2.885 4.211 ( -0.869 1.077 0.670) 1.538 4.288 ( 5.777 3.165 0.124) 6.589 4.413 ( -0.186 1.219 -6.875) 6.985 4.538 ( -3.269 5.123 4.415) 7.512 4.631 ( -4.147 3.683 0.647) 5.583 4.859 ( 1.641 2.004 1.991) 3.267 4.904 ( 1.151 -0.286 -3.187) 3.400 5.054 ( 6.855 0.527 5.855) 9.031 5.094 ( 3.377 -3.470 1.616) 5.105 5.306 ( 0.148 -1.418 2.586) 2.953 5.437 ( 6.034 -0.332 0.921) 6.113 5.613 ( 1.409 1.163 -4.222) 4.600 5.688 ( 3.687 -1.119 -7.614) 8.534 5.793 ( -1.014 0.519 -0.210) 1.158 5.903 ( -7.596 1.306 3.399) 8.424 6.002 ( 3.288 -1.945 -1.026) 3.956 6.109 ( -3.227 1.403 -3.118) 4.701 6.267 ( 0.296 5.501 -2.211) 5.936 6.354 ( 1.674 2.044 2.104) 3.377 6.521 ( -4.404 -3.821 8.228) 10.084 7.062 ( -1.756 0.702 1.368) 2.334 7.071 ( 0.709 2.405 -0.328) 2.529 7.365 ( 14.023 1.206 -1.119) 14.119 7.586 ( 0.542 -1.401 -0.312) 1.534 7.873 ( 0.151 -5.158 -2.954) 5.946 8.415 ( -2.852 8.283 -2.614) 9.142 8.643 ( -17.723 3.244 5.021) 18.704 8.789 ( 4.390 5.775 -5.382) 9.033 9.139 ( -0.554 0.865 -1.998) 2.247 9.645 ( -0.629 -0.386 7.767) 7.802 9.935 ( -9.697 6.431 14.060) 18.251 10.025 ( 1.402 -0.616 -3.718) 4.021 10.530 ( 1.288 2.225 -3.628) 4.446 10.749 ( -2.228 -1.636 2.284) 3.586 11.070 ( 4.961 1.862 -13.143) 14.171 11.405 ( 0.082 11.052 7.528) 13.373 11.867 ( 0.855 -1.033 0.467) 1.420 12.344 ( 8.955 3.665 5.179) 10.975 12.786 ( -1.022 -4.069 -8.439) 9.424 13.261 ( 4.932 5.660 10.638) 13.021 13.937 ( 8.788 -5.425 -10.700) 14.871 ======================= Grid point 233 (100/138) ======================= q-point: (-0.18 -0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -17.351 -0.000 -5.410) 18.175 0.520 ( -14.548 -0.000 4.650) 15.273 0.783 ( -18.511 -0.000 22.501) 29.137 1.045 ( 7.327 0.000 5.132) 8.945 1.216 ( -6.669 -0.000 0.027) 6.669 1.284 ( 0.794 0.000 -11.982) 12.008 1.465 ( -1.192 -0.000 -5.838) 5.958 1.570 ( 4.802 0.000 3.481) 5.931 1.599 ( -5.012 -0.000 -7.008) 8.616 1.708 ( -0.011 -0.000 4.646) 4.646 1.843 ( 1.918 0.000 -1.095) 2.208 2.191 ( -5.610 -0.000 0.907) 5.683 2.237 ( 14.211 0.000 -4.359) 14.865 2.322 ( 5.232 0.000 2.025) 5.610 2.519 ( 5.141 0.000 1.284) 5.299 2.521 ( -13.023 -0.000 -1.584) 13.119 2.601 ( 11.856 0.000 -0.485) 11.866 2.621 ( 2.335 0.000 -3.274) 4.021 2.786 ( 4.428 0.000 4.224) 6.119 2.800 ( 5.264 0.000 -5.720) 7.773 2.870 ( -2.724 -0.000 -7.744) 8.209 3.015 ( -2.532 -0.000 -2.926) 3.869 3.100 ( 1.083 0.000 -1.278) 1.676 3.241 ( -3.458 -0.000 11.427) 11.938 3.433 ( -7.799 -0.000 -3.757) 8.656 3.473 ( 3.843 0.000 -4.129) 5.640 3.600 ( -7.370 -0.000 3.012) 7.962 3.670 ( 1.797 0.000 2.009) 2.696 3.684 ( 7.797 0.000 -1.034) 7.866 3.860 ( -4.064 -0.000 1.814) 4.451 4.041 ( 1.713 0.000 0.388) 1.757 4.248 ( 0.120 0.000 2.276) 2.280 4.363 ( 7.665 0.000 -0.777) 7.704 4.514 ( 4.380 0.000 -5.611) 7.118 4.671 ( -0.704 -0.000 -0.579) 0.911 4.823 ( -4.504 -0.000 2.923) 5.369 4.850 ( -3.018 -0.000 0.864) 3.139 4.939 ( 8.417 0.000 -5.975) 10.322 5.037 ( 15.873 0.000 16.877) 23.168 5.039 ( 7.948 0.000 -4.635) 9.201 5.249 ( -2.213 -0.000 1.373) 2.605 5.430 ( 3.067 0.000 -4.808) 5.703 5.517 ( 12.880 0.000 6.712) 14.524 5.658 ( 5.226 0.000 -2.748) 5.905 5.876 ( -7.909 -0.000 0.180) 7.911 5.964 ( -0.216 -0.000 -2.205) 2.215 6.009 ( -4.219 -0.000 -2.659) 4.987 6.157 ( -2.716 -0.000 3.455) 4.395 6.299 ( -8.383 -0.000 -6.920) 10.871 6.367 ( -1.355 -0.000 -0.429) 1.421 6.650 ( 10.265 0.000 -0.151) 10.266 6.992 ( 3.587 0.000 4.421) 5.693 7.107 ( -0.349 -0.000 9.031) 9.038 7.308 ( 5.490 0.000 -2.668) 6.104 7.565 ( -0.030 -0.000 2.284) 2.285 7.710 ( -2.741 -0.000 -1.390) 3.073 8.636 ( -10.177 -0.000 9.709) 14.066 8.849 ( 0.962 0.000 -5.790) 5.870 8.908 ( 3.324 0.000 -18.658) 18.952 9.125 ( -3.931 -0.000 -0.873) 4.027 9.688 ( -0.331 -0.000 2.880) 2.899 9.910 ( 5.732 0.000 -8.372) 10.146 10.535 ( 7.160 0.000 12.144) 14.097 10.596 ( -1.466 -0.000 1.429) 2.047 10.699 ( 0.615 0.000 20.404) 20.413 11.115 ( 9.955 0.000 -1.232) 10.030 11.597 ( 2.395 0.000 -7.049) 7.445 11.846 ( 10.204 0.000 24.412) 26.459 12.148 ( -3.996 -0.000 2.717) 4.833 12.499 ( -8.910 -0.000 -8.478) 12.299 13.497 ( 5.934 0.000 8.948) 10.736 13.619 ( -9.153 -0.000 -24.204) 25.877 ======================= Grid point 234 (101/138) ======================= q-point: (-0.09 -0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -7.663 -10.262 5.859) 14.084 0.554 ( -13.642 -11.831 -0.896) 18.079 0.778 ( -13.289 -7.109 21.906) 26.590 1.078 ( 0.814 3.195 -1.333) 3.556 1.165 ( -1.140 0.445 0.716) 1.418 1.266 ( 2.595 -0.112 -9.876) 10.212 1.449 ( -1.164 -0.476 1.281) 1.794 1.526 ( -2.246 0.698 -4.141) 4.763 1.668 ( 2.983 -3.353 -2.742) 5.259 1.735 ( -0.099 -1.511 3.009) 3.369 1.902 ( 4.399 -3.330 -1.617) 5.750 2.167 ( -6.155 -1.350 3.160) 7.049 2.238 ( 8.848 4.579 -2.814) 10.352 2.360 ( 0.784 6.036 -2.333) 6.518 2.439 ( -12.030 -1.941 -1.320) 12.257 2.505 ( -0.595 0.836 -1.161) 1.550 2.608 ( -0.322 3.886 -1.597) 4.213 2.653 ( 8.561 0.112 -5.212) 10.024 2.735 ( 9.835 -1.649 3.461) 10.555 2.803 ( -4.784 0.625 -7.936) 9.287 2.939 ( 6.461 -1.339 2.367) 7.010 2.994 ( -2.236 -0.366 -1.135) 2.534 3.094 ( 1.610 1.915 -0.397) 2.533 3.253 ( -2.758 -1.180 10.900) 11.305 3.358 ( -8.704 0.169 -1.971) 8.926 3.481 ( 3.067 0.586 -6.326) 7.054 3.533 ( -7.423 2.084 3.070) 8.298 3.665 ( 0.983 2.531 3.939) 4.784 3.725 ( 5.778 0.995 -0.879) 5.928 3.830 ( -3.261 -0.294 -0.644) 3.336 4.050 ( 1.493 0.252 0.580) 1.621 4.226 ( -2.738 2.024 1.161) 3.597 4.391 ( 7.160 2.676 -0.254) 7.648 4.479 ( 3.440 5.352 -6.110) 8.821 4.613 ( -2.572 4.513 3.777) 6.422 4.689 ( -5.829 7.076 -0.049) 9.167 4.835 ( -3.023 -2.414 0.612) 3.916 4.948 ( 3.664 2.122 -3.824) 5.705 5.076 ( 4.042 -0.499 -3.589) 5.428 5.154 ( 7.875 1.216 10.144) 12.900 5.273 ( 0.284 -2.599 2.462) 3.591 5.475 ( 5.938 -0.950 -3.425) 6.920 5.641 ( 7.448 -0.195 1.857) 7.679 5.665 ( 0.758 0.327 -6.348) 6.401 5.818 ( -5.380 1.434 3.714) 6.693 5.899 ( -2.408 3.510 -2.015) 4.709 5.986 ( 0.869 -1.178 -0.625) 1.592 6.107 ( -3.389 1.929 -4.202) 5.733 6.311 ( -1.888 -2.098 -2.124) 3.532 6.369 ( -4.055 -2.929 0.199) 5.006 6.534 ( 3.874 10.174 12.806) 16.808 7.063 ( 0.018 -0.212 3.189) 3.196 7.120 ( 1.359 1.817 4.205) 4.777 7.434 ( 11.525 -4.781 -5.295) 13.554 7.595 ( 5.823 -0.521 2.682) 6.432 7.748 ( -1.170 -6.399 -2.297) 6.899 8.547 ( -9.324 5.090 6.933) 12.685 8.613 ( -14.846 10.664 -12.941) 22.396 8.873 ( 2.323 1.763 -10.402) 10.803 9.138 ( -0.711 -0.472 3.193) 3.305 9.669 ( -0.331 1.536 6.540) 6.726 9.953 ( 2.804 -1.527 -4.645) 5.636 10.214 ( -8.229 23.396 29.100) 38.235 10.559 ( 0.120 1.521 -0.818) 1.732 10.704 ( -2.740 -1.658 5.379) 6.260 11.175 ( 9.094 6.017 -10.879) 15.403 11.603 ( 4.723 5.589 0.223) 7.321 11.866 ( -1.562 2.832 1.582) 3.600 12.383 ( 6.557 -8.420 6.852) 12.682 12.647 ( 5.290 -10.120 4.522) 12.282 13.423 ( 6.541 2.920 0.889) 7.218 13.766 ( 4.394 -16.370 -18.975) 25.443 ======================= Grid point 245 (102/138) ======================= q-point: (-0.09 -0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.270 ( -9.923 -0.000 8.145) 12.838 0.381 ( -9.763 -0.000 15.087) 17.970 0.645 ( -16.179 -0.000 27.864) 32.221 1.113 ( -5.787 -0.000 -5.057) 7.685 1.156 ( 3.072 0.000 -6.436) 7.132 1.289 ( 8.453 0.000 -4.569) 9.609 1.466 ( 0.578 0.000 3.230) 3.282 1.471 ( -4.249 -0.000 -10.845) 11.648 1.662 ( 6.209 0.000 2.209) 6.590 1.741 ( 0.177 0.000 6.930) 6.932 1.893 ( 5.244 0.000 -2.014) 5.618 2.099 ( -9.311 -0.000 5.785) 10.962 2.327 ( -10.055 -0.000 -1.073) 10.112 2.365 ( 0.428 0.000 -0.250) 0.496 2.408 ( 10.766 0.000 -8.240) 13.557 2.491 ( -3.703 -0.000 -7.167) 8.067 2.675 ( 5.690 0.000 -10.943) 12.334 2.701 ( -7.310 -0.000 -17.391) 18.865 2.746 ( -5.200 -0.000 -2.615) 5.821 2.813 ( 6.208 0.000 -2.285) 6.615 2.970 ( 11.307 0.000 7.042) 13.321 2.972 ( -1.588 -0.000 -1.436) 2.141 3.129 ( 3.077 0.000 -0.646) 3.144 3.247 ( -3.649 -0.000 9.354) 10.040 3.264 ( -11.319 -0.000 -3.689) 11.906 3.492 ( 2.433 0.000 -4.679) 5.274 3.499 ( -8.025 -0.000 6.021) 10.033 3.705 ( 1.126 0.000 3.504) 3.680 3.779 ( 6.815 0.000 -2.553) 7.277 3.808 ( -3.308 -0.000 1.772) 3.753 4.058 ( -0.109 -0.000 1.079) 1.085 4.231 ( -3.439 -0.000 -0.320) 3.453 4.475 ( 8.447 0.000 -1.755) 8.627 4.561 ( 6.101 0.000 -4.792) 7.758 4.644 ( -1.913 -0.000 -2.765) 3.362 4.790 ( -2.331 -0.000 2.879) 3.704 4.825 ( -1.349 -0.000 3.443) 3.698 4.924 ( -8.034 -0.000 -15.605) 17.552 5.077 ( 0.895 0.000 -5.813) 5.882 5.197 ( -5.287 -0.000 1.552) 5.510 5.261 ( 2.627 0.000 3.236) 4.168 5.510 ( 8.030 0.000 -1.223) 8.123 5.704 ( 8.089 0.000 3.553) 8.835 5.720 ( 5.321 0.000 -3.098) 6.158 5.773 ( -4.171 -0.000 -2.560) 4.894 5.945 ( -0.947 -0.000 -2.569) 2.738 5.981 ( 1.604 0.000 6.045) 6.254 6.130 ( -3.204 -0.000 3.387) 4.662 6.171 ( -4.249 -0.000 -2.521) 4.941 6.334 ( -2.360 -0.000 -1.074) 2.592 6.863 ( 14.811 0.000 1.242) 14.863 7.086 ( 5.861 0.000 3.153) 6.655 7.256 ( 17.738 0.000 19.868) 26.634 7.272 ( -5.145 -0.000 -2.955) 5.934 7.636 ( 6.113 0.000 0.536) 6.136 7.670 ( -1.786 -0.000 -1.282) 2.198 8.506 ( -14.052 -0.000 9.185) 16.788 8.580 ( -25.235 -0.000 -31.650) 40.478 8.880 ( 6.362 0.000 -3.465) 7.245 9.139 ( -1.505 -0.000 4.933) 5.157 9.699 ( -1.013 -0.000 5.699) 5.788 9.950 ( 4.794 0.000 -7.458) 8.865 10.574 ( -2.048 -0.000 1.253) 2.401 10.590 ( 0.505 0.000 -0.848) 0.987 11.031 ( 23.715 0.000 24.230) 33.904 11.219 ( 3.620 0.000 2.754) 4.548 11.669 ( 11.071 0.000 -5.111) 12.194 11.953 ( -2.471 -0.000 -1.707) 3.004 12.330 ( -7.502 -0.000 -7.969) 10.944 12.557 ( 49.763 0.000 52.402) 72.266 13.130 ( -42.909 -0.000 -39.857) 58.564 13.600 ( 1.791 0.000 7.021) 7.245 ======================= Grid point 246 (103/138) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -3.920 -0.000 -7.834) 8.760 0.656 ( 3.920 0.000 7.834) 8.760 0.824 ( 0.778 0.000 -5.017) 5.077 0.824 ( -0.778 -0.000 5.017) 5.077 1.102 ( 6.463 0.000 -21.446) 22.399 1.102 ( -6.463 -0.000 21.446) 22.399 1.483 ( -12.584 -0.000 0.289) 12.587 1.483 ( 12.584 0.000 -0.289) 12.587 1.881 ( 9.387 0.000 -7.268) 11.872 1.881 ( -9.387 -0.000 7.268) 11.872 1.946 ( -10.050 -0.000 -12.415) 15.973 1.946 ( 10.050 0.000 12.415) 15.973 2.173 ( -4.994 -0.000 -1.540) 5.226 2.173 ( 4.994 0.000 1.540) 5.226 2.333 ( 5.237 0.000 -2.818) 5.947 2.333 ( -5.237 -0.000 2.818) 5.947 2.479 ( 2.946 0.000 -6.260) 6.918 2.479 ( -2.946 -0.000 6.260) 6.918 2.798 ( 2.183 0.000 -6.340) 6.705 2.798 ( -2.183 -0.000 6.340) 6.705 3.077 ( 0.484 0.000 -5.439) 5.460 3.077 ( -0.484 -0.000 5.439) 5.460 3.145 ( -0.297 -0.000 -0.374) 0.477 3.145 ( 0.297 0.000 0.374) 0.477 3.395 ( 2.149 0.000 -8.447) 8.716 3.395 ( -2.149 -0.000 8.447) 8.716 3.688 ( 6.124 0.000 -11.915) 13.396 3.688 ( -6.124 -0.000 11.915) 13.396 3.813 ( -0.450 -0.000 -2.307) 2.350 3.813 ( 0.450 0.000 2.307) 2.350 4.075 ( -4.778 -0.000 -1.394) 4.977 4.075 ( 4.778 0.000 1.394) 4.977 4.556 ( 1.175 0.000 -2.309) 2.591 4.556 ( -1.175 -0.000 2.309) 2.591 4.568 ( -8.757 -0.000 2.058) 8.995 4.568 ( 8.757 0.000 -2.058) 8.995 4.913 ( 1.414 0.000 -8.087) 8.210 4.913 ( -1.414 -0.000 8.087) 8.210 5.007 ( -2.921 -0.000 -8.465) 8.955 5.007 ( 2.921 0.000 8.465) 8.955 5.420 ( -2.584 -0.000 -5.559) 6.130 5.420 ( 2.584 0.000 5.559) 6.130 5.744 ( -6.871 -0.000 2.003) 7.157 5.744 ( 6.871 0.000 -2.003) 7.157 5.832 ( -2.246 -0.000 -4.369) 4.913 5.832 ( 2.246 0.000 4.369) 4.913 6.103 ( -4.848 -0.000 -1.347) 5.032 6.103 ( 4.848 0.000 1.347) 5.032 6.259 ( -3.451 -0.000 -2.467) 4.242 6.259 ( 3.451 0.000 2.467) 4.242 7.006 ( -7.843 -0.000 -2.184) 8.141 7.006 ( 7.843 0.000 2.184) 8.141 7.378 ( -11.377 -0.000 -3.002) 11.767 7.378 ( 11.377 0.000 3.002) 11.767 7.661 ( -0.306 -0.000 -0.984) 1.031 7.661 ( 0.306 0.000 0.984) 1.031 8.389 ( -21.249 -0.000 3.931) 21.609 8.389 ( 21.249 0.000 -3.931) 21.609 9.041 ( -11.093 -0.000 -2.550) 11.382 9.041 ( 11.093 0.000 2.550) 11.382 9.829 ( 4.406 0.000 -7.974) 9.111 9.829 ( -4.406 -0.000 7.974) 9.111 10.577 ( 1.278 0.000 -1.082) 1.674 10.577 ( -1.278 -0.000 1.082) 1.674 11.331 ( 3.664 0.000 -3.171) 4.846 11.331 ( -3.664 -0.000 3.171) 4.846 11.809 ( -14.006 -0.000 -1.438) 14.080 11.809 ( 14.006 0.000 1.438) 14.080 12.167 ( 20.523 0.000 -7.383) 21.811 12.167 ( -20.523 -0.000 7.383) 21.811 13.631 ( -20.755 -0.000 2.842) 20.949 13.631 ( 20.755 0.000 -2.842) 20.949 ======================= Grid point 248 (104/138) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -2.258 -1.397 -11.996) 12.286 0.698 ( 4.216 -1.064 5.523) 7.029 0.829 ( 0.256 -2.039 -6.153) 6.487 0.917 ( 3.092 -4.594 13.573) 14.659 1.171 ( 6.109 -5.897 -14.819) 17.079 1.207 ( 2.972 -7.203 12.734) 14.929 1.382 ( -10.276 0.544 -1.857) 10.457 1.525 ( 8.428 3.163 -0.576) 9.020 1.810 ( -10.826 1.534 -5.773) 12.365 1.880 ( -7.031 -2.393 -1.890) 7.664 1.906 ( -1.077 1.984 -3.255) 3.961 2.026 ( 6.715 -0.002 7.437) 10.020 2.141 ( 3.423 3.333 8.707) 9.932 2.172 ( 9.044 1.009 1.520) 9.226 2.365 ( -4.098 -4.519 2.287) 6.515 2.442 ( 4.499 -6.553 -7.645) 11.029 2.511 ( -0.310 -2.832 4.585) 5.398 2.546 ( 2.359 -5.366 0.355) 5.873 2.775 ( -1.265 1.498 -1.801) 2.662 2.791 ( -1.428 0.100 3.480) 3.763 3.049 ( -5.206 -0.230 -4.995) 7.219 3.074 ( -4.293 -0.127 3.673) 5.651 3.148 ( -0.001 0.144 -0.777) 0.790 3.172 ( 3.970 -0.600 2.592) 4.779 3.377 ( 0.677 2.101 -1.034) 2.438 3.397 ( 4.402 0.690 -3.190) 5.480 3.671 ( -5.824 -0.157 10.384) 11.907 3.687 ( 1.795 0.995 -11.576) 11.756 3.767 ( -0.411 2.843 -1.393) 3.192 3.779 ( 0.406 3.582 0.442) 3.632 4.056 ( -2.911 -0.394 1.462) 3.281 4.129 ( 5.797 -0.463 2.001) 6.150 4.456 ( -8.601 3.217 3.530) 9.838 4.479 ( -7.288 4.066 1.840) 8.546 4.559 ( 3.772 2.113 -0.812) 4.399 4.600 ( 10.415 3.823 -1.503) 11.196 4.903 ( -1.398 0.179 -6.467) 6.619 4.957 ( 0.602 -1.390 4.067) 4.340 4.993 ( 0.196 -2.455 -3.085) 3.947 5.056 ( 5.063 0.141 7.694) 9.211 5.390 ( -2.703 -0.119 -5.026) 5.708 5.437 ( -0.574 1.067 5.396) 5.531 5.623 ( -7.077 5.403 -0.444) 8.915 5.723 ( 5.081 5.338 1.413) 7.504 5.818 ( -4.613 -1.075 0.710) 4.790 5.868 ( 3.105 -1.456 -1.447) 3.722 6.032 ( -2.764 2.246 1.130) 3.736 6.067 ( 1.997 3.516 -2.811) 4.925 6.282 ( -2.661 -2.322 0.616) 3.585 6.334 ( 4.553 -2.432 -0.688) 5.207 6.893 ( -8.210 3.686 -5.885) 10.753 7.022 ( 5.956 3.813 4.631) 8.454 7.266 ( -8.138 2.328 -0.683) 8.492 7.377 ( 3.141 5.509 2.381) 6.774 7.709 ( -3.201 -5.397 1.420) 6.434 7.719 ( -1.736 -4.318 -0.917) 4.743 8.271 ( -7.171 1.299 2.530) 7.714 8.503 ( 22.886 4.089 -6.389) 24.110 8.938 ( -12.410 1.119 -1.558) 12.557 9.102 ( 8.129 1.334 1.975) 8.471 9.821 ( -4.106 -1.079 2.525) 4.940 9.857 ( 2.281 -1.703 -2.618) 3.868 10.536 ( -2.065 6.153 2.891) 7.105 10.551 ( 2.166 5.455 -3.791) 6.987 10.946 ( -5.626 21.172 7.267) 23.080 10.977 ( 3.250 20.823 -7.704) 22.439 11.682 ( -10.812 0.351 1.126) 10.876 11.812 ( 6.303 2.830 0.609) 6.936 12.354 ( -10.549 -14.115 3.016) 17.878 12.620 ( 24.074 -9.576 2.880) 26.068 13.550 ( -25.888 -9.618 5.812) 28.221 13.760 ( 8.990 -2.520 -10.847) 14.312 ======================= Grid point 249 (105/138) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 4.165 -10.141 0.069) 10.963 0.794 ( 5.744 -4.471 5.792) 9.302 0.889 ( -0.349 -5.836 -9.273) 10.962 1.058 ( 1.506 -4.747 7.346) 8.875 1.262 ( -2.315 -2.035 -5.110) 5.967 1.359 ( 2.171 -6.068 -7.385) 9.802 1.412 ( 5.962 -7.045 3.555) 9.890 1.513 ( 5.302 2.655 -0.887) 5.996 1.679 ( -10.259 2.511 -2.519) 10.858 1.823 ( -6.084 1.626 -0.952) 6.370 1.877 ( -4.768 -1.252 0.340) 4.941 2.072 ( 2.629 0.438 2.567) 3.701 2.139 ( 3.696 -0.111 5.467) 6.600 2.258 ( 10.205 1.118 6.324) 12.058 2.436 ( -0.888 -4.226 -0.046) 4.318 2.530 ( -4.036 -5.328 -8.821) 11.068 2.606 ( 4.630 -3.906 2.204) 6.446 2.661 ( -1.184 -4.356 1.635) 4.801 2.737 ( -0.235 -0.092 -2.488) 2.500 2.795 ( -5.626 -1.373 7.287) 9.308 3.000 ( -3.078 0.965 -2.527) 4.098 3.030 ( -4.290 1.825 1.187) 4.811 3.121 ( -1.862 1.228 -4.389) 4.924 3.214 ( 5.715 1.048 4.692) 7.468 3.330 ( -0.784 2.757 2.569) 3.849 3.425 ( 8.394 1.100 -3.008) 8.984 3.608 ( -3.891 3.740 -7.532) 9.266 3.651 ( -2.476 1.160 4.805) 5.529 3.721 ( 1.876 1.812 -6.328) 6.844 3.748 ( 0.867 -0.297 4.801) 4.887 4.040 ( -3.475 0.445 2.244) 4.161 4.164 ( 4.294 0.701 -0.205) 4.355 4.356 ( -6.523 2.272 2.198) 7.248 4.361 ( -5.945 3.564 1.593) 7.112 4.537 ( 4.006 3.642 -0.045) 5.414 4.601 ( 9.549 2.382 -4.273) 10.729 4.873 ( -3.732 -0.610 -0.731) 3.852 4.952 ( -2.154 0.775 -3.130) 3.878 5.050 ( 1.820 -0.705 3.349) 3.877 5.101 ( 6.234 1.539 7.638) 9.979 5.338 ( -5.104 1.765 1.649) 5.647 5.425 ( 0.236 -1.027 -0.265) 1.087 5.530 ( -5.245 0.418 -0.420) 5.278 5.682 ( 3.784 1.860 1.879) 4.616 5.794 ( -7.144 -0.877 -0.173) 7.200 5.920 ( 3.705 -1.786 -3.529) 5.419 6.007 ( 1.619 0.992 0.522) 1.969 6.023 ( -0.030 1.545 0.345) 1.583 6.279 ( -2.099 0.901 -0.916) 2.461 6.369 ( 2.205 1.005 0.459) 2.466 6.794 ( -3.911 0.098 -8.344) 9.216 6.988 ( 3.137 4.222 4.515) 6.932 7.169 ( -5.351 3.017 -1.622) 6.353 7.290 ( -3.021 3.876 5.904) 7.681 7.735 ( -6.886 -2.022 -1.379) 7.308 7.809 ( 0.490 -5.206 0.187) 5.232 8.240 ( 3.511 2.495 2.677) 5.071 8.544 ( 20.877 6.237 -6.706) 22.797 8.826 ( -11.723 1.517 0.480) 11.830 9.123 ( 4.667 1.526 0.421) 4.928 9.827 ( -1.585 -1.740 -1.916) 3.035 9.894 ( 0.261 -0.984 0.739) 1.258 10.285 ( 0.598 14.022 -10.331) 17.427 10.375 ( 0.361 11.978 7.908) 14.357 10.753 ( -0.355 1.631 1.027) 1.960 10.838 ( 3.724 1.605 2.045) 4.541 11.595 ( -6.996 2.137 -4.292) 8.481 11.825 ( 3.624 0.062 3.917) 5.337 12.424 ( -7.208 -0.012 4.894) 8.712 12.710 ( 10.021 8.509 -5.114) 14.106 13.590 ( -17.268 -6.149 5.887) 19.253 13.801 ( 0.739 -1.792 -5.084) 5.441 ======================= Grid point 250 (106/138) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 4.211 -6.936 0.247) 8.118 0.964 ( -0.414 -3.404 -5.271) 6.288 1.032 ( 7.690 -12.853 7.122) 16.585 1.092 ( -5.011 -2.132 -5.095) 7.458 1.285 ( 1.299 -1.614 -0.757) 2.206 1.465 ( 5.737 -0.131 -12.495) 13.750 1.507 ( -1.780 -2.062 3.533) 4.461 1.543 ( -1.949 -1.176 4.001) 4.604 1.621 ( 2.794 -3.745 0.642) 4.716 1.794 ( -1.523 -2.094 0.467) 2.631 1.860 ( -3.375 -0.808 -0.824) 3.567 2.107 ( -1.404 -2.623 3.352) 4.482 2.158 ( 1.451 1.867 1.899) 3.032 2.289 ( 6.209 3.044 6.725) 9.646 2.453 ( -5.173 -0.206 -0.938) 5.261 2.595 ( 2.277 -3.835 -5.343) 6.960 2.644 ( -6.061 -0.321 -2.707) 6.646 2.704 ( 3.521 -2.142 -2.232) 4.687 2.772 ( -9.768 -1.421 1.852) 10.043 2.799 ( 1.026 -2.536 3.730) 4.625 2.937 ( -3.709 3.451 2.196) 5.522 2.998 ( 2.514 0.103 1.116) 2.753 3.089 ( -1.780 -0.731 -3.316) 3.834 3.242 ( 5.359 0.840 1.231) 5.563 3.282 ( -2.303 1.845 3.856) 4.856 3.401 ( 3.120 6.487 -1.579) 7.370 3.516 ( -0.185 2.345 -2.914) 3.745 3.627 ( -1.405 0.739 2.475) 2.940 3.699 ( 1.375 -0.391 -7.942) 8.070 3.816 ( 2.374 -4.097 4.374) 6.446 3.996 ( -4.081 1.787 1.480) 4.694 4.182 ( 3.964 0.053 -0.524) 3.999 4.254 ( -3.534 4.654 0.088) 5.844 4.308 ( -4.241 -0.832 3.980) 5.875 4.468 ( 3.937 6.426 -2.185) 7.846 4.637 ( 8.376 -0.157 -5.088) 9.801 4.871 ( -2.611 -0.659 0.452) 2.731 4.895 ( -2.301 2.029 -3.483) 4.642 5.048 ( 1.391 2.890 7.259) 7.936 5.110 ( 0.246 0.724 1.934) 2.079 5.332 ( -3.602 -3.839 3.646) 6.403 5.450 ( 0.785 -0.697 -4.983) 5.093 5.498 ( -4.538 -0.911 1.493) 4.863 5.729 ( 3.409 -3.174 3.686) 5.940 5.758 ( -4.782 -0.299 -1.489) 5.017 5.955 ( 2.161 0.953 -4.863) 5.406 5.970 ( 0.953 2.086 3.078) 3.838 6.038 ( 1.406 -0.724 3.030) 3.418 6.218 ( -3.303 2.215 -3.345) 5.197 6.360 ( 0.487 0.742 0.918) 1.277 6.758 ( -1.419 1.466 -4.057) 4.541 6.943 ( 0.002 2.267 0.467) 2.315 7.083 ( -1.426 2.823 -1.115) 3.354 7.227 ( -3.607 2.260 7.887) 8.963 7.708 ( -5.952 -1.170 -3.592) 7.050 7.900 ( 1.118 -3.736 0.347) 3.915 8.220 ( 5.305 3.442 0.729) 6.366 8.559 ( 17.737 5.619 -4.107) 19.054 8.712 ( -10.713 2.452 1.401) 11.079 9.123 ( 2.302 0.614 -1.150) 2.646 9.844 ( 1.491 -0.643 -7.266) 7.445 9.895 ( -2.241 0.693 7.576) 7.931 10.085 ( 3.797 5.867 -14.279) 15.898 10.226 ( -0.217 7.047 13.006) 14.794 10.757 ( 2.404 0.412 -0.199) 2.447 10.861 ( 3.434 0.067 4.795) 5.898 11.487 ( -6.984 2.341 -9.292) 11.857 11.875 ( 2.315 -1.906 4.528) 5.432 12.302 ( -5.836 7.661 0.318) 9.635 12.571 ( 4.995 9.826 2.616) 11.329 13.507 ( -11.945 1.830 -8.993) 15.063 13.853 ( -0.926 -3.028 7.171) 7.839 ======================= Grid point 251 (107/138) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -2.391 1.584 -4.699) 5.505 1.039 ( -0.062 -5.470 -3.027) 6.253 1.104 ( -0.862 -4.117 -4.627) 6.253 1.284 ( 3.398 0.431 0.364) 3.444 1.306 ( 1.997 -2.323 2.935) 4.243 1.443 ( 0.748 0.333 -6.884) 6.932 1.515 ( -2.109 -3.438 8.797) 9.677 1.561 ( 1.639 -0.868 0.509) 1.923 1.787 ( 3.452 -6.525 3.068) 7.995 1.849 ( 2.780 -2.611 -1.610) 4.140 1.870 ( -0.134 -2.209 -2.077) 3.035 2.106 ( -2.658 -0.021 1.834) 3.230 2.152 ( -0.076 0.435 -2.215) 2.258 2.268 ( 1.704 3.236 8.808) 9.537 2.429 ( 0.066 0.509 0.792) 0.944 2.597 ( -3.858 0.518 -2.305) 4.524 2.640 ( -2.700 -1.218 -5.520) 6.265 2.680 ( -3.832 3.005 -3.229) 5.843 2.723 ( -5.287 0.571 0.123) 5.319 2.834 ( 0.442 -1.464 4.023) 4.304 2.929 ( 0.450 -2.251 0.916) 2.471 3.024 ( 3.316 1.153 4.532) 5.733 3.103 ( -0.145 -2.168 -1.544) 2.665 3.238 ( -1.377 2.816 -2.753) 4.172 3.246 ( -1.148 0.721 0.176) 1.367 3.320 ( 4.136 2.029 0.636) 4.651 3.452 ( -0.725 4.128 -1.382) 4.413 3.621 ( -4.104 -1.371 3.457) 5.538 3.717 ( 3.519 -1.106 -6.213) 7.226 3.921 ( 2.730 1.005 2.051) 3.559 3.942 ( -3.977 -3.677 1.472) 5.612 4.145 ( -2.498 4.326 -0.446) 5.015 4.209 ( 4.138 1.084 -0.956) 4.383 4.350 ( 1.781 -3.226 6.166) 7.183 4.371 ( 2.455 4.555 -1.317) 5.339 4.674 ( 3.117 0.611 -5.423) 6.285 4.784 ( -0.180 5.339 -5.199) 7.454 4.895 ( -2.335 -1.432 1.455) 3.102 5.018 ( 1.558 2.614 5.872) 6.614 5.128 ( -2.245 -4.078 -2.368) 5.222 5.401 ( -2.078 -3.783 2.377) 4.927 5.445 ( 0.545 -0.507 -4.446) 4.508 5.497 ( -2.873 -0.862 1.719) 3.457 5.739 ( -1.785 -1.030 -2.216) 3.026 5.827 ( 3.545 -0.889 3.983) 5.406 5.903 ( -2.066 1.624 5.283) 5.901 5.940 ( 0.458 3.560 0.028) 3.589 6.074 ( 2.066 -1.570 0.478) 2.639 6.173 ( -3.170 -0.969 -3.054) 4.507 6.354 ( -0.032 0.301 0.930) 0.978 6.691 ( -1.434 3.543 -0.921) 3.932 6.899 ( -3.418 1.170 -1.797) 4.035 7.032 ( 3.552 3.894 -2.198) 5.710 7.196 ( -2.716 -0.020 5.990) 6.577 7.691 ( -3.476 -1.525 -2.836) 4.738 7.961 ( 1.002 -2.057 -0.510) 2.344 8.198 ( 4.148 2.654 0.627) 4.965 8.567 ( 13.251 5.097 -2.010) 14.339 8.596 ( -10.033 1.643 1.346) 10.255 9.138 ( 2.188 -0.705 -1.246) 2.615 9.833 ( 2.306 0.416 -9.243) 9.536 9.889 ( -1.598 0.409 9.513) 9.655 10.046 ( 3.724 -0.373 -8.851) 9.609 10.141 ( -1.039 5.068 9.251) 10.600 10.753 ( 2.002 1.510 0.609) 2.580 10.905 ( 4.870 -0.187 6.303) 7.968 11.359 ( -7.695 3.498 -12.254) 14.886 11.922 ( 0.114 0.038 0.910) 0.918 12.140 ( -3.432 2.995 -2.241) 5.076 12.449 ( 4.224 8.820 10.239) 14.159 13.369 ( -8.564 1.821 -9.971) 13.270 13.915 ( 0.101 -2.105 6.154) 6.505 ======================= Grid point 252 (108/138) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -1.236 0.701 -1.921) 2.389 1.094 ( -1.970 -2.384 -1.036) 3.262 1.161 ( 0.915 -1.956 -4.231) 4.750 1.257 ( 2.744 2.718 0.664) 3.919 1.304 ( -1.132 0.926 3.398) 3.699 1.405 ( -0.971 0.721 -4.467) 4.628 1.554 ( -0.699 -0.064 0.970) 1.197 1.704 ( 4.672 -6.286 6.440) 10.140 1.796 ( -2.598 1.548 0.279) 3.037 1.906 ( 1.620 -0.949 -2.252) 2.932 1.977 ( 3.502 -4.382 -2.264) 6.049 2.081 ( -4.848 2.797 0.848) 5.661 2.143 ( 2.207 -2.545 -0.216) 3.376 2.276 ( 3.210 0.877 5.634) 6.544 2.393 ( -2.029 2.612 -1.055) 3.472 2.530 ( -1.699 2.473 -0.002) 3.000 2.617 ( 0.818 -0.201 0.403) 0.934 2.644 ( -8.454 -3.373 -6.386) 11.119 2.688 ( 2.270 2.477 2.024) 3.922 2.863 ( -1.352 -1.153 -0.767) 1.935 2.964 ( 2.548 0.190 1.167) 2.809 3.026 ( -0.833 -0.162 3.749) 3.844 3.141 ( 0.483 -1.272 -2.216) 2.600 3.175 ( 0.030 2.031 0.484) 2.088 3.246 ( 2.211 -0.522 -0.215) 2.282 3.328 ( -1.209 0.458 -1.265) 1.809 3.374 ( -0.349 1.969 -0.561) 2.077 3.626 ( -2.233 -0.813 1.814) 2.989 3.753 ( 2.100 -1.341 -2.087) 3.251 3.864 ( -0.760 2.489 0.058) 2.603 4.037 ( -4.305 -5.496 3.988) 8.040 4.073 ( 2.677 2.597 -3.207) 4.919 4.163 ( 1.925 4.674 -1.206) 5.197 4.369 ( 1.778 -1.650 0.323) 2.447 4.459 ( 3.302 -2.961 4.899) 6.609 4.616 ( 0.172 3.330 0.154) 3.338 4.691 ( -2.895 2.544 -6.637) 7.675 4.902 ( -0.277 -0.147 1.020) 1.067 5.016 ( 1.255 0.082 1.515) 1.969 5.197 ( -0.616 -3.710 -2.556) 4.547 5.423 ( -1.413 0.167 1.032) 1.758 5.466 ( 4.909 -0.577 -2.844) 5.703 5.499 ( -4.917 -1.350 2.583) 5.715 5.755 ( -0.012 -0.012 -2.003) 2.003 5.782 ( -0.820 1.417 1.644) 2.320 5.853 ( 0.526 3.896 1.869) 4.353 5.960 ( -0.496 -2.308 2.930) 3.763 6.122 ( 1.592 -1.580 0.299) 2.263 6.171 ( -1.685 -0.632 -1.543) 2.371 6.354 ( -0.099 -0.025 0.716) 0.723 6.626 ( -0.591 1.867 -0.502) 2.022 6.850 ( -2.302 0.960 -1.258) 2.793 6.982 ( 1.991 2.473 -1.027) 3.336 7.208 ( -0.531 -0.777 1.854) 2.079 7.694 ( -1.152 -0.829 -0.915) 1.688 7.989 ( 0.486 -0.624 -0.547) 0.961 8.186 ( 1.456 0.974 0.635) 1.863 8.512 ( -1.906 1.609 -0.302) 2.512 8.572 ( 2.609 1.091 0.138) 2.831 9.163 ( 1.113 -0.486 -0.399) 1.278 9.836 ( 1.600 -0.539 -4.299) 4.619 9.902 ( -0.247 -0.527 3.885) 3.928 10.064 ( -1.198 0.535 2.642) 2.950 10.069 ( 1.347 1.821 -1.702) 2.833 10.744 ( 0.696 0.569 0.574) 1.067 10.970 ( 4.799 -1.172 6.290) 7.998 11.204 ( -5.976 3.677 -9.445) 11.766 11.881 ( -1.062 1.673 -0.562) 2.060 12.155 ( -0.580 -3.789 -2.323) 4.482 12.350 ( 2.087 5.943 7.008) 9.422 13.290 ( -3.115 0.413 -4.046) 5.122 13.953 ( 0.211 -0.769 2.184) 2.325 ======================= Grid point 259 (109/138) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -2.446 -0.000 -15.383) 15.576 0.670 ( 3.036 0.000 -11.111) 11.518 0.906 ( 4.162 0.000 12.583) 13.253 0.923 ( 6.496 0.000 12.208) 13.828 1.149 ( 12.953 0.000 -21.599) 25.185 1.189 ( 5.509 0.000 18.890) 19.677 1.297 ( -11.763 -0.000 -1.460) 11.853 1.605 ( 4.079 0.000 -7.918) 8.907 1.733 ( -10.044 -0.000 -7.080) 12.288 1.808 ( -4.681 -0.000 5.160) 6.967 1.896 ( -4.678 -0.000 -7.221) 8.604 2.107 ( 4.216 0.000 12.506) 13.198 2.221 ( 7.734 0.000 10.118) 12.736 2.289 ( 7.345 0.000 9.037) 11.646 2.299 ( -1.267 -0.000 1.987) 2.357 2.345 ( -2.764 -0.000 -5.768) 6.396 2.521 ( 6.964 0.000 -3.018) 7.590 2.527 ( 5.194 0.000 5.257) 7.390 2.759 ( -8.638 -0.000 6.015) 10.526 2.792 ( 0.676 0.000 -3.622) 3.685 3.000 ( -3.940 -0.000 -3.689) 5.397 3.034 ( -5.053 -0.000 1.252) 5.206 3.144 ( -1.307 -0.000 -2.063) 2.442 3.206 ( 6.660 0.000 2.165) 7.003 3.410 ( 5.798 0.000 -9.839) 11.421 3.414 ( -0.172 -0.000 3.998) 4.002 3.649 ( -6.060 -0.000 9.985) 11.680 3.666 ( -3.663 -0.000 -9.243) 9.942 3.788 ( 1.707 0.000 -4.140) 4.478 3.819 ( 0.834 0.000 1.395) 1.625 4.051 ( -0.887 -0.000 1.061) 1.383 4.171 ( 4.403 0.000 5.160) 6.783 4.440 ( -6.382 -0.000 3.177) 7.129 4.472 ( -8.219 -0.000 3.089) 8.780 4.590 ( 1.059 0.000 0.295) 1.099 4.728 ( 7.265 0.000 4.029) 8.307 4.919 ( 3.615 0.000 -7.542) 8.364 4.935 ( -1.053 -0.000 -6.247) 6.335 4.956 ( 0.629 0.000 6.026) 6.059 5.123 ( 8.645 0.000 8.917) 12.420 5.343 ( -3.899 -0.000 -5.214) 6.511 5.438 ( -4.369 -0.000 4.782) 6.477 5.655 ( -6.586 -0.000 3.254) 7.346 5.723 ( -11.560 -0.000 -1.686) 11.683 5.828 ( 4.949 0.000 -4.937) 6.991 5.879 ( 1.503 0.000 4.310) 4.565 6.046 ( -0.109 -0.000 -0.713) 0.721 6.153 ( 1.468 0.000 1.459) 2.069 6.215 ( 0.416 0.000 -5.165) 5.181 6.321 ( 3.919 0.000 0.041) 3.920 6.868 ( -11.115 -0.000 -0.926) 11.153 7.092 ( 0.211 0.000 2.177) 2.187 7.240 ( -3.862 -0.000 1.426) 4.117 7.439 ( -9.062 -0.000 -2.981) 9.540 7.628 ( -0.184 -0.000 2.689) 2.695 7.645 ( -1.950 -0.000 -0.652) 2.056 8.294 ( 8.233 0.000 5.229) 9.753 8.695 ( 22.703 0.000 -9.816) 24.734 8.855 ( -12.075 -0.000 -1.740) 12.200 9.163 ( 3.812 0.000 1.923) 4.270 9.784 ( -7.184 -0.000 9.028) 11.538 9.839 ( 2.457 0.000 -8.080) 8.446 10.571 ( -0.250 -0.000 0.990) 1.022 10.596 ( 1.969 0.000 -0.932) 2.178 11.223 ( -10.781 -0.000 -3.310) 11.277 11.269 ( -13.085 -0.000 -0.431) 13.092 11.536 ( -14.404 -0.000 8.421) 16.685 11.886 ( 2.377 0.000 4.431) 5.028 12.182 ( 8.186 0.000 6.970) 10.751 12.679 ( 38.429 0.000 10.778) 39.911 13.177 ( -35.958 -0.000 -16.452) 39.543 13.757 ( 2.792 0.000 -9.624) 10.021 ======================= Grid point 260 (110/138) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 4.186 -6.959 -6.711) 10.535 0.717 ( 4.051 -4.481 -10.679) 12.269 0.931 ( 8.747 4.009 9.975) 13.859 1.018 ( 3.173 -3.419 11.130) 12.068 1.201 ( 0.389 -1.022 -9.047) 9.113 1.256 ( 2.566 -4.372 -10.842) 11.968 1.362 ( 9.185 -6.004 10.824) 15.414 1.565 ( -5.579 -0.251 -11.084) 12.411 1.648 ( -1.229 3.529 1.126) 3.903 1.801 ( -5.978 -0.151 -3.366) 6.862 1.824 ( -4.680 0.560 4.497) 6.515 2.131 ( 2.799 2.135 2.222) 4.163 2.207 ( -1.030 3.126 8.078) 8.723 2.336 ( -5.360 -2.954 0.563) 6.146 2.368 ( 9.848 -1.038 7.357) 12.337 2.411 ( 4.377 -4.837 0.611) 6.552 2.571 ( 0.341 -1.270 0.310) 1.351 2.597 ( 5.287 -2.648 -1.213) 6.037 2.711 ( -10.122 -1.409 5.142) 11.440 2.776 ( 1.462 1.513 -1.182) 2.413 2.978 ( -1.191 -0.153 -1.522) 1.939 3.020 ( -2.822 -0.664 -0.771) 3.000 3.114 ( -2.705 0.738 -4.611) 5.396 3.273 ( 6.641 -0.463 4.805) 8.210 3.381 ( -0.896 2.778 1.622) 3.339 3.458 ( 6.517 -1.549 -4.975) 8.344 3.606 ( -4.773 1.356 -6.454) 8.140 3.635 ( -4.626 -0.705 7.112) 8.513 3.771 ( 1.828 2.473 -4.689) 5.607 3.807 ( 2.931 2.657 1.815) 4.352 4.029 ( -3.718 0.665 2.094) 4.318 4.201 ( 2.030 0.561 3.611) 4.180 4.375 ( -7.694 3.914 3.479) 9.307 4.386 ( -3.520 2.338 0.537) 4.260 4.598 ( 2.050 0.780 1.760) 2.813 4.718 ( 5.450 4.302 0.495) 6.961 4.871 ( 0.521 2.194 -4.482) 5.017 4.935 ( -1.663 0.004 -2.885) 3.330 5.017 ( 0.302 -3.447 2.742) 4.415 5.200 ( 7.184 1.547 7.567) 10.549 5.334 ( -1.980 -1.253 -3.816) 4.478 5.396 ( -7.709 0.182 4.107) 8.737 5.528 ( -6.461 4.467 2.034) 8.114 5.663 ( -10.679 -1.762 -0.386) 10.831 5.827 ( 2.988 3.807 2.437) 5.418 5.900 ( 2.105 -1.597 -2.310) 3.510 6.044 ( 2.974 1.170 1.453) 3.511 6.068 ( 2.035 4.071 -4.580) 6.457 6.268 ( -0.095 -1.399 1.697) 2.201 6.389 ( 3.162 -1.741 -1.003) 3.746 6.737 ( -8.822 1.653 -7.641) 11.787 7.073 ( -1.518 1.547 1.441) 2.603 7.188 ( -3.407 3.669 1.795) 5.319 7.327 ( -8.152 2.404 1.795) 8.687 7.644 ( -3.960 -2.234 -1.418) 4.763 7.714 ( 1.730 -5.391 0.612) 5.695 8.364 ( 12.750 3.570 6.643) 14.813 8.761 ( -6.060 1.000 3.412) 7.026 8.786 ( 16.097 3.885 -13.215) 21.186 9.167 ( -0.003 1.196 0.631) 1.352 9.773 ( -4.816 -2.012 4.750) 7.057 9.859 ( 0.373 -2.089 -4.257) 4.757 10.516 ( -2.053 8.413 0.387) 8.669 10.563 ( 1.807 5.966 -3.579) 7.188 10.888 ( -6.007 14.602 4.365) 16.382 10.961 ( -1.673 12.156 -4.739) 13.154 11.553 ( -7.786 -2.620 4.076) 9.171 11.872 ( 3.000 3.338 0.746) 4.550 12.340 ( 3.002 -6.342 6.080) 9.284 12.889 ( -0.788 5.230 -11.838) 12.966 13.209 ( -9.997 -21.605 13.162) 27.202 13.749 ( -1.904 -1.476 -10.334) 10.611 ======================= Grid point 261 (111/138) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 5.098 -12.812 0.739) 13.809 0.822 ( 5.095 -5.662 -4.138) 8.668 0.977 ( 10.195 -1.004 5.508) 11.631 1.063 ( -2.332 1.224 -1.611) 3.087 1.234 ( 1.615 -4.267 -1.534) 4.814 1.383 ( 7.048 -6.386 -11.744) 15.112 1.503 ( -5.597 -3.031 3.682) 7.353 1.534 ( 4.758 0.710 -0.880) 4.890 1.613 ( 3.877 -0.134 -0.029) 3.880 1.742 ( -3.958 -0.116 2.767) 4.831 1.831 ( -1.427 -0.828 0.919) 1.888 2.081 ( -2.208 0.847 1.438) 2.768 2.211 ( 2.862 1.133 3.220) 4.455 2.328 ( -11.011 -2.344 -0.553) 11.271 2.429 ( 7.035 1.626 6.325) 9.599 2.547 ( 1.398 -4.312 -0.465) 4.557 2.573 ( -1.466 -1.715 -1.930) 2.969 2.656 ( -5.211 -3.244 -1.135) 6.243 2.707 ( -0.676 -1.407 0.770) 1.740 2.775 ( 2.615 -0.536 0.786) 2.782 2.976 ( -1.100 -0.902 -1.954) 2.417 2.989 ( -1.594 2.969 1.358) 3.633 3.078 ( -0.078 -0.032 -2.722) 2.723 3.309 ( 3.519 1.837 3.975) 5.618 3.314 ( -3.509 3.079 2.580) 5.334 3.504 ( -4.804 2.310 -7.499) 9.200 3.528 ( 5.834 1.349 2.931) 6.667 3.649 ( 0.849 -1.011 -1.102) 1.720 3.702 ( -1.019 3.259 -4.870) 5.947 3.803 ( 3.076 0.136 3.997) 5.045 3.993 ( -4.371 0.684 2.061) 4.881 4.202 ( 0.236 0.731 1.952) 2.097 4.285 ( -4.228 1.214 3.369) 5.540 4.316 ( -0.929 2.995 -1.088) 3.319 4.583 ( 2.603 3.236 -0.343) 4.167 4.692 ( 5.123 2.036 -3.717) 6.649 4.844 ( -0.780 0.085 1.364) 1.573 4.903 ( -2.898 0.909 -2.437) 3.894 5.079 ( 0.275 -1.851 1.886) 2.657 5.149 ( -5.905 3.597 -0.933) 6.977 5.311 ( 0.279 1.447 9.602) 9.715 5.421 ( -0.570 -2.836 1.742) 3.377 5.452 ( -4.253 0.639 -1.298) 4.492 5.644 ( -7.436 -3.454 0.203) 8.201 5.781 ( 3.843 2.642 0.369) 4.678 5.949 ( 0.285 -2.640 -0.524) 2.706 6.021 ( 2.816 2.839 -3.527) 5.332 6.058 ( 3.603 0.479 2.607) 4.473 6.256 ( -0.679 2.872 -0.604) 3.012 6.377 ( -1.514 1.591 -0.411) 2.234 6.714 ( -1.241 -3.217 -9.074) 9.707 7.008 ( -2.646 4.694 3.386) 6.364 7.106 ( -3.434 1.621 1.314) 4.018 7.252 ( -5.108 1.900 5.666) 7.862 7.641 ( -3.134 -1.205 -3.800) 5.071 7.830 ( 1.670 -4.956 0.995) 5.324 8.361 ( 9.484 5.819 1.347) 11.208 8.691 ( -7.745 1.685 4.261) 8.998 8.796 ( 18.121 6.244 -8.738) 21.065 9.135 ( -1.896 0.909 -0.929) 2.299 9.805 ( -0.644 -2.656 -1.920) 3.340 9.883 ( -2.162 -1.362 1.642) 3.038 10.255 ( 1.825 12.893 -10.332) 16.623 10.411 ( -0.191 9.664 6.671) 11.744 10.772 ( 1.292 0.010 2.417) 2.740 10.886 ( 1.295 0.154 1.701) 2.144 11.496 ( -4.350 3.916 -1.972) 6.176 11.858 ( 0.191 -0.638 1.295) 1.456 12.380 ( -3.515 3.562 2.979) 5.824 12.743 ( -2.393 5.384 -4.863) 7.639 13.393 ( -10.210 -3.819 1.340) 10.983 13.777 ( -1.392 -4.690 0.206) 4.896 ======================= Grid point 262 (112/138) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.966 -5.318 -5.929) 8.023 0.975 ( 0.003 1.662 1.281) 2.098 1.029 ( 3.106 -3.536 -2.836) 5.495 1.203 ( 10.182 -10.655 4.916) 15.536 1.300 ( 2.584 -1.363 -4.206) 5.121 1.478 ( -0.728 -1.186 -0.338) 1.432 1.501 ( 1.791 2.171 -0.199) 2.821 1.542 ( 1.719 -2.962 3.596) 4.966 1.715 ( 7.083 -5.383 -4.139) 9.812 1.774 ( -1.375 -3.006 4.017) 5.202 1.843 ( 1.684 -1.612 -1.193) 2.619 2.091 ( -1.084 -0.919 3.122) 3.430 2.180 ( -0.203 2.849 -2.556) 3.832 2.281 ( -8.912 -1.497 2.369) 9.343 2.458 ( 5.174 1.392 3.735) 6.531 2.539 ( -6.213 -1.692 -3.911) 7.534 2.601 ( -5.929 -0.524 -0.375) 5.964 2.677 ( -1.362 0.421 -2.934) 3.262 2.719 ( 3.319 -0.603 -1.216) 3.586 2.827 ( 0.457 -1.767 2.768) 3.316 2.911 ( -1.625 2.836 2.978) 4.422 3.002 ( -1.306 -3.716 -1.415) 4.185 3.099 ( 2.743 -0.115 1.986) 3.388 3.241 ( -5.014 1.757 1.511) 5.523 3.285 ( 1.501 2.551 0.123) 2.962 3.399 ( -0.888 3.721 -2.336) 4.483 3.530 ( -0.023 3.173 3.443) 4.682 3.584 ( -3.541 2.659 -1.994) 4.856 3.713 ( 4.272 -1.589 -7.104) 8.440 3.857 ( -0.691 -3.140 4.005) 5.136 3.957 ( -0.979 0.966 0.628) 1.512 4.165 ( -4.818 1.939 -0.785) 5.252 4.265 ( 3.889 1.746 -2.325) 4.856 4.317 ( 1.945 -2.931 7.041) 7.871 4.511 ( 3.936 6.308 -2.356) 7.800 4.693 ( 2.742 0.503 -5.355) 6.038 4.838 ( -4.339 1.575 -1.483) 4.848 4.865 ( 0.468 -0.353 1.603) 1.707 5.050 ( -6.061 -0.077 -2.790) 6.672 5.094 ( -0.165 2.156 5.144) 5.580 5.326 ( -2.263 -1.772 8.126) 8.619 5.432 ( 1.470 -0.701 -5.929) 6.149 5.461 ( -1.671 -1.691 1.946) 3.072 5.670 ( -4.873 -3.474 -0.518) 6.007 5.811 ( 3.886 -2.530 2.609) 5.321 5.961 ( -1.756 3.114 2.763) 4.518 5.995 ( 3.267 0.225 -2.245) 3.970 6.080 ( 2.754 0.547 2.892) 4.030 6.169 ( -1.051 3.796 -3.868) 5.520 6.350 ( -2.426 -0.126 -0.115) 2.432 6.721 ( -0.702 0.696 -5.617) 5.703 6.904 ( -5.190 3.627 3.121) 7.059 7.092 ( 1.099 -0.303 0.393) 1.206 7.200 ( -3.570 1.784 4.592) 6.084 7.639 ( -0.671 -1.190 -3.363) 3.630 7.916 ( 0.666 -3.211 0.601) 3.334 8.312 ( 6.347 5.150 -1.522) 8.315 8.602 ( -5.208 3.829 3.500) 7.351 8.774 ( 13.553 6.732 -4.092) 15.676 9.122 ( -0.617 -0.992 -1.705) 2.067 9.826 ( 1.221 -0.554 -8.401) 8.508 9.898 ( -2.849 -0.799 10.015) 10.443 10.087 ( 3.935 5.061 -9.679) 11.609 10.272 ( -0.522 7.303 8.458) 11.187 10.802 ( 3.371 0.726 -0.394) 3.471 10.917 ( 0.263 -2.136 5.928) 6.307 11.369 ( -3.115 5.070 -7.878) 9.872 11.887 ( -1.879 -2.118 0.820) 2.948 12.214 ( -5.892 8.120 -2.836) 10.426 12.635 ( -0.482 6.348 6.158) 8.857 13.325 ( -6.419 1.307 -5.558) 8.590 13.863 ( -1.029 -4.175 3.800) 5.739 ======================= Grid point 263 (113/138) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 2.153 2.171 -2.508) 3.954 1.013 ( -0.233 -4.624 -0.685) 4.681 1.115 ( 2.886 -2.474 -2.645) 4.631 1.313 ( 1.193 0.534 0.898) 1.586 1.343 ( 3.023 1.314 -1.980) 3.845 1.465 ( 5.514 2.918 -0.272) 6.244 1.527 ( -1.019 -2.536 1.916) 3.337 1.658 ( 7.668 -5.142 6.790) 11.461 1.795 ( -0.158 -0.461 0.275) 0.559 1.879 ( 1.502 -5.212 1.035) 5.522 1.892 ( 2.700 -3.354 -4.319) 6.099 2.094 ( -2.973 1.407 3.315) 4.669 2.119 ( -0.211 -0.461 -4.045) 4.077 2.307 ( 0.681 -2.078 3.791) 4.377 2.432 ( -0.127 3.362 -6.130) 6.993 2.506 ( -8.437 -1.758 -6.153) 10.590 2.583 ( -0.092 2.213 4.091) 4.652 2.597 ( -4.369 0.222 -0.973) 4.482 2.753 ( 4.691 1.015 2.222) 5.289 2.820 ( -2.772 0.121 1.734) 3.272 2.931 ( -0.339 -3.477 1.035) 3.643 3.057 ( -1.655 -0.806 0.500) 1.907 3.110 ( 0.949 -0.289 1.930) 2.170 3.194 ( -3.006 0.409 0.855) 3.151 3.267 ( 2.535 0.697 0.254) 2.641 3.339 ( -0.716 2.208 -1.593) 2.815 3.434 ( -1.009 5.091 0.704) 5.237 3.556 ( -5.974 -2.065 2.423) 6.769 3.744 ( 1.994 -0.873 -5.141) 5.583 3.893 ( -0.657 -0.294 0.090) 0.725 3.958 ( -0.369 -1.055 1.890) 2.196 4.095 ( -2.696 0.956 -2.353) 3.703 4.265 ( 4.512 2.060 -2.304) 5.469 4.386 ( 0.797 1.839 1.615) 2.574 4.471 ( 9.321 -0.892 3.080) 9.857 4.655 ( -2.276 2.735 -5.034) 6.165 4.743 ( -2.619 4.552 -1.433) 5.444 4.887 ( -1.277 -0.795 2.332) 2.775 5.028 ( -2.261 -0.143 -1.969) 3.002 5.096 ( 0.534 -3.427 0.673) 3.533 5.370 ( -3.784 -3.314 3.500) 6.128 5.461 ( 0.024 -0.998 -3.014) 3.175 5.478 ( 2.295 -1.184 1.335) 2.907 5.699 ( -2.713 -3.097 -1.173) 4.281 5.868 ( -1.366 5.806 3.291) 6.813 5.912 ( 1.500 -3.338 2.534) 4.451 5.960 ( 1.811 4.623 2.607) 5.608 6.099 ( 1.179 -1.284 1.105) 2.064 6.137 ( 0.207 -0.951 -3.203) 3.348 6.342 ( -2.119 -0.731 0.288) 2.260 6.664 ( -1.229 2.747 -2.749) 4.076 6.820 ( -6.110 1.462 0.513) 6.303 7.091 ( 5.665 3.796 -4.375) 8.102 7.177 ( -3.419 -1.572 5.955) 7.045 7.662 ( 1.014 -1.643 -1.430) 2.402 7.961 ( -0.627 -1.733 -0.614) 1.942 8.264 ( 4.520 3.875 -1.279) 6.089 8.502 ( -4.039 3.587 2.613) 6.000 8.730 ( 10.323 6.334 -1.821) 12.248 9.143 ( -0.562 -1.499 -0.832) 1.804 9.826 ( 2.058 -0.514 -6.651) 6.981 9.907 ( -1.085 0.292 7.247) 7.334 10.055 ( 1.185 -0.098 -3.191) 3.406 10.156 ( -1.211 6.165 4.090) 7.497 10.784 ( 1.611 2.432 0.918) 3.058 10.979 ( -0.277 -1.938 5.694) 6.021 11.240 ( -0.065 4.887 -8.519) 9.822 11.876 ( -5.257 0.574 -3.290) 6.228 12.089 ( -2.016 0.112 -1.882) 2.760 12.504 ( -3.373 7.748 5.139) 9.890 13.284 ( 1.219 0.195 0.937) 1.550 13.922 ( -1.052 -2.460 0.016) 2.675 ======================= Grid point 264 (114/138) ======================= q-point: ( 0.55 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 4.625 0.455 0.007) 4.647 1.090 ( 0.262 -3.281 2.333) 4.035 1.153 ( 1.053 -1.057 0.033) 1.493 1.278 ( 0.768 3.613 -0.319) 3.708 1.320 ( 2.515 1.763 -1.419) 3.384 1.471 ( 8.167 2.035 3.984) 9.312 1.545 ( -0.132 -0.530 -1.437) 1.537 1.771 ( 0.205 1.925 -2.365) 3.056 1.794 ( 3.990 -0.157 2.719) 4.830 1.894 ( -3.322 -0.697 2.140) 4.012 1.993 ( -1.300 -1.313 0.961) 2.083 2.061 ( 3.540 -1.996 -0.394) 4.083 2.153 ( -0.803 -1.020 -4.181) 4.378 2.256 ( -5.251 4.128 -3.856) 7.713 2.375 ( 0.148 0.029 -5.302) 5.304 2.521 ( 1.409 0.269 -0.197) 1.448 2.550 ( -0.421 -5.295 -0.515) 5.337 2.630 ( -2.302 -2.500 2.361) 4.138 2.774 ( 7.646 2.121 4.668) 9.206 2.820 ( -2.864 -2.160 0.299) 3.600 2.993 ( -3.215 3.723 -1.633) 5.184 3.001 ( -1.241 -3.115 2.278) 4.054 3.133 ( 0.118 -0.579 -2.746) 2.809 3.175 ( -1.427 0.546 5.324) 5.539 3.264 ( 0.744 1.794 -1.027) 2.197 3.316 ( -1.721 -0.895 0.228) 1.953 3.370 ( 0.852 1.391 2.905) 3.332 3.573 ( -5.190 -3.618 0.608) 6.356 3.761 ( 0.019 -1.128 -1.691) 2.033 3.857 ( -0.092 2.045 -4.436) 4.886 3.996 ( -2.281 -2.905 4.542) 5.854 4.098 ( 1.195 -1.835 -1.732) 2.792 4.197 ( 4.065 7.215 -2.964) 8.795 4.382 ( -0.171 0.241 0.295) 0.418 4.518 ( 4.150 4.100 -4.199) 7.188 4.570 ( -3.123 0.868 -2.239) 3.940 4.701 ( 1.992 -0.980 6.683) 7.042 4.884 ( -2.956 -0.782 0.342) 3.077 5.011 ( -1.081 0.672 -0.998) 1.617 5.193 ( 1.219 -4.433 -0.885) 4.683 5.403 ( -1.391 -2.189 -0.514) 2.644 5.439 ( -4.700 0.594 1.923) 5.113 5.543 ( 5.815 -1.253 -0.444) 5.965 5.741 ( -1.143 -2.806 -1.756) 3.502 5.770 ( -1.263 2.693 2.318) 3.771 5.858 ( -0.986 4.015 1.404) 4.367 5.994 ( 3.462 0.083 1.121) 3.640 6.124 ( -0.984 -0.093 0.094) 0.992 6.169 ( 1.965 -2.130 -1.270) 3.164 6.343 ( -1.838 -0.632 0.770) 2.090 6.619 ( 0.423 0.632 -1.941) 2.084 6.779 ( -6.105 -2.248 1.163) 6.609 7.041 ( 6.025 4.291 -3.055) 8.003 7.201 ( -1.944 -1.077 3.285) 3.966 7.702 ( 2.400 -1.285 0.057) 2.723 7.972 ( -2.279 -0.858 -1.082) 2.664 8.225 ( 3.939 3.474 -1.299) 5.410 8.441 ( -4.958 0.025 2.258) 5.448 8.687 ( 9.783 5.411 -1.135) 11.237 9.148 ( -3.059 -0.369 0.356) 3.101 9.839 ( 0.387 -0.180 -0.432) 0.607 9.907 ( -0.009 0.491 -0.231) 0.543 10.051 ( -1.711 1.139 0.923) 2.253 10.072 ( -0.534 1.126 0.123) 1.252 10.753 ( 0.225 1.734 0.815) 1.929 10.951 ( -6.205 2.512 -4.461) 8.045 11.227 ( 8.321 -1.516 6.539) 10.691 11.836 ( -3.564 -1.800 -4.552) 6.055 12.127 ( -1.609 -4.397 -1.885) 5.047 12.339 ( -5.037 6.607 -0.955) 8.363 13.330 ( 6.641 -0.564 8.705) 10.963 13.938 ( -1.662 -0.831 -4.652) 5.009 ======================= Grid point 265 (115/138) ======================= q-point: (-0.36 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 5.631 -0.510 2.503) 6.184 1.129 ( -1.649 0.610 4.814) 5.125 1.171 ( 2.115 1.109 1.988) 3.108 1.234 ( 0.254 1.203 4.726) 4.883 1.308 ( 1.434 0.016 -5.473) 5.658 1.520 ( 9.156 1.563 8.150) 12.357 1.545 ( -1.186 -0.417 -3.231) 3.467 1.631 ( 0.413 9.287 -7.710) 12.078 1.827 ( 1.053 -0.751 -1.766) 2.189 1.873 ( -4.900 2.414 4.436) 7.036 1.916 ( -4.592 4.201 0.604) 6.252 2.123 ( -0.624 0.297 -3.871) 3.932 2.161 ( 4.217 -0.732 -0.222) 4.286 2.175 ( -2.963 -1.438 -5.963) 6.813 2.394 ( -0.011 -2.415 -2.851) 3.736 2.580 ( 4.125 -3.963 0.312) 5.729 2.644 ( 1.570 -2.374 1.620) 3.275 2.670 ( 1.414 -2.661 2.033) 3.635 2.805 ( 9.269 2.083 5.723) 11.091 2.846 ( -2.234 -0.017 -1.375) 2.623 2.891 ( -6.806 -0.291 -2.049) 7.114 3.018 ( 0.033 1.441 -2.989) 3.318 3.121 ( -2.993 0.067 0.873) 3.119 3.198 ( 1.806 -1.678 6.728) 7.166 3.253 ( 2.170 0.050 -1.780) 2.807 3.280 ( -6.142 0.892 -0.872) 6.268 3.410 ( 2.016 -2.030 3.612) 4.607 3.603 ( -3.405 -2.485 -2.274) 4.789 3.762 ( 2.088 1.838 1.472) 3.147 3.848 ( -2.508 -3.095 -3.573) 5.351 4.041 ( -1.731 -0.733 4.381) 4.767 4.081 ( 0.481 3.331 -5.060) 6.077 4.156 ( 1.896 -2.659 0.449) 3.296 4.326 ( -2.884 2.235 -1.096) 3.810 4.426 ( 3.297 5.101 -6.814) 9.128 4.629 ( 0.434 -4.375 3.569) 5.663 4.727 ( -3.458 -0.469 6.487) 7.366 4.906 ( 0.143 -2.766 -1.841) 3.326 4.981 ( -0.182 1.532 0.195) 1.556 5.210 ( -0.862 2.902 0.851) 3.144 5.411 ( -1.767 -1.082 1.538) 2.580 5.450 ( 0.364 -2.437 -0.357) 2.490 5.565 ( 5.153 3.165 -0.583) 6.075 5.757 ( -2.336 0.705 1.592) 2.913 5.777 ( 0.836 -3.034 -0.921) 3.279 5.835 ( -0.610 -2.543 -1.459) 2.995 5.976 ( 3.446 3.365 -4.118) 6.337 6.089 ( -2.785 1.930 0.411) 3.414 6.212 ( 2.848 -0.444 1.139) 3.099 6.340 ( -1.455 -0.413 -0.866) 1.743 6.645 ( 2.320 -2.474 -0.556) 3.437 6.826 ( -5.427 -5.822 3.069) 8.530 7.021 ( 5.937 1.685 -1.435) 6.336 7.197 ( -1.574 0.255 0.191) 1.606 7.739 ( 4.121 -0.057 1.237) 4.303 7.961 ( -3.541 -0.417 -0.070) 3.566 8.186 ( 2.390 2.565 -1.933) 4.003 8.424 ( -8.381 -1.986 1.663) 8.772 8.684 ( 11.799 2.467 -0.804) 12.081 9.120 ( -5.467 0.114 1.288) 5.618 9.832 ( -2.620 0.310 7.499) 7.950 9.879 ( 0.378 1.017 -7.703) 7.779 10.051 ( -3.169 -0.495 6.028) 6.828 10.064 ( 1.579 -1.383 -6.459) 6.792 10.731 ( -0.679 0.426 -0.027) 0.802 10.855 ( -5.766 0.893 -5.480) 8.005 11.383 ( 9.875 -4.127 13.256) 17.037 11.866 ( -2.324 -3.841 -4.636) 6.453 12.160 ( -1.484 1.621 2.716) 3.494 12.249 ( -4.533 -4.957 -10.217) 12.228 13.430 ( 9.218 -1.252 13.196) 16.145 13.911 ( -2.303 0.361 -8.713) 9.019 ======================= Grid point 266 (116/138) ======================= q-point: (-0.27 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 1.970 2.661 4.754) 5.793 1.043 ( 0.150 5.707 5.373) 7.840 1.146 ( 0.556 4.440 -3.052) 5.416 1.236 ( -4.023 4.104 -3.063) 6.512 1.270 ( 3.124 0.891 2.316) 3.989 1.461 ( -2.635 3.469 5.840) 7.286 1.539 ( 2.694 0.588 -6.855) 7.389 1.599 ( 8.090 1.275 2.138) 8.464 1.704 ( -5.572 6.692 0.090) 8.709 1.799 ( -3.790 1.284 0.997) 4.124 1.913 ( 3.429 0.232 0.431) 3.464 2.105 ( -3.472 -0.494 -9.414) 10.046 2.149 ( 2.171 -0.642 -2.189) 3.149 2.207 ( -2.767 -0.173 1.840) 3.327 2.453 ( 4.104 -2.597 -0.442) 4.876 2.647 ( -1.924 -1.587 1.101) 2.726 2.671 ( 1.931 1.472 5.375) 5.898 2.751 ( 3.128 1.151 2.721) 4.302 2.779 ( 0.548 -1.297 -6.062) 6.224 2.870 ( 10.044 0.228 3.434) 10.617 2.919 ( -1.587 -3.656 1.742) 4.350 2.956 ( -0.960 2.928 -5.084) 5.945 3.109 ( -1.580 -0.586 1.230) 2.086 3.199 ( -8.162 1.302 -2.293) 8.577 3.265 ( 0.925 -1.526 0.428) 1.835 3.280 ( -0.860 -2.934 1.032) 3.227 3.473 ( 1.621 -2.802 3.673) 4.896 3.600 ( -2.920 -1.020 -4.813) 5.722 3.750 ( 2.462 2.086 6.120) 6.918 3.851 ( -2.981 1.287 -4.263) 5.359 4.000 ( 3.728 0.545 -1.086) 3.921 4.113 ( -5.775 -3.600 1.178) 6.907 4.214 ( 4.081 -2.496 -1.143) 4.918 4.325 ( -2.823 -4.286 1.253) 5.283 4.374 ( 5.839 2.323 -5.404) 8.288 4.600 ( -9.675 1.831 4.266) 10.731 4.821 ( 1.683 -5.932 6.645) 9.065 4.945 ( 2.019 -0.554 -3.040) 3.691 4.967 ( 0.433 -0.288 -0.878) 1.021 5.128 ( -2.523 3.460 -2.218) 4.823 5.422 ( 1.728 1.798 1.387) 2.854 5.471 ( 0.131 0.637 2.008) 2.110 5.541 ( 4.923 1.791 -0.896) 5.315 5.724 ( -5.092 1.071 -1.994) 5.573 5.808 ( 3.006 0.391 0.829) 3.143 5.892 ( -0.485 -3.873 -3.684) 5.367 5.954 ( 2.069 0.196 0.074) 2.080 6.036 ( -2.873 1.286 -0.346) 3.167 6.239 ( 3.618 0.073 2.771) 4.558 6.337 ( -1.486 -0.665 -1.934) 2.529 6.725 ( 3.591 -3.470 -0.198) 4.997 6.882 ( -6.077 -3.411 2.256) 7.325 7.060 ( 5.271 -1.521 1.010) 5.579 7.190 ( -0.537 -1.218 -4.009) 4.224 7.774 ( 5.956 0.423 2.065) 6.318 7.933 ( -3.405 0.928 0.380) 3.549 8.167 ( 1.541 0.210 -1.872) 2.434 8.384 ( -12.963 -1.735 1.976) 13.227 8.763 ( 13.358 -0.925 -0.901) 13.420 9.081 ( -7.079 -0.597 1.681) 7.300 9.840 ( -3.131 -1.007 10.623) 11.120 9.866 ( 1.924 -1.200 -10.990) 11.222 10.042 ( -3.828 -0.292 13.896) 14.417 10.105 ( 1.574 -3.473 -13.854) 14.369 10.732 ( -0.549 -0.833 0.480) 1.108 10.811 ( -4.371 -0.866 -4.200) 6.123 11.538 ( 8.850 -1.672 12.441) 15.359 11.860 ( -5.516 0.494 -7.244) 9.118 12.201 ( 3.520 -6.351 2.309) 7.619 12.342 ( -4.393 -9.386 -6.764) 12.375 13.564 ( 9.485 -2.382 14.179) 17.224 13.860 ( -2.127 0.662 -11.352) 11.569 ======================= Grid point 267 (117/138) ======================= q-point: (-0.18 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -1.077 9.694 1.335) 9.845 0.896 ( -4.590 11.014 -3.541) 12.447 1.051 ( 5.156 6.260 4.483) 9.267 1.133 ( -2.085 5.347 -2.312) 6.187 1.304 ( 4.622 -0.565 1.562) 4.911 1.402 ( -7.433 -0.132 0.859) 7.484 1.513 ( 2.598 4.706 -6.865) 8.719 1.518 ( -4.075 7.328 10.490) 13.429 1.695 ( 9.253 -2.230 -3.174) 10.033 1.786 ( -4.317 -2.947 2.861) 5.958 1.939 ( 6.653 0.858 2.397) 7.124 2.054 ( -4.125 0.502 -9.096) 10.000 2.148 ( 0.444 2.388 -1.704) 2.967 2.177 ( -5.538 -0.174 0.802) 5.599 2.509 ( 4.397 1.057 2.262) 5.057 2.612 ( -7.351 1.573 -1.748) 7.718 2.662 ( 4.733 3.072 7.373) 9.284 2.728 ( 1.874 2.343 -3.888) 4.911 2.782 ( 1.307 2.393 3.368) 4.334 2.847 ( -0.369 3.837 -7.585) 8.508 2.981 ( 5.889 -2.987 1.768) 6.836 3.018 ( 3.948 -3.274 2.243) 5.598 3.121 ( -1.619 -0.897 2.523) 3.129 3.135 ( -4.880 -1.961 -4.738) 7.078 3.286 ( 1.456 -1.568 -4.988) 5.427 3.320 ( -7.384 -3.304 4.335) 9.178 3.562 ( 2.212 -4.165 4.437) 6.475 3.604 ( -1.001 -2.644 -4.555) 5.361 3.741 ( 0.644 2.051 8.065) 8.347 3.777 ( -0.177 3.130 -5.909) 6.689 4.046 ( 4.524 -1.422 -2.354) 5.294 4.112 ( -6.024 -1.317 2.436) 6.630 4.325 ( 6.327 -4.730 -2.057) 8.163 4.380 ( 4.531 -0.787 -0.629) 4.642 4.416 ( -1.461 -4.959 -1.073) 5.280 4.516 ( -10.514 -0.095 4.033) 11.261 4.932 ( 3.425 -1.394 4.210) 5.603 4.944 ( 3.089 0.288 2.607) 4.053 4.996 ( -1.167 -2.992 -5.480) 6.352 5.046 ( -5.204 1.632 -4.331) 6.964 5.388 ( 4.508 2.966 -0.270) 5.403 5.440 ( -2.639 1.989 0.869) 3.417 5.564 ( 4.836 0.176 0.892) 4.921 5.644 ( -5.242 1.349 -2.340) 5.896 5.851 ( 5.831 -0.489 0.845) 5.912 5.921 ( -3.661 -0.454 -0.179) 3.694 5.972 ( 0.429 -1.156 3.917) 4.106 6.004 ( -1.173 0.038 -4.009) 4.177 6.282 ( 3.272 -1.049 2.743) 4.396 6.333 ( -2.232 -0.847 -2.067) 3.158 6.809 ( 4.004 -2.322 2.477) 5.249 6.890 ( -5.360 -2.462 -1.466) 6.078 7.149 ( 4.742 -3.369 3.525) 6.802 7.217 ( -1.017 -3.231 -5.706) 6.636 7.813 ( 6.111 1.024 1.410) 6.354 7.877 ( -2.396 2.732 -0.202) 3.639 8.197 ( 4.491 -1.772 -2.794) 5.578 8.331 ( -15.357 -3.163 3.983) 16.177 8.882 ( 12.885 -1.618 -0.693) 13.004 9.045 ( -9.296 -1.366 0.686) 9.421 9.859 ( 0.210 -0.128 4.360) 4.367 9.884 ( -0.174 -1.122 -4.000) 4.158 10.112 ( -2.151 -6.630 16.183) 17.620 10.166 ( 0.894 -6.891 -15.932) 17.382 10.748 ( 0.783 -0.456 1.569) 1.811 10.791 ( -3.339 -0.631 -3.269) 4.715 11.637 ( 7.499 -0.516 9.586) 12.181 11.780 ( -6.276 0.686 -8.415) 10.520 12.389 ( 6.998 -7.978 -1.662) 10.742 12.483 ( -6.803 -9.983 1.098) 12.131 13.700 ( 7.957 -1.780 9.657) 12.638 13.813 ( -1.915 0.289 -9.139) 9.342 ======================= Grid point 268 (118/138) ======================= q-point: (-0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -2.068 6.485 -5.850) 8.975 0.699 ( 2.068 6.485 5.850) 8.975 0.974 ( -3.173 6.844 -11.384) 13.656 0.974 ( 3.173 6.844 11.384) 13.656 1.314 ( -0.419 6.606 -10.367) 12.300 1.314 ( 0.419 6.606 10.367) 12.300 1.431 ( -3.544 0.200 -5.288) 6.369 1.431 ( 3.544 0.200 5.288) 6.369 1.825 ( -6.735 -4.374 -1.058) 8.100 1.825 ( 6.735 -4.374 1.058) 8.100 1.982 ( -6.924 1.312 -5.715) 9.073 1.982 ( 6.924 1.312 5.715) 9.073 2.118 ( -0.540 1.418 -1.098) 1.872 2.118 ( 0.540 1.418 1.098) 1.872 2.495 ( -6.284 4.580 -2.807) 8.267 2.495 ( 6.284 4.580 2.807) 8.267 2.631 ( -2.563 5.575 -6.798) 9.157 2.631 ( 2.563 5.575 6.798) 9.157 2.780 ( -1.076 0.506 -6.789) 6.892 2.780 ( 1.076 0.506 6.789) 6.892 3.066 ( 0.924 -1.900 -2.960) 3.637 3.066 ( -0.924 -1.900 2.960) 3.637 3.147 ( 0.291 -0.901 -4.157) 4.264 3.147 ( -0.291 -0.901 4.157) 4.264 3.338 ( 3.437 -2.703 -8.120) 9.222 3.338 ( -3.437 -2.703 8.120) 9.222 3.660 ( 1.377 -3.688 -6.676) 7.750 3.660 ( -1.377 -3.688 6.676) 7.750 3.727 ( 1.290 0.260 -6.805) 6.932 3.727 ( -1.290 0.260 6.805) 6.932 4.092 ( -0.130 -0.229 -0.922) 0.959 4.092 ( 0.130 -0.229 0.922) 0.959 4.432 ( 1.544 -3.144 -3.136) 4.702 4.432 ( -1.544 -3.144 3.136) 4.702 4.492 ( 3.847 -3.087 -3.372) 5.975 4.492 ( -3.847 -3.087 3.372) 5.975 4.954 ( -4.503 1.046 -3.394) 5.735 4.954 ( 4.503 1.046 3.394) 5.735 5.015 ( -0.414 -0.855 -4.726) 4.820 5.015 ( 0.414 -0.855 4.726) 4.820 5.398 ( -0.669 -0.674 -3.295) 3.429 5.398 ( 0.669 -0.674 3.295) 3.429 5.606 ( -4.139 -1.472 -2.136) 4.884 5.606 ( 4.139 -1.472 2.136) 4.884 5.878 ( -0.470 1.635 -0.263) 1.722 5.878 ( 0.470 1.635 0.263) 1.722 6.010 ( 0.574 -1.806 -3.574) 4.046 6.010 ( -0.574 -1.806 3.574) 4.046 6.323 ( -2.284 -0.252 -1.975) 3.030 6.323 ( 2.284 -0.252 1.975) 3.030 6.896 ( -2.391 -2.995 -10.035) 10.742 6.896 ( 2.391 -2.995 10.035) 10.742 7.257 ( 1.177 -3.854 -11.341) 12.035 7.257 ( -1.177 -3.854 11.341) 12.035 7.804 ( 0.917 3.605 -3.723) 5.263 7.804 ( -0.917 3.605 3.723) 5.263 8.300 ( -6.146 -3.574 0.654) 7.140 8.300 ( 6.146 -3.574 -0.654) 7.140 8.999 ( -10.482 -1.638 -1.279) 10.686 8.999 ( 10.482 -1.638 1.279) 10.686 9.867 ( 2.065 1.088 -8.779) 9.084 9.867 ( -2.065 1.088 8.779) 9.084 10.330 ( 4.057 -13.652 -18.126) 23.052 10.330 ( -4.057 -13.652 18.126) 23.052 10.778 ( 1.348 -2.080 -7.110) 7.530 10.778 ( -1.348 -2.080 7.110) 7.530 11.722 ( -4.564 -1.272 -7.979) 9.279 11.722 ( 4.564 -1.272 7.979) 9.279 12.553 ( -6.742 -2.308 1.093) 7.209 12.553 ( 6.742 -2.308 -1.093) 7.209 13.763 ( 7.666 2.032 -17.755) 19.446 13.763 ( -7.666 2.032 17.755) 19.446 ======================= Grid point 272 (119/138) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 8.322 0.000 -7.581) 11.257 0.692 ( 7.214 0.000 -10.623) 12.841 1.030 ( 5.554 0.000 12.170) 13.378 1.089 ( 8.945 0.000 9.705) 13.198 1.142 ( -7.424 -0.000 -4.342) 8.600 1.255 ( 14.778 0.000 -20.066) 24.921 1.396 ( 10.723 0.000 14.683) 18.182 1.458 ( -10.574 -0.000 -8.033) 13.279 1.687 ( -1.065 -0.000 -6.129) 6.220 1.780 ( -2.366 -0.000 3.907) 4.568 1.794 ( -2.563 -0.000 -2.647) 3.685 2.176 ( -5.030 -0.000 14.553) 15.397 2.200 ( -7.437 -0.000 -1.833) 7.659 2.258 ( -2.895 -0.000 -5.406) 6.132 2.425 ( 6.147 0.000 9.878) 11.634 2.443 ( 7.360 0.000 7.659) 10.622 2.564 ( -3.386 -0.000 -0.337) 3.403 2.585 ( -5.163 -0.000 -0.350) 5.175 2.679 ( 4.338 0.000 3.788) 5.759 2.795 ( 0.534 0.000 0.864) 1.016 2.976 ( 0.489 0.000 0.283) 0.565 2.986 ( 1.095 0.000 -8.416) 8.487 3.096 ( -1.484 -0.000 -2.948) 3.301 3.322 ( 5.001 0.000 4.948) 7.035 3.414 ( -1.700 -0.000 4.002) 4.348 3.462 ( 6.052 0.000 -9.288) 11.086 3.579 ( -2.598 -0.000 -1.415) 2.958 3.607 ( -5.397 -0.000 7.055) 8.882 3.795 ( 1.221 0.000 -5.989) 6.112 3.859 ( 3.173 0.000 1.912) 3.705 4.011 ( -5.365 -0.000 3.034) 6.164 4.226 ( 0.105 0.000 4.277) 4.278 4.379 ( -7.047 -0.000 6.467) 9.565 4.379 ( -3.690 -0.000 -2.098) 4.245 4.627 ( 2.988 0.000 3.123) 4.322 4.791 ( -1.091 -0.000 5.365) 5.475 4.897 ( -0.239 -0.000 -3.800) 3.807 4.929 ( 2.597 0.000 -6.869) 7.343 4.972 ( -3.359 -0.000 3.262) 4.682 5.254 ( -7.535 -0.000 -2.023) 7.802 5.289 ( 0.135 0.000 -3.330) 3.333 5.347 ( -1.738 -0.000 6.399) 6.631 5.519 ( -12.148 -0.000 1.494) 12.239 5.589 ( -5.119 -0.000 3.914) 6.444 5.838 ( -0.706 -0.000 -3.926) 3.989 5.910 ( 0.264 0.000 3.409) 3.419 6.082 ( 5.018 0.000 -1.700) 5.298 6.176 ( 0.995 0.000 2.053) 2.282 6.246 ( 6.186 0.000 -2.972) 6.863 6.364 ( 2.285 0.000 -0.656) 2.377 6.678 ( -12.623 -0.000 -2.241) 12.820 7.046 ( -3.863 -0.000 -0.881) 3.962 7.242 ( -2.839 -0.000 4.464) 5.290 7.262 ( -7.016 -0.000 -5.656) 9.011 7.618 ( 0.437 0.000 -3.156) 3.186 7.669 ( 2.290 0.000 2.977) 3.756 8.538 ( 14.109 0.000 12.572) 18.898 8.701 ( -8.707 -0.000 2.736) 9.127 8.932 ( 17.935 0.000 -14.590) 23.120 9.168 ( -2.766 -0.000 0.144) 2.769 9.716 ( -8.260 -0.000 10.951) 13.717 9.828 ( 1.170 0.000 -8.645) 8.724 10.569 ( -1.202 -0.000 0.361) 1.255 10.619 ( 1.271 0.000 -0.766) 1.484 11.026 ( -10.996 -0.000 -9.287) 14.393 11.036 ( -18.507 -0.000 9.276) 20.702 11.479 ( -1.252 -0.000 4.274) 4.453 11.970 ( 5.930 0.000 4.486) 7.436 12.353 ( 10.079 0.000 6.578) 12.035 12.575 ( -28.778 -0.000 -27.277) 39.651 13.208 ( 24.161 0.000 16.024) 28.991 13.681 ( -5.277 -0.000 -10.435) 11.693 ======================= Grid point 273 (120/138) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 9.796 -7.662 -1.848) 12.573 0.767 ( 8.769 -4.161 -6.315) 11.580 1.062 ( -1.793 1.687 -0.010) 2.461 1.117 ( 9.586 2.127 7.499) 12.355 1.173 ( 4.635 -2.623 2.488) 5.878 1.329 ( 12.034 -2.732 -16.882) 20.911 1.394 ( -7.147 -2.684 2.085) 7.914 1.555 ( 7.501 -3.077 2.327) 8.435 1.649 ( -2.502 1.110 -1.027) 2.923 1.739 ( 1.236 1.054 1.469) 2.190 1.820 ( 1.029 -1.265 2.370) 2.877 2.090 ( -6.518 2.829 -1.981) 7.376 2.182 ( -10.596 -2.855 6.648) 12.830 2.256 ( -0.402 -0.193 1.398) 1.468 2.468 ( -4.893 -1.880 0.259) 5.249 2.497 ( -9.929 -1.098 0.244) 9.992 2.511 ( 2.448 0.611 5.606) 6.147 2.595 ( 3.599 -2.576 1.363) 4.631 2.721 ( 8.358 1.034 -0.806) 8.460 2.803 ( 2.174 0.374 -0.183) 2.214 2.966 ( 0.936 0.673 -4.920) 5.053 3.007 ( 1.377 -1.233 -1.285) 2.251 3.080 ( 1.484 1.067 -0.593) 1.921 3.334 ( -3.554 1.739 2.766) 4.828 3.386 ( 1.959 2.376 4.167) 5.182 3.484 ( -0.160 0.524 -8.688) 8.705 3.583 ( 3.373 -1.009 4.193) 5.475 3.597 ( -4.168 -1.621 2.207) 4.987 3.755 ( -0.945 3.040 -5.714) 6.541 3.867 ( 3.579 2.241 1.879) 4.622 3.975 ( -4.589 0.334 3.753) 5.937 4.220 ( -1.662 0.852 2.922) 3.468 4.300 ( -5.103 3.017 4.755) 7.599 4.345 ( -1.963 1.293 -0.779) 2.476 4.638 ( 2.130 1.570 1.256) 2.929 4.752 ( -1.555 2.588 2.118) 3.688 4.865 ( -1.144 1.836 -1.805) 2.818 4.894 ( -1.645 1.448 -2.733) 3.503 5.011 ( -1.278 -4.305 -1.405) 4.705 5.114 ( -16.198 1.227 -5.514) 17.155 5.321 ( 1.741 -2.365 -2.439) 3.818 5.385 ( 0.763 -1.078 1.841) 2.266 5.469 ( -5.480 0.190 9.892) 11.311 5.545 ( -4.832 0.013 2.419) 5.404 5.859 ( 0.196 -0.663 1.113) 1.310 5.894 ( -0.314 0.744 -0.275) 0.853 6.097 ( 6.090 2.350 -3.807) 7.557 6.122 ( 4.649 3.375 1.354) 5.903 6.283 ( 0.063 0.288 2.293) 2.312 6.399 ( -2.221 1.461 -0.206) 2.666 6.612 ( -1.759 -3.506 -6.795) 7.846 7.033 ( -2.995 -0.514 0.263) 3.050 7.138 ( -5.200 4.755 1.760) 7.263 7.241 ( -5.407 -0.009 0.776) 5.462 7.616 ( 1.871 0.030 -2.910) 3.459 7.751 ( 2.106 -4.962 1.529) 5.603 8.556 ( 5.986 6.829 4.027) 9.934 8.678 ( -2.899 0.055 7.455) 7.999 8.984 ( 15.064 3.543 -11.682) 19.389 9.132 ( -3.082 1.239 -0.849) 3.428 9.727 ( -5.309 -3.846 7.294) 9.807 9.833 ( -0.551 -1.939 -6.214) 6.533 10.471 ( -3.253 9.585 -3.672) 10.768 10.565 ( -0.132 6.160 -1.783) 6.414 10.826 ( -5.948 6.277 7.203) 11.255 10.898 ( -3.008 2.241 -5.230) 6.437 11.507 ( -2.057 -1.075 5.547) 6.013 11.929 ( 4.582 6.720 -0.450) 8.146 12.377 ( -5.875 -1.997 -4.475) 7.650 12.599 ( -10.389 -10.879 -5.616) 16.057 13.362 ( 7.887 1.749 7.733) 11.183 13.670 ( -2.289 -4.965 -3.915) 6.724 ======================= Grid point 274 (121/138) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 3.932 -5.507 -5.396) 8.655 0.972 ( 9.810 -7.834 4.029) 13.184 1.024 ( -0.362 1.699 -1.911) 2.582 1.159 ( 11.226 -1.219 4.150) 12.030 1.273 ( 4.416 -3.175 -3.471) 6.452 1.430 ( 1.720 -2.793 -1.185) 3.487 1.461 ( 3.017 -6.323 0.046) 7.007 1.583 ( -0.106 4.304 1.717) 4.635 1.638 ( 1.840 -4.466 -3.300) 5.849 1.774 ( 5.108 -0.906 0.412) 5.204 1.850 ( 2.221 0.431 3.338) 4.033 2.057 ( -1.234 -3.032 0.227) 3.281 2.154 ( -11.119 -1.222 1.220) 11.252 2.242 ( -0.044 2.224 0.548) 2.291 2.430 ( -8.627 -3.265 -2.353) 9.519 2.475 ( -11.769 -3.665 0.446) 12.335 2.527 ( 0.868 0.897 0.605) 1.387 2.699 ( 4.874 -3.211 3.057) 6.589 2.732 ( 4.118 2.047 -2.926) 5.451 2.827 ( 6.024 0.016 -1.852) 6.302 2.949 ( -0.265 -0.047 -2.464) 2.478 2.992 ( 0.443 4.070 2.616) 4.858 3.104 ( 2.455 -1.400 2.608) 3.846 3.250 ( -5.166 2.955 0.379) 5.963 3.359 ( 1.310 3.573 3.959) 5.491 3.415 ( -3.760 1.729 -4.289) 5.960 3.575 ( -2.063 1.619 2.261) 3.462 3.649 ( -2.850 5.245 -4.254) 7.330 3.675 ( 2.892 -3.641 -1.969) 5.049 3.851 ( 2.372 1.312 1.587) 3.141 3.957 ( -1.612 0.060 2.051) 2.609 4.166 ( -5.445 2.360 -1.204) 6.056 4.286 ( 1.321 -1.776 3.763) 4.366 4.317 ( 0.561 0.867 1.703) 1.991 4.613 ( 1.905 2.610 -0.626) 3.291 4.709 ( -1.164 1.254 -0.604) 1.815 4.810 ( -6.187 0.367 -2.424) 6.655 4.869 ( 0.421 0.302 -0.791) 0.945 5.004 ( -8.184 0.247 -2.534) 8.571 5.072 ( -1.954 -3.316 -0.961) 3.967 5.342 ( -2.522 0.806 4.482) 5.206 5.408 ( 1.513 -1.688 -4.090) 4.677 5.459 ( -0.293 1.253 10.467) 10.546 5.557 ( -4.342 -4.037 0.315) 5.937 5.835 ( 3.748 1.827 -0.708) 4.229 5.926 ( -1.936 -2.620 1.398) 3.545 6.080 ( 6.149 3.274 -2.631) 7.447 6.123 ( 3.753 0.955 1.316) 4.090 6.246 ( -0.771 4.207 -0.380) 4.294 6.316 ( -6.289 0.859 -0.668) 6.382 6.688 ( 2.505 -2.918 -6.373) 7.444 6.967 ( -5.485 5.586 4.846) 9.207 7.065 ( -3.610 -1.084 2.676) 4.623 7.208 ( -2.120 0.403 -0.518) 2.220 7.629 ( 3.002 -0.212 -2.466) 3.891 7.854 ( 0.685 -4.277 1.217) 4.499 8.458 ( 3.216 6.733 -1.754) 7.664 8.656 ( -0.410 2.724 5.303) 5.976 8.961 ( 7.647 5.788 -2.918) 10.024 9.100 ( 0.707 -0.010 -5.028) 5.077 9.786 ( -0.338 -3.132 -2.482) 4.010 9.858 ( -2.536 -2.613 2.952) 4.688 10.245 ( 2.397 10.571 -6.701) 12.744 10.426 ( -1.596 7.781 4.879) 9.321 10.792 ( -0.866 -2.317 3.307) 4.130 10.885 ( -1.458 -1.173 -0.903) 2.078 11.464 ( 0.508 5.723 0.835) 5.806 11.866 ( 0.742 1.658 -0.161) 1.823 12.290 ( -8.155 4.648 -4.624) 10.464 12.654 ( -7.735 -1.893 2.134) 8.245 13.331 ( 1.477 2.964 -1.941) 3.839 13.772 ( -0.785 -5.535 2.670) 6.196 ======================= Grid point 275 (122/138) ======================= q-point: ( 0.45 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 3.269 -5.084 -2.345) 6.483 0.983 ( 2.617 2.384 -1.799) 3.970 1.106 ( 5.353 -1.514 1.819) 5.853 1.325 ( 2.935 -1.506 -0.915) 3.423 1.345 ( 6.638 -4.295 2.029) 8.163 1.478 ( 0.485 -2.021 0.629) 2.171 1.532 ( 3.207 0.751 0.091) 3.295 1.610 ( 3.782 -6.118 3.327) 7.925 1.765 ( 3.483 -7.015 -0.907) 7.885 1.819 ( 5.351 0.477 -0.129) 5.373 1.876 ( 2.728 -0.731 -0.066) 2.825 2.072 ( -8.862 -1.051 -3.769) 9.687 2.117 ( 0.524 0.974 3.522) 3.691 2.234 ( -0.316 -3.801 -1.788) 4.213 2.429 ( -6.225 -0.262 -3.839) 7.318 2.472 ( -6.514 -3.598 -0.757) 7.480 2.484 ( -5.239 0.545 -2.409) 5.792 2.684 ( 3.433 4.708 1.163) 5.942 2.791 ( 3.633 -1.431 0.578) 3.947 2.854 ( 1.810 1.410 3.605) 4.273 2.913 ( 2.265 2.794 -0.545) 3.638 2.974 ( -2.079 -3.242 0.227) 3.858 3.137 ( 0.428 0.405 2.926) 2.985 3.175 ( -4.454 0.944 1.069) 4.677 3.311 ( 1.412 2.426 2.010) 3.452 3.362 ( -2.751 1.582 -1.883) 3.690 3.513 ( -5.141 2.839 -1.656) 6.102 3.533 ( -0.657 3.889 2.219) 4.526 3.722 ( -0.658 -1.068 -2.039) 2.394 3.874 ( 2.870 -1.247 0.215) 3.136 3.959 ( 0.355 -0.215 -0.835) 0.932 4.078 ( -5.350 1.407 -3.036) 6.310 4.302 ( 2.506 0.381 -1.738) 3.073 4.383 ( 1.397 -3.329 5.583) 6.648 4.573 ( 5.343 3.394 -0.833) 6.384 4.667 ( -4.143 1.681 -1.005) 4.583 4.768 ( -2.334 0.487 -2.755) 3.644 4.873 ( -0.595 -0.356 0.046) 0.695 4.972 ( -1.390 -1.311 -2.062) 2.811 5.089 ( -2.553 -0.573 0.688) 2.705 5.318 ( -3.379 -0.078 7.120) 7.882 5.436 ( 1.004 -0.815 -5.293) 5.449 5.472 ( 1.735 -1.071 4.005) 4.495 5.607 ( -3.637 -3.937 -0.057) 5.360 5.874 ( 3.834 -2.639 1.561) 4.909 5.937 ( -1.927 1.119 2.064) 3.037 6.053 ( 4.639 3.688 0.549) 5.951 6.131 ( 1.623 0.459 -1.482) 2.246 6.146 ( 0.439 4.536 -0.202) 4.561 6.287 ( -5.869 -2.114 -0.823) 6.292 6.691 ( -0.043 1.816 -4.392) 4.753 6.837 ( -6.190 4.384 3.499) 8.353 7.099 ( -0.482 -2.957 2.693) 4.029 7.185 ( 0.425 1.541 -1.596) 2.259 7.657 ( 3.867 -0.596 -0.899) 4.015 7.916 ( -1.171 -2.470 0.205) 2.742 8.365 ( 3.076 4.826 -2.468) 6.232 8.592 ( 0.247 5.301 3.106) 6.149 8.895 ( 4.984 5.205 -0.108) 7.207 9.110 ( 0.875 -1.023 -4.237) 4.446 9.815 ( 2.868 -0.914 -7.646) 8.217 9.906 ( -2.660 -2.140 10.127) 10.687 10.103 ( 2.991 5.668 -4.462) 7.809 10.285 ( -1.816 7.500 4.499) 8.933 10.832 ( 1.406 0.343 -2.158) 2.599 10.911 ( -4.354 -4.070 5.038) 7.804 11.349 ( 4.279 6.949 -3.778) 8.993 11.839 ( -5.026 1.007 -1.042) 5.231 12.125 ( -3.357 5.366 -2.983) 6.998 12.570 ( -10.454 3.683 0.827) 11.114 13.324 ( 6.493 0.677 3.580) 7.445 13.851 ( -2.049 -3.802 -0.598) 4.360 ======================= Grid point 276 (123/138) ======================= q-point: ( 0.55 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 4.375 1.177 -1.118) 4.667 1.038 ( 2.422 -3.889 1.708) 4.890 1.158 ( 4.746 -0.741 0.565) 4.837 1.341 ( 1.185 1.586 2.125) 2.904 1.382 ( 3.795 2.393 -2.132) 4.967 1.503 ( -1.000 -1.174 0.237) 1.560 1.585 ( 7.555 0.073 1.461) 7.696 1.745 ( 1.741 -4.578 2.472) 5.486 1.842 ( 2.185 0.228 2.182) 3.096 1.876 ( 0.362 0.393 0.218) 0.577 1.933 ( 4.232 -5.173 -0.372) 6.694 2.049 ( 0.035 -1.859 -2.245) 2.915 2.101 ( -2.836 -0.141 -2.897) 4.056 2.280 ( -4.641 -0.114 -6.162) 7.715 2.346 ( -6.271 1.698 -6.374) 9.102 2.457 ( 3.620 -3.219 1.521) 5.077 2.530 ( -6.413 -4.970 3.109) 8.688 2.606 ( 3.510 5.185 -0.310) 6.269 2.795 ( -1.206 0.445 -0.085) 1.288 2.867 ( 8.148 1.186 3.441) 8.924 2.944 ( 1.115 -2.532 2.715) 3.877 2.986 ( -6.919 0.001 -1.599) 7.101 3.120 ( -0.842 -0.090 0.605) 1.041 3.169 ( -1.953 -0.946 4.571) 5.060 3.291 ( -0.504 0.668 0.081) 0.841 3.301 ( -3.139 1.892 -2.456) 4.411 3.440 ( 1.117 2.858 1.794) 3.555 3.495 ( -2.935 -0.270 3.883) 4.874 3.718 ( -2.728 -0.990 -1.227) 3.151 3.877 ( -1.936 1.754 -7.596) 8.033 3.971 ( 1.971 -1.157 3.140) 3.884 4.061 ( -0.811 -1.853 -2.024) 2.862 4.314 ( 3.781 1.520 -1.963) 4.523 4.400 ( 0.008 1.782 1.476) 2.314 4.577 ( -1.612 2.337 -5.318) 6.028 4.616 ( 5.528 0.018 3.885) 6.756 4.713 ( -1.761 3.073 0.253) 3.551 4.857 ( -3.217 0.929 -0.363) 3.368 5.006 ( 1.285 -1.617 -0.748) 2.197 5.111 ( 0.579 -3.891 -0.443) 3.959 5.333 ( -3.190 -2.475 3.499) 5.342 5.427 ( -2.681 0.297 -1.658) 3.166 5.538 ( 4.213 -2.703 0.065) 5.006 5.653 ( -3.149 -3.910 0.126) 5.022 5.859 ( -1.152 5.397 3.506) 6.538 5.926 ( 0.386 2.716 -2.042) 3.420 6.026 ( 4.295 0.215 4.409) 6.159 6.126 ( 1.884 -0.736 1.034) 2.272 6.137 ( 1.096 -0.481 -1.905) 2.250 6.296 ( -4.271 -2.564 -0.167) 4.985 6.635 ( -0.498 2.005 -3.344) 3.931 6.737 ( -5.950 2.063 1.060) 6.386 7.142 ( 4.369 2.479 -5.421) 7.391 7.163 ( -2.135 -1.858 5.702) 6.366 7.701 ( 4.363 -1.071 0.455) 4.515 7.932 ( -3.003 -1.128 -1.186) 3.420 8.316 ( 4.566 3.171 -2.188) 5.975 8.486 ( -1.507 5.817 3.111) 6.766 8.848 ( 7.333 4.675 -0.550) 8.714 9.114 ( -2.917 -0.588 -1.482) 3.324 9.839 ( 3.629 -0.573 -4.737) 5.995 9.925 ( -1.047 0.725 6.380) 6.505 10.050 ( -0.556 0.943 -0.303) 1.136 10.141 ( -2.453 6.621 0.646) 7.091 10.806 ( 0.923 2.589 0.890) 2.889 10.935 ( -5.366 0.026 -0.399) 5.381 11.297 ( 8.293 1.974 0.968) 8.580 11.756 ( -8.339 -0.019 -5.012) 9.730 12.076 ( 1.326 -0.246 -0.602) 1.477 12.403 ( -10.018 5.571 -1.801) 11.603 13.402 ( 9.530 -0.516 10.591) 14.256 13.880 ( -3.223 -2.136 -5.774) 6.949 ======================= Grid point 277 (124/138) ======================= q-point: ( 0.64 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 5.082 -0.545 -0.175) 5.114 1.088 ( -1.488 -1.372 0.671) 2.133 1.232 ( 6.792 -1.161 6.037) 9.161 1.296 ( 1.192 3.247 2.503) 4.270 1.346 ( 1.975 3.504 -2.370) 4.669 1.506 ( -2.845 -0.766 -4.010) 4.976 1.636 ( 9.077 1.033 4.599) 10.228 1.787 ( 4.808 4.438 -3.587) 7.462 1.831 ( -3.764 1.430 1.417) 4.269 1.855 ( 0.511 -0.500 3.780) 3.847 1.956 ( -4.018 2.739 0.555) 4.894 2.057 ( -7.102 -0.809 -9.341) 11.762 2.158 ( 7.181 -3.434 0.956) 8.017 2.191 ( -0.940 2.671 -1.920) 3.421 2.327 ( -0.681 -3.721 -4.789) 6.103 2.531 ( -7.019 -3.690 1.153) 8.013 2.592 ( 5.672 -2.729 -0.521) 6.316 2.630 ( 5.736 -3.496 3.179) 7.431 2.793 ( -2.125 -1.586 -0.206) 2.660 2.877 ( -8.214 3.384 -3.429) 9.523 2.913 ( 8.493 1.155 1.898) 8.779 3.003 ( -1.571 -1.871 4.710) 5.306 3.110 ( -1.209 0.765 -1.980) 2.443 3.199 ( -2.226 -1.908 6.010) 6.687 3.243 ( -3.079 1.356 -0.263) 3.375 3.278 ( 0.101 0.167 -3.170) 3.176 3.431 ( 3.641 1.099 5.758) 6.901 3.518 ( -2.251 -2.969 1.289) 3.943 3.733 ( -2.495 -3.255 -1.284) 4.298 3.807 ( -3.010 0.967 -6.837) 7.532 4.008 ( 1.196 -0.667 1.791) 2.255 4.083 ( -2.166 -1.182 -1.034) 2.676 4.253 ( 5.192 6.317 -1.266) 8.274 4.364 ( -1.811 3.228 -1.031) 3.842 4.539 ( 4.086 2.386 -3.706) 6.010 4.596 ( 3.927 1.975 2.529) 5.071 4.712 ( -4.152 -0.930 3.600) 5.573 4.813 ( -5.892 -1.946 -3.265) 7.012 5.038 ( 4.838 0.708 3.112) 5.796 5.200 ( -0.875 -3.379 -0.834) 3.588 5.376 ( -2.783 -3.285 1.896) 4.705 5.388 ( -1.761 -0.147 -2.231) 2.846 5.616 ( 4.229 -1.788 0.090) 4.593 5.705 ( -2.705 -3.566 -0.379) 4.492 5.780 ( 1.145 2.695 1.763) 3.418 5.841 ( -1.764 3.418 0.098) 3.848 6.052 ( 4.047 2.273 -0.689) 4.692 6.112 ( -1.093 1.992 1.066) 2.510 6.201 ( 3.356 -2.862 -1.079) 4.541 6.308 ( -3.574 -1.459 0.916) 3.967 6.623 ( 2.016 -1.303 -3.497) 4.242 6.703 ( -5.616 -2.904 2.959) 6.981 7.107 ( 5.285 2.965 -3.898) 7.206 7.184 ( -2.881 -0.438 4.041) 4.982 7.758 ( 4.816 -1.191 0.967) 5.054 7.917 ( -4.366 -0.681 -1.434) 4.646 8.282 ( 5.150 4.190 -2.754) 7.188 8.392 ( -4.088 2.804 3.111) 5.852 8.827 ( 10.169 3.902 -0.738) 10.917 9.080 ( -6.741 0.333 0.528) 6.770 9.847 ( 0.423 1.178 2.188) 2.521 9.900 ( -0.470 2.213 -2.263) 3.199 10.030 ( -0.309 0.355 -2.051) 2.104 10.056 ( -2.311 0.453 2.276) 3.275 10.762 ( 0.475 2.725 1.246) 3.034 10.847 ( -4.631 3.324 -4.060) 6.999 11.404 ( 9.720 -4.066 10.592) 14.940 11.737 ( -6.190 -4.773 -8.309) 11.408 12.109 ( 0.494 -2.267 -0.828) 2.463 12.235 ( -6.900 4.781 -2.838) 8.861 13.514 ( 9.921 -0.724 14.378) 17.484 13.860 ( -4.531 -0.784 -10.420) 11.389 ======================= Grid point 278 (125/138) ======================= q-point: (-0.27 0.18 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 4.835 -1.111 0.835) 5.031 1.105 ( -2.957 -1.639 0.902) 3.499 1.210 ( 0.603 5.213 7.598) 9.234 1.260 ( -0.416 5.080 -8.210) 9.663 1.343 ( 5.886 -0.753 8.593) 10.443 1.472 ( -5.643 0.047 -6.879) 8.898 1.660 ( 7.831 8.136 -7.118) 13.348 1.700 ( 9.023 2.173 7.196) 11.744 1.761 ( -9.544 4.852 7.477) 13.059 1.823 ( -3.793 4.167 -4.067) 6.949 1.911 ( 3.289 -2.312 1.690) 4.361 2.013 ( -6.506 -2.215 -9.239) 11.515 2.171 ( 2.633 0.907 0.064) 2.786 2.206 ( -1.253 0.214 0.701) 1.451 2.435 ( 7.838 -4.238 -0.398) 8.919 2.563 ( -7.391 -4.140 -0.594) 8.492 2.676 ( 4.451 -2.461 1.518) 5.308 2.756 ( 4.815 -2.775 2.342) 6.031 2.764 ( -4.767 0.026 -2.814) 5.535 2.827 ( -2.416 -3.384 -0.117) 4.159 2.960 ( 8.435 0.717 1.526) 8.602 3.002 ( -0.573 1.261 0.664) 1.536 3.077 ( -2.524 0.833 1.648) 3.127 3.153 ( -8.117 1.321 -4.373) 9.314 3.256 ( 0.327 -0.512 7.996) 8.019 3.276 ( 1.525 0.014 -4.775) 5.013 3.468 ( 3.499 -0.776 5.466) 6.537 3.541 ( -3.204 -1.414 -3.958) 5.285 3.785 ( -0.414 -1.706 1.550) 2.342 3.794 ( -1.225 -3.355 -3.783) 5.202 4.030 ( -0.752 -1.360 1.216) 1.973 4.046 ( -1.614 2.119 -1.763) 3.194 4.219 ( 4.865 1.054 0.915) 5.061 4.282 ( -3.182 1.928 -0.989) 3.850 4.483 ( 8.322 4.805 -5.912) 11.283 4.589 ( -8.530 3.068 4.212) 9.995 4.745 ( 2.778 -5.375 7.734) 9.820 4.838 ( -4.496 -4.833 -7.378) 9.900 5.058 ( 6.240 2.663 5.106) 8.491 5.163 ( -5.016 3.173 -2.804) 6.564 5.416 ( 0.522 -2.924 3.359) 4.484 5.441 ( -0.565 -3.395 -2.959) 4.539 5.638 ( 4.803 2.749 0.890) 5.605 5.707 ( -4.137 0.970 -0.860) 4.335 5.799 ( 1.384 -2.380 1.434) 3.104 5.821 ( -0.690 -2.288 -1.420) 2.779 6.011 ( 3.860 3.551 -3.797) 6.475 6.050 ( -3.455 2.798 2.155) 4.941 6.259 ( 3.029 -1.044 0.943) 3.340 6.306 ( -2.697 -0.849 -0.952) 2.983 6.690 ( 4.588 -3.589 -1.660) 6.057 6.756 ( -5.841 -5.213 2.623) 8.256 7.101 ( 5.841 1.147 -2.178) 6.339 7.162 ( -3.969 0.320 1.849) 4.390 7.814 ( 5.388 -0.718 0.942) 5.516 7.895 ( -5.158 -0.852 -0.552) 5.257 8.234 ( 5.520 3.726 -2.221) 7.021 8.318 ( -7.410 1.836 1.914) 7.871 8.859 ( 12.541 1.132 -0.949) 12.628 9.016 ( -9.807 0.102 1.455) 9.915 9.833 ( -2.431 0.411 8.961) 9.294 9.849 ( 1.133 0.996 -9.113) 9.237 10.042 ( -1.841 -0.721 6.088) 6.401 10.052 ( 1.021 -0.913 -6.290) 6.437 10.732 ( 0.760 0.868 1.160) 1.636 10.770 ( -3.280 0.804 -3.040) 4.543 11.586 ( 9.411 -3.937 13.631) 17.026 11.763 ( -6.839 -4.011 -10.928) 13.501 12.149 ( -1.358 -1.201 3.350) 3.809 12.167 ( -1.251 -4.372 -6.111) 7.618 13.632 ( 8.796 -1.079 15.478) 17.836 13.804 ( -5.535 -0.381 -13.523) 14.617 ======================= Grid point 279 (126/138) ======================= q-point: (-0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -0.868 7.286 -4.160) 8.434 1.045 ( 0.868 7.286 4.160) 8.434 1.165 ( -2.092 1.395 -2.485) 3.535 1.165 ( 2.092 1.395 2.485) 3.535 1.376 ( -7.417 3.359 -3.353) 8.805 1.376 ( 7.417 3.359 3.353) 8.805 1.604 ( 4.469 3.690 -6.039) 8.370 1.604 ( -4.469 3.690 6.039) 8.370 1.735 ( 4.122 1.441 -6.302) 7.667 1.735 ( -4.122 1.441 6.302) 7.667 1.989 ( -5.496 -1.332 -6.580) 8.676 1.989 ( 5.496 -1.332 6.580) 8.676 2.176 ( 0.987 0.894 -2.562) 2.887 2.176 ( -0.987 0.894 2.562) 2.887 2.551 ( -8.308 -1.554 -1.438) 8.573 2.551 ( 8.308 -1.554 1.438) 8.573 2.731 ( -1.559 -0.142 -6.217) 6.411 2.731 ( 1.559 -0.142 6.217) 6.411 2.849 ( -4.819 -0.289 -4.098) 6.333 2.849 ( 4.819 -0.289 4.098) 6.333 2.999 ( 0.571 -0.735 -1.567) 1.822 2.999 ( -0.571 -0.735 1.567) 1.822 3.071 ( -1.887 -0.501 -4.950) 5.321 3.071 ( 1.887 -0.501 4.950) 5.321 3.272 ( 1.798 -0.241 -6.436) 6.687 3.272 ( -1.798 -0.241 6.436) 6.687 3.532 ( -1.599 -2.115 -6.929) 7.419 3.532 ( 1.599 -2.115 6.929) 7.419 3.803 ( -1.143 1.253 -5.597) 5.848 3.803 ( 1.143 1.253 5.597) 5.848 4.046 ( 1.730 -1.615 -3.545) 4.262 4.046 ( -1.730 -1.615 3.545) 4.262 4.274 ( -0.453 -3.769 -2.308) 4.443 4.274 ( 0.453 -3.769 2.308) 4.443 4.472 ( 6.184 2.357 -4.410) 7.953 4.472 ( -6.184 2.357 4.410) 7.953 4.886 ( -1.987 -4.845 -8.440) 9.933 4.886 ( 1.987 -4.845 8.440) 9.933 5.051 ( -4.791 3.470 -5.159) 7.850 5.051 ( 4.791 3.470 5.159) 7.850 5.457 ( -0.690 0.699 -2.521) 2.705 5.457 ( 0.690 0.699 2.521) 2.705 5.629 ( -6.150 2.198 -2.075) 6.853 5.629 ( 6.150 2.198 2.075) 6.853 5.859 ( -2.309 -2.352 -2.402) 4.079 5.859 ( 2.309 -2.352 2.402) 4.079 5.992 ( 0.415 0.936 -4.166) 4.290 5.992 ( -0.415 0.936 4.166) 4.290 6.296 ( -2.063 -0.587 -3.230) 3.877 6.296 ( 2.063 -0.587 3.230) 3.877 6.795 ( 1.793 -3.383 -8.430) 9.259 6.795 ( -1.793 -3.383 8.430) 9.259 7.141 ( 1.258 -1.522 -9.614) 9.815 7.141 ( -1.258 -1.522 9.614) 9.815 7.866 ( -4.468 -0.132 -1.453) 4.700 7.866 ( 4.468 -0.132 1.453) 4.700 8.234 ( -6.607 0.904 1.205) 6.776 8.234 ( 6.607 0.904 -1.205) 6.776 8.947 ( -11.343 -0.882 0.798) 11.405 8.947 ( 11.343 -0.882 -0.798) 11.405 9.847 ( 3.017 -1.412 -11.887) 12.345 9.847 ( -3.017 -1.412 11.887) 12.345 10.065 ( 2.662 -1.768 -15.892) 16.210 10.065 ( -2.662 -1.768 15.892) 16.210 10.749 ( -1.873 -0.862 -2.486) 3.229 10.749 ( 1.873 -0.862 2.486) 3.229 11.716 ( -7.083 -0.185 -12.397) 14.279 11.716 ( 7.083 -0.185 12.397) 14.279 12.263 ( -2.196 -8.623 -4.887) 10.152 12.263 ( 2.196 -8.623 4.887) 10.152 13.744 ( -2.171 -1.262 -19.576) 19.736 13.744 ( 2.171 -1.262 19.576) 19.736 ======================= Grid point 285 (127/138) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 13.118 0.000 0.354) 13.123 0.779 ( 10.279 0.000 -6.138) 11.972 1.050 ( -2.320 -0.000 -3.726) 4.389 1.181 ( 8.548 0.000 7.821) 11.586 1.238 ( 5.180 0.000 3.738) 6.388 1.352 ( 0.437 0.000 2.473) 2.511 1.378 ( 13.188 0.000 -15.111) 20.056 1.591 ( 8.059 0.000 7.137) 10.765 1.604 ( -4.453 -0.000 -4.255) 6.159 1.781 ( -0.060 -0.000 4.512) 4.513 1.808 ( 5.025 0.000 -6.047) 7.862 2.069 ( -8.597 -0.000 -2.268) 8.891 2.081 ( -12.025 -0.000 9.260) 15.177 2.245 ( -1.251 -0.000 3.129) 3.370 2.380 ( -11.274 -0.000 3.050) 11.679 2.440 ( -10.003 -0.000 -2.453) 10.299 2.534 ( -0.195 -0.000 1.801) 1.811 2.588 ( 1.985 0.000 1.123) 2.281 2.815 ( 3.374 0.000 -1.128) 3.557 2.826 ( 12.766 0.000 0.162) 12.767 2.979 ( 3.244 0.000 -8.575) 9.168 2.994 ( 1.040 0.000 3.298) 3.458 3.122 ( 5.589 0.000 -0.967) 5.672 3.334 ( -3.955 -0.000 2.883) 4.894 3.438 ( -0.693 -0.000 7.534) 7.565 3.464 ( 2.617 0.000 -11.645) 11.936 3.551 ( -5.584 -0.000 2.642) 6.177 3.597 ( 1.809 0.000 4.514) 4.863 3.757 ( -2.519 -0.000 -6.268) 6.755 3.914 ( 3.010 0.000 1.512) 3.368 3.959 ( -3.604 -0.000 4.749) 5.961 4.216 ( -3.515 -0.000 2.531) 4.331 4.318 ( -2.322 -0.000 -3.718) 4.384 4.335 ( -4.787 -0.000 9.410) 10.557 4.678 ( 2.222 0.000 0.921) 2.406 4.748 ( -7.699 -0.000 2.904) 8.229 4.875 ( -6.066 -0.000 0.958) 6.141 4.902 ( -2.235 -0.000 -1.828) 2.888 4.924 ( -4.907 -0.000 -7.233) 8.741 4.976 ( -11.184 -0.000 -5.669) 12.539 5.311 ( 3.374 0.000 -1.912) 3.878 5.376 ( -0.958 -0.000 -3.492) 3.621 5.407 ( -7.032 -0.000 3.053) 7.667 5.538 ( -4.656 -0.000 3.677) 5.933 5.847 ( 3.032 0.000 6.804) 7.449 5.921 ( -0.399 -0.000 2.737) 2.765 6.160 ( 6.307 0.000 -1.942) 6.599 6.205 ( 1.673 0.000 2.031) 2.631 6.308 ( 0.484 0.000 0.951) 1.067 6.380 ( 0.350 0.000 -1.181) 1.232 6.556 ( -1.109 -0.000 -2.042) 2.323 7.002 ( -1.422 -0.000 -1.829) 2.316 7.156 ( -10.149 -0.000 2.207) 10.386 7.192 ( -1.141 -0.000 -3.991) 4.151 7.645 ( 4.703 0.000 -2.775) 5.460 7.712 ( 1.881 0.000 2.766) 3.345 8.627 ( -4.551 -0.000 4.693) 6.537 8.707 ( 1.287 0.000 7.498) 7.607 9.089 ( 13.547 0.000 -14.293) 19.692 9.142 ( 0.197 0.000 3.240) 3.246 9.657 ( -7.221 -0.000 11.986) 13.993 9.790 ( -0.489 -0.000 -9.983) 9.995 10.515 ( -5.974 -0.000 -2.203) 6.367 10.605 ( -3.865 -0.000 -0.300) 3.876 10.866 ( -10.413 -0.000 9.778) 14.285 10.879 ( -2.722 -0.000 -8.641) 9.060 11.503 ( 1.040 0.000 5.626) 5.722 12.032 ( -2.073 -0.000 -12.832) 12.998 12.208 ( -4.726 -0.000 -6.649) 8.157 12.505 ( 6.446 0.000 5.607) 8.543 13.512 ( 9.855 0.000 11.740) 15.329 13.553 ( -4.958 -0.000 -9.179) 10.432 ======================= Grid point 286 (128/138) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 9.213 -2.178 -1.615) 9.604 0.916 ( 12.664 -6.842 1.539) 14.476 1.032 ( 0.327 0.290 -2.583) 2.619 1.250 ( 5.971 -1.116 -1.468) 6.249 1.294 ( 6.675 2.842 7.020) 10.095 1.376 ( 3.258 -3.060 5.831) 7.347 1.436 ( 9.437 -0.710 -8.094) 12.453 1.580 ( 1.438 -1.770 -4.144) 4.729 1.645 ( -0.213 1.826 0.515) 1.909 1.794 ( 3.065 -0.342 -0.070) 3.085 1.861 ( 2.651 -2.385 -0.809) 3.657 1.982 ( -7.158 0.061 1.056) 7.236 2.076 ( -5.383 -3.243 6.643) 9.144 2.247 ( -4.622 -1.680 3.082) 5.804 2.312 ( -11.489 1.785 -0.635) 11.644 2.358 ( -6.844 -1.970 -3.304) 7.851 2.517 ( -4.044 0.031 -1.459) 4.299 2.639 ( 0.022 -4.238 -0.317) 4.250 2.817 ( 5.663 2.465 -1.655) 6.393 2.898 ( 9.481 1.366 -1.339) 9.672 2.973 ( 2.819 1.339 -2.371) 3.919 3.041 ( 3.999 -0.858 3.226) 5.209 3.139 ( 5.009 1.976 1.058) 5.487 3.277 ( -4.272 3.134 0.702) 5.344 3.398 ( -2.402 1.250 -0.629) 2.780 3.460 ( -0.450 4.150 2.515) 4.873 3.535 ( -3.089 -3.059 -3.165) 5.377 3.641 ( 1.533 -1.787 3.410) 4.144 3.690 ( -4.715 2.878 -4.699) 7.252 3.915 ( 2.543 2.178 0.721) 3.425 3.953 ( -0.833 -0.135 3.056) 3.171 4.165 ( -7.009 2.305 -0.590) 7.402 4.280 ( -0.594 0.322 3.406) 3.473 4.327 ( -1.559 -0.028 2.719) 3.134 4.649 ( -2.874 1.953 -1.558) 3.808 4.698 ( -6.258 0.078 1.630) 6.467 4.766 ( -6.432 1.701 -3.054) 7.321 4.871 ( -2.516 -0.354 -2.135) 3.318 4.921 ( -6.029 -2.698 -0.026) 6.605 4.984 ( -1.034 -3.234 -3.608) 4.954 5.328 ( -0.053 -0.538 -2.070) 2.140 5.375 ( 0.942 -1.544 -3.640) 4.064 5.415 ( -5.180 -3.984 3.006) 7.193 5.529 ( -3.011 -0.835 5.644) 6.451 5.888 ( 2.587 0.944 4.007) 4.862 5.914 ( 2.264 0.856 3.881) 4.573 6.167 ( 5.201 2.716 -3.840) 7.013 6.187 ( 3.283 2.855 0.799) 4.424 6.264 ( -4.618 1.350 2.532) 5.437 6.344 ( -3.543 4.059 0.304) 5.396 6.631 ( 6.083 -4.965 -4.035) 8.828 7.009 ( -0.454 -1.329 0.103) 1.409 7.039 ( -9.444 4.068 2.855) 10.672 7.185 ( -1.660 -0.606 -3.107) 3.574 7.658 ( 4.745 0.794 -1.657) 5.088 7.781 ( 0.946 -4.121 1.634) 4.533 8.568 ( -1.986 4.220 2.344) 5.220 8.701 ( -1.782 0.904 2.955) 3.567 9.097 ( 1.974 5.646 5.449) 8.091 9.128 ( 8.150 1.793 -12.078) 14.680 9.694 ( -3.945 -5.108 8.025) 10.298 9.790 ( -0.871 -2.747 -7.611) 8.138 10.402 ( -3.067 6.094 -4.448) 8.144 10.529 ( -4.896 4.261 0.990) 6.566 10.789 ( -4.535 2.837 9.839) 11.199 10.849 ( 0.472 -0.364 -7.690) 7.713 11.533 ( 1.303 0.114 6.840) 6.964 11.942 ( -2.022 3.181 -11.051) 11.676 12.223 ( -2.736 -1.748 -1.518) 3.584 12.576 ( -1.314 -1.723 3.635) 4.232 13.427 ( 2.843 5.058 -3.118) 6.587 13.670 ( 0.199 -5.703 3.862) 6.890 ======================= Grid point 287 (129/138) ======================= q-point: ( 0.45 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 6.391 -3.229 -1.460) 7.308 1.022 ( 2.384 0.740 -3.329) 4.161 1.132 ( 7.831 -3.369 5.378) 10.080 1.294 ( 1.408 -0.967 3.995) 4.345 1.333 ( 8.256 -3.394 -0.858) 8.968 1.469 ( 4.197 -1.341 1.731) 4.734 1.530 ( 4.928 -4.946 -1.439) 7.129 1.565 ( -1.257 2.382 -0.900) 2.840 1.681 ( 4.755 -5.099 1.327) 7.097 1.833 ( 3.668 -1.378 -2.228) 4.507 1.910 ( 3.535 -1.372 -0.430) 3.817 1.950 ( -8.814 -1.734 -0.214) 8.986 2.130 ( 0.112 -1.127 2.948) 3.158 2.196 ( -6.370 1.669 -2.831) 7.168 2.284 ( -7.838 -6.745 2.724) 10.693 2.356 ( -4.836 -2.361 -5.778) 7.896 2.480 ( -3.186 0.349 -0.945) 3.342 2.723 ( -2.580 -4.893 -0.322) 5.542 2.803 ( 6.099 3.112 -1.601) 7.031 2.911 ( 3.957 2.077 0.569) 4.505 2.954 ( 1.458 2.090 0.910) 2.706 3.044 ( 6.679 4.795 1.971) 8.455 3.149 ( 1.480 0.290 4.052) 4.323 3.186 ( -3.741 3.191 -0.634) 4.958 3.343 ( -4.251 1.317 -2.566) 5.137 3.399 ( 1.591 3.471 4.359) 5.795 3.523 ( -4.740 2.063 -3.057) 6.005 3.580 ( -3.468 2.269 -2.146) 4.668 3.695 ( 0.396 -1.456 2.754) 3.140 3.900 ( 3.253 1.448 -1.854) 4.015 3.955 ( 0.002 -0.058 1.216) 1.217 4.059 ( -7.146 1.966 -2.776) 7.914 4.308 ( 1.010 -0.850 -2.771) 3.069 4.342 ( -0.583 -2.263 6.653) 7.051 4.606 ( -3.101 -0.269 -2.554) 4.027 4.652 ( -5.475 0.376 1.374) 5.657 4.746 ( 1.436 -1.100 -0.183) 1.818 4.866 ( -0.498 -0.375 -2.101) 2.191 4.935 ( -1.691 -2.185 0.029) 2.763 5.022 ( -3.522 -3.121 -2.380) 5.273 5.318 ( -2.172 0.272 2.696) 3.473 5.413 ( 0.481 -1.266 -5.209) 5.382 5.468 ( -1.782 -3.369 4.663) 6.023 5.538 ( -1.045 -0.678 4.249) 4.427 5.888 ( 4.608 0.541 -1.198) 4.792 5.938 ( 1.993 0.070 4.593) 5.007 6.142 ( 2.785 1.853 -4.960) 5.982 6.160 ( 0.745 1.629 -1.256) 2.188 6.207 ( -6.508 1.181 2.330) 7.012 6.239 ( -0.825 4.710 1.065) 4.899 6.714 ( 4.085 -0.124 -4.032) 5.741 6.895 ( -6.949 5.389 4.367) 9.818 7.051 ( 0.411 -2.685 2.138) 3.457 7.182 ( -1.082 -0.833 -2.831) 3.143 7.683 ( 5.021 0.016 -0.721) 5.072 7.854 ( -1.497 -3.264 0.678) 3.654 8.476 ( 1.806 5.227 -0.764) 5.582 8.667 ( -1.808 2.227 0.829) 2.986 9.005 ( -0.080 5.273 6.672) 8.505 9.115 ( 4.186 1.531 -10.231) 11.160 9.782 ( 1.582 -3.702 -2.699) 4.846 9.840 ( -2.036 -4.200 3.050) 5.576 10.262 ( 3.052 8.015 -2.888) 9.049 10.408 ( -3.513 6.090 3.397) 7.808 10.780 ( -2.737 -2.864 4.599) 6.070 10.847 ( -1.900 -1.078 -4.132) 4.674 11.514 ( 4.675 5.628 3.171) 7.974 11.850 ( -3.311 3.173 -3.767) 5.935 12.185 ( -1.813 3.416 -1.317) 4.085 12.530 ( -10.174 1.973 -0.613) 10.382 13.406 ( 8.208 1.274 1.786) 8.496 13.756 ( -3.006 -4.311 0.323) 5.266 ======================= Grid point 288 (130/138) ======================= q-point: ( 0.55 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 4.250 -3.325 -1.597) 5.627 1.022 ( 2.107 0.215 0.326) 2.143 1.192 ( 5.981 -0.039 2.196) 6.372 1.343 ( -1.865 -2.128 2.836) 4.006 1.436 ( 5.283 0.337 2.504) 5.856 1.499 ( 3.080 0.814 -3.175) 4.498 1.588 ( 3.369 -4.010 2.137) 5.657 1.656 ( 1.234 -5.951 0.317) 6.086 1.825 ( 2.698 -5.921 2.925) 7.134 1.852 ( 0.924 -0.020 -3.054) 3.191 1.927 ( -2.007 -0.159 1.856) 2.739 1.988 ( 5.674 -3.852 -3.482) 7.691 2.100 ( -4.754 1.309 0.021) 4.931 2.175 ( -3.989 -3.126 -6.317) 8.099 2.312 ( -6.577 -0.676 -3.870) 7.661 2.375 ( -6.417 -4.254 0.595) 7.722 2.490 ( 6.248 -1.005 2.548) 6.822 2.716 ( -2.415 3.065 0.434) 3.926 2.798 ( 2.104 0.940 -3.094) 3.857 2.898 ( -2.548 -0.262 3.717) 4.514 2.950 ( 4.044 0.410 1.617) 4.375 3.008 ( 6.750 4.311 -0.769) 8.046 3.118 ( -2.685 1.106 1.173) 3.132 3.156 ( -0.766 0.207 4.277) 4.351 3.291 ( -4.058 0.919 -2.393) 4.800 3.322 ( -3.940 4.124 -0.504) 5.726 3.462 ( 0.549 0.637 1.257) 1.512 3.537 ( -0.426 1.888 0.978) 2.169 3.704 ( -0.947 0.821 3.394) 3.618 3.865 ( -3.776 1.635 -8.460) 9.408 3.974 ( 2.354 -1.057 1.559) 3.015 4.018 ( -1.299 -1.261 -1.015) 2.076 4.326 ( 2.381 -1.149 -1.473) 3.026 4.397 ( -1.773 -2.295 2.786) 4.021 4.586 ( -1.735 0.567 -2.373) 2.994 4.618 ( -2.731 0.162 0.802) 2.851 4.786 ( 4.673 1.013 0.594) 4.818 4.861 ( -0.398 0.310 -0.757) 0.910 4.977 ( 1.615 -2.214 -0.467) 2.780 5.041 ( -3.234 -2.770 -1.299) 4.452 5.309 ( -1.302 0.064 4.973) 5.141 5.402 ( -3.029 -0.107 -3.145) 4.368 5.519 ( 2.528 -1.792 1.248) 3.341 5.570 ( -1.850 -2.802 0.776) 3.446 5.939 ( 2.479 1.063 4.408) 5.168 5.947 ( 4.030 -0.276 -1.394) 4.273 6.086 ( -2.233 3.036 -1.126) 3.934 6.130 ( 3.856 2.025 -2.083) 4.828 6.172 ( -2.837 0.143 2.745) 3.950 6.190 ( -3.929 -1.888 -1.345) 4.562 6.684 ( 1.319 3.641 -2.150) 4.430 6.766 ( -5.054 4.666 1.545) 7.050 7.118 ( 1.091 -2.749 3.306) 4.436 7.180 ( 0.009 0.087 -3.280) 3.281 7.725 ( 5.399 -0.497 0.642) 5.460 7.879 ( -3.777 -1.687 -0.758) 4.205 8.413 ( 5.400 4.044 -1.364) 6.883 8.583 ( -3.838 4.884 1.202) 6.327 8.954 ( 3.187 2.891 4.062) 5.917 9.089 ( -0.981 0.536 -6.162) 6.262 9.840 ( 4.971 -1.648 -6.862) 8.632 9.907 ( -3.371 -2.951 8.295) 9.427 10.139 ( 3.686 7.354 -0.272) 8.231 10.261 ( -3.535 7.813 1.466) 8.700 10.828 ( 0.456 -1.259 -3.505) 3.752 10.862 ( -4.631 -3.644 3.894) 7.063 11.438 ( 8.479 6.615 0.180) 10.756 11.727 ( -9.022 4.502 -2.605) 10.414 12.122 ( 3.806 2.833 0.546) 4.776 12.393 ( -11.979 3.105 -3.132) 12.765 13.486 ( 10.322 -0.769 8.371) 13.312 13.790 ( -4.976 -2.998 -4.948) 7.631 ======================= Grid point 289 (131/138) ======================= q-point: ( 0.64 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 3.573 -0.144 -0.798) 3.664 1.055 ( -1.149 -1.536 0.705) 2.044 1.266 ( 8.001 -1.616 1.634) 8.325 1.345 ( -2.644 0.425 1.987) 3.335 1.429 ( 1.947 3.355 4.222) 5.733 1.476 ( -1.129 1.331 -5.593) 5.859 1.687 ( 5.162 -2.194 2.227) 6.035 1.755 ( -2.477 -4.273 -1.222) 5.088 1.843 ( 2.961 0.129 1.246) 3.215 1.914 ( -2.503 0.361 1.954) 3.196 1.947 ( 1.260 -2.700 1.161) 3.198 2.006 ( -3.945 2.953 -5.950) 7.726 2.133 ( 7.931 -4.671 -2.548) 9.551 2.196 ( -4.321 -1.879 0.828) 4.784 2.269 ( 2.103 0.032 -5.883) 6.248 2.378 ( -11.611 -3.678 2.719) 12.479 2.591 ( 7.266 -2.644 4.669) 9.032 2.669 ( 2.322 0.586 -2.480) 3.447 2.772 ( 1.404 1.605 -2.980) 3.664 2.858 ( -8.711 1.652 0.740) 8.897 2.983 ( 3.252 0.826 1.677) 3.751 2.993 ( 3.755 0.341 1.076) 3.921 3.109 ( 0.146 -0.144 2.226) 2.236 3.156 ( -3.208 -0.734 1.390) 3.572 3.243 ( -2.364 0.545 0.508) 2.479 3.257 ( -1.985 -0.175 -3.316) 3.869 3.482 ( 3.106 -0.138 1.309) 3.373 3.507 ( -0.238 1.410 3.581) 3.856 3.691 ( 0.132 0.327 3.909) 3.925 3.776 ( -5.388 1.427 -9.545) 11.053 4.016 ( 1.988 -0.933 1.720) 2.790 4.043 ( -0.963 -1.680 -1.291) 2.327 4.363 ( 4.012 1.128 -1.389) 4.394 4.397 ( -1.441 1.296 1.370) 2.374 4.559 ( 1.394 0.386 1.163) 1.856 4.620 ( -4.657 -3.027 -2.119) 5.945 4.744 ( 5.184 6.267 0.055) 8.133 4.809 ( -3.567 4.078 -0.371) 5.430 5.050 ( 3.282 -3.513 2.958) 5.645 5.100 ( -1.190 -5.229 -3.081) 6.185 5.325 ( 0.232 -1.083 3.369) 3.547 5.370 ( -3.515 0.232 -2.480) 4.308 5.586 ( 2.654 -3.238 -0.589) 4.228 5.616 ( -2.337 -3.705 0.869) 4.465 5.875 ( 1.135 5.326 3.111) 6.272 5.908 ( -1.223 5.105 -2.645) 5.878 6.105 ( 4.164 0.018 1.724) 4.507 6.140 ( -0.010 0.182 -1.222) 1.236 6.162 ( 2.276 -2.407 2.090) 3.917 6.225 ( -4.945 -4.403 -1.086) 6.710 6.629 ( 1.761 1.986 -2.353) 3.547 6.666 ( -4.395 2.186 1.228) 5.060 7.164 ( 0.751 -0.601 -0.741) 1.214 7.165 ( 0.220 0.731 0.743) 1.065 7.780 ( 5.619 -0.802 1.476) 5.864 7.866 ( -5.083 -0.849 -1.666) 5.416 8.385 ( 6.150 3.675 -2.101) 7.467 8.457 ( -4.676 5.316 2.405) 7.478 8.948 ( 6.634 2.469 1.365) 7.209 9.045 ( -5.431 0.918 -2.114) 5.900 9.882 ( 4.900 0.012 -4.385) 6.575 9.923 ( -3.393 0.412 5.477) 6.456 10.054 ( 1.469 3.633 0.939) 4.029 10.097 ( -3.258 5.988 -1.092) 6.903 10.825 ( 1.513 2.063 0.970) 2.736 10.865 ( -3.475 1.364 -1.245) 3.935 11.442 ( 9.572 -0.162 4.486) 10.572 11.602 ( -9.498 -0.653 -5.375) 10.933 12.127 ( 5.639 1.298 1.392) 5.951 12.246 ( -9.304 3.348 -2.929) 10.313 13.601 ( 9.708 -1.029 12.486) 15.849 13.773 ( -6.612 -1.606 -10.253) 12.306 ======================= Grid point 290 (132/138) ======================= q-point: (-0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -1.447 -0.939 -0.952) 1.971 1.056 ( 1.447 -0.939 0.952) 1.971 1.314 ( 0.646 2.305 -7.211) 7.597 1.314 ( -0.646 2.305 7.211) 7.597 1.408 ( -6.185 1.037 -7.391) 9.693 1.408 ( 6.185 1.037 7.391) 9.693 1.754 ( -0.416 -0.049 -3.632) 3.656 1.754 ( 0.416 -0.049 3.632) 3.656 1.881 ( -3.851 4.444 -4.576) 7.451 1.881 ( 3.851 4.444 4.576) 7.451 1.918 ( -4.052 0.491 -6.226) 7.445 1.918 ( 4.052 0.491 6.226) 7.445 2.195 ( 0.534 -0.289 -4.029) 4.074 2.195 ( -0.534 -0.289 4.029) 4.074 2.394 ( -9.675 -6.391 0.104) 11.596 2.394 ( 9.675 -6.391 -0.104) 11.596 2.692 ( -0.423 -2.325 -2.970) 3.795 2.692 ( 0.423 -2.325 2.970) 3.795 2.764 ( -2.869 0.641 -4.674) 5.521 2.764 ( 2.869 0.641 4.674) 5.521 3.000 ( 2.320 -0.119 -5.569) 6.034 3.000 ( -2.320 -0.119 5.569) 6.034 3.121 ( -1.811 1.076 -5.914) 6.278 3.121 ( 1.811 1.076 5.914) 6.278 3.258 ( 0.201 -1.130 -6.240) 6.344 3.258 ( -0.201 -1.130 6.240) 6.344 3.500 ( 0.299 -0.086 -5.503) 5.512 3.500 ( -0.299 -0.086 5.503) 5.512 3.727 ( -1.969 -2.080 -4.061) 4.969 3.727 ( 1.969 -2.080 4.061) 4.969 4.043 ( -1.662 0.074 -1.998) 2.600 4.043 ( 1.662 0.074 1.998) 2.600 4.321 ( -3.972 4.698 -0.373) 6.163 4.321 ( 3.972 4.698 0.373) 6.163 4.607 ( -3.703 1.754 -0.197) 4.101 4.607 ( 3.703 1.754 0.197) 4.102 4.711 ( -4.276 -0.945 -4.528) 6.299 4.711 ( 4.276 -0.945 4.528) 6.299 5.140 ( -4.385 -0.937 -4.642) 6.454 5.140 ( 4.385 -0.937 4.642) 6.454 5.365 ( 0.443 -2.642 -3.807) 4.656 5.365 ( -0.443 -2.642 3.807) 4.656 5.665 ( -0.453 -2.784 -2.216) 3.587 5.665 ( 0.453 -2.784 2.216) 3.587 5.811 ( 0.310 2.770 -4.095) 4.953 5.811 ( -0.310 2.770 4.095) 4.953 6.094 ( 1.684 3.022 -3.118) 4.657 6.094 ( -1.684 3.022 3.118) 4.657 6.254 ( -0.346 -2.344 -1.995) 3.097 6.254 ( 0.346 -2.344 1.995) 3.097 6.649 ( 3.454 -2.737 -6.467) 7.826 6.649 ( -3.454 -2.737 6.467) 7.826 7.154 ( 3.678 1.114 -7.979) 8.857 7.154 ( -3.678 1.114 7.979) 8.857 7.839 ( -4.887 -0.863 -1.831) 5.289 7.839 ( 4.887 -0.863 1.831) 5.289 8.342 ( 4.898 4.221 -3.273) 7.247 8.342 ( -4.898 4.221 3.273) 7.247 8.965 ( -1.826 1.740 -5.907) 6.423 8.965 ( 1.826 1.740 5.907) 6.423 9.873 ( 1.761 2.655 -8.407) 8.991 9.873 ( -1.761 2.655 8.407) 8.991 10.033 ( 2.255 -0.142 -5.220) 5.688 10.033 ( -2.255 -0.142 5.220) 5.688 10.786 ( -1.267 3.278 -3.177) 4.738 10.786 ( 1.267 3.278 3.177) 4.738 11.586 ( -7.988 -5.375 -11.291) 14.839 11.586 ( 7.988 -5.375 11.291) 14.839 12.143 ( 0.267 1.322 -6.406) 6.547 12.143 ( -0.267 1.322 6.406) 6.547 13.712 ( -5.308 -0.742 -17.430) 18.236 13.712 ( 5.308 -0.742 17.430) 18.236 ======================= Grid point 298 (133/138) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 11.379 0.000 4.093) 12.093 0.927 ( 12.121 0.000 -0.663) 12.139 1.037 ( 2.534 0.000 -2.923) 3.868 1.292 ( 2.382 0.000 4.320) 4.933 1.334 ( 7.748 0.000 4.857) 9.145 1.421 ( 1.620 0.000 -1.931) 2.521 1.485 ( 7.669 0.000 -3.385) 8.383 1.579 ( 5.681 0.000 -2.338) 6.144 1.670 ( 1.759 0.000 -3.076) 3.543 1.788 ( -2.345 -0.000 2.454) 3.395 1.845 ( 3.828 0.000 -9.127) 9.897 1.975 ( -2.316 -0.000 1.486) 2.752 1.976 ( -9.453 -0.000 13.237) 16.266 2.218 ( -3.889 -0.000 -0.851) 3.981 2.238 ( -8.320 -0.000 -1.374) 8.433 2.296 ( -9.158 -0.000 3.526) 9.814 2.482 ( -4.165 -0.000 -2.610) 4.915 2.581 ( -1.056 -0.000 -4.877) 4.990 2.876 ( 5.599 0.000 -4.045) 6.907 2.954 ( 1.828 0.000 2.232) 2.885 3.014 ( 5.330 0.000 -1.926) 5.668 3.097 ( 12.366 0.000 4.416) 13.131 3.204 ( 5.354 0.000 -0.797) 5.413 3.280 ( -4.766 -0.000 1.347) 4.953 3.405 ( -7.573 -0.000 4.278) 8.698 3.461 ( 3.492 0.000 -8.554) 9.239 3.504 ( -2.498 -0.000 4.332) 5.001 3.647 ( 3.632 0.000 1.595) 3.967 3.663 ( -6.923 -0.000 -3.810) 7.902 3.950 ( 1.755 0.000 -0.439) 1.809 3.955 ( -0.338 -0.000 4.178) 4.192 4.127 ( -10.209 -0.000 -1.303) 10.292 4.288 ( 0.524 0.000 -4.018) 4.052 4.316 ( -3.892 -0.000 9.351) 10.129 4.605 ( -8.809 -0.000 -2.061) 9.047 4.678 ( -3.806 -0.000 -1.443) 4.071 4.771 ( -5.197 -0.000 -0.600) 5.231 4.775 ( -3.740 -0.000 -0.185) 3.745 4.880 ( -2.157 -0.000 0.101) 2.160 4.941 ( -1.225 -0.000 -3.316) 3.535 5.324 ( -3.862 -0.000 1.670) 4.208 5.340 ( 2.073 0.000 -4.223) 4.705 5.356 ( 0.773 0.000 -4.100) 4.172 5.488 ( -4.485 -0.000 3.108) 5.457 5.937 ( 0.979 0.000 3.756) 3.881 5.955 ( 5.236 0.000 8.890) 10.318 6.232 ( 4.434 0.000 -0.839) 4.513 6.234 ( 1.251 0.000 0.145) 1.259 6.260 ( -6.427 -0.000 3.556) 7.345 6.362 ( -1.590 -0.000 -2.380) 2.863 6.614 ( 7.993 0.000 -1.694) 8.171 6.967 ( -4.631 -0.000 -3.206) 5.632 7.035 ( -4.580 -0.000 3.340) 5.668 7.161 ( -1.273 -0.000 -4.098) 4.291 7.704 ( 4.648 0.000 -2.358) 5.212 7.746 ( 0.867 0.000 2.977) 3.101 8.600 ( -2.664 -0.000 4.863) 5.545 8.675 ( -5.040 -0.000 -0.536) 5.069 9.194 ( 9.655 0.000 -12.100) 15.480 9.200 ( 2.587 0.000 7.761) 8.181 9.623 ( -4.941 -0.000 11.617) 12.624 9.727 ( -1.220 -0.000 -11.058) 11.126 10.413 ( -5.214 -0.000 -2.738) 5.889 10.507 ( -8.732 -0.000 1.275) 8.825 10.824 ( -2.173 -0.000 7.002) 7.331 10.848 ( 1.617 0.000 -5.775) 5.997 11.555 ( 1.691 0.000 8.475) 8.642 11.855 ( -5.431 -0.000 -19.442) 20.187 12.280 ( 6.828 0.000 6.124) 9.172 12.568 ( -0.422 -0.000 1.840) 1.888 13.487 ( 1.022 0.000 -5.165) 5.265 13.620 ( 0.611 0.000 5.458) 5.492 ======================= Grid point 299 (134/138) ======================= q-point: ( 0.45 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 8.777 0.988 1.484) 8.956 1.041 ( 1.223 0.259 -1.563) 2.001 1.108 ( 11.885 -6.057 2.788) 13.628 1.314 ( 1.631 0.084 5.657) 5.888 1.356 ( -0.211 1.958 -2.422) 3.121 1.448 ( 2.113 -4.069 1.252) 4.753 1.527 ( 6.422 0.318 -2.055) 6.750 1.612 ( 2.339 2.558 -5.511) 6.511 1.667 ( 5.381 -0.949 5.295) 7.609 1.790 ( -2.458 -3.086 -1.507) 4.223 1.854 ( 1.590 -0.183 -6.482) 6.676 1.944 ( -2.828 -0.540 7.684) 8.205 2.056 ( -3.893 -6.159 2.054) 7.571 2.134 ( -5.688 1.773 -1.645) 6.180 2.220 ( -4.007 -0.631 -2.444) 4.736 2.257 ( -6.240 -2.100 -0.082) 6.585 2.462 ( -0.845 -0.569 2.848) 3.025 2.602 ( -2.642 -4.206 -5.999) 7.789 2.885 ( 5.430 1.825 -4.252) 7.134 2.956 ( -1.120 0.915 3.464) 3.754 3.031 ( 5.869 2.288 0.532) 6.322 3.180 ( 8.875 2.804 1.979) 9.516 3.204 ( 2.098 2.700 1.679) 3.809 3.224 ( -0.623 2.326 1.143) 2.665 3.331 ( -5.156 1.804 -1.300) 5.615 3.475 ( 0.462 1.782 3.632) 4.072 3.497 ( -1.505 -0.848 -3.671) 4.057 3.571 ( -7.648 1.855 -3.836) 8.755 3.698 ( 4.769 -0.620 3.551) 5.979 3.941 ( -1.024 2.057 -0.320) 2.320 3.962 ( 1.130 -0.048 -0.250) 1.159 4.028 ( -9.498 1.076 -1.200) 9.633 4.288 ( 1.225 -0.714 -2.444) 2.826 4.320 ( -2.421 -0.872 5.684) 6.240 4.558 ( -3.402 -0.523 -2.045) 4.004 4.621 ( -5.782 0.593 -0.500) 5.834 4.742 ( 0.767 -0.710 2.403) 2.621 4.814 ( -2.462 -3.339 -2.881) 5.051 4.879 ( -1.658 -1.740 1.376) 2.769 4.941 ( -2.821 -2.222 -2.752) 4.524 5.315 ( -0.445 -0.006 0.352) 0.567 5.366 ( -2.598 -2.186 -0.910) 3.515 5.393 ( 3.581 -3.674 -3.504) 6.212 5.496 ( -4.245 -3.023 3.236) 6.134 5.943 ( 3.697 1.471 2.693) 4.804 5.998 ( 4.343 1.050 5.735) 7.270 6.166 ( -6.567 4.097 3.915) 8.674 6.190 ( 0.777 3.840 -5.953) 7.126 6.253 ( 2.753 1.507 -0.377) 3.161 6.308 ( -2.226 3.262 1.193) 4.125 6.716 ( 7.411 -3.121 -2.766) 8.504 6.916 ( -8.343 0.977 1.401) 8.516 7.030 ( 2.079 -0.547 2.305) 3.152 7.144 ( -2.331 -0.662 -3.827) 4.529 7.720 ( 4.300 0.369 -0.928) 4.415 7.789 ( -0.864 -2.651 1.269) 3.064 8.562 ( -0.054 2.905 2.303) 3.707 8.653 ( -4.274 -0.677 -1.050) 4.453 9.146 ( 1.023 7.211 7.198) 10.240 9.181 ( 4.916 4.235 -9.365) 11.393 9.690 ( -1.836 -5.955 7.811) 9.992 9.745 ( -0.290 -4.521 -8.104) 9.284 10.359 ( -0.162 2.045 -3.079) 3.700 10.447 ( -6.895 1.132 2.403) 7.389 10.789 ( -1.482 3.146 7.962) 8.688 10.829 ( 1.107 1.283 -7.110) 7.309 11.599 ( 2.807 -0.235 8.622) 9.071 11.812 ( -5.277 -1.972 -13.613) 14.733 12.282 ( 6.392 5.294 4.912) 9.644 12.526 ( -6.236 3.281 -1.168) 7.142 13.482 ( 6.411 0.915 -0.946) 6.545 13.660 ( -3.753 -3.338 1.565) 5.261 ======================= Grid point 300 (135/138) ======================= q-point: ( 0.55 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 5.624 -1.170 0.897) 5.814 1.025 ( -1.093 0.306 -2.303) 2.568 1.241 ( 4.838 -0.377 1.604) 5.111 1.290 ( -2.860 -0.930 2.850) 4.144 1.451 ( 7.184 -5.626 2.588) 9.485 1.538 ( 3.749 -1.069 0.136) 3.901 1.547 ( -1.938 -3.537 -3.693) 5.468 1.566 ( 0.675 1.546 0.374) 1.728 1.759 ( 2.842 -3.552 4.616) 6.481 1.819 ( -4.331 -1.898 -3.648) 5.972 1.893 ( 6.767 -2.718 -1.931) 7.544 1.967 ( -1.191 -1.953 2.366) 3.291 2.072 ( -4.690 0.099 0.027) 4.691 2.086 ( -4.885 -1.906 -3.856) 6.509 2.250 ( -2.579 -2.145 4.514) 5.624 2.266 ( -1.434 -3.866 -7.061) 8.177 2.515 ( 5.581 -2.061 5.680) 8.225 2.637 ( -6.798 -3.835 -4.633) 9.076 2.873 ( 5.441 2.687 -4.258) 7.413 2.916 ( -3.520 2.414 5.171) 6.705 3.022 ( 5.835 2.831 0.794) 6.533 3.102 ( -3.639 3.698 -2.079) 5.589 3.175 ( 4.837 3.242 0.995) 5.908 3.206 ( 2.300 4.014 5.962) 7.547 3.278 ( -0.634 1.124 -2.807) 3.089 3.374 ( -7.974 5.600 -2.327) 10.018 3.486 ( 2.651 0.090 1.662) 3.130 3.535 ( -2.613 -0.375 -1.203) 2.901 3.741 ( 3.872 0.765 5.540) 6.802 3.851 ( -6.191 2.419 -7.136) 9.752 3.975 ( 1.497 -0.489 0.716) 1.730 3.992 ( -1.319 -0.537 0.204) 1.438 4.313 ( 2.342 -1.320 -3.138) 4.132 4.340 ( -2.966 -2.091 4.105) 5.479 4.563 ( 0.186 -1.292 -1.844) 2.259 4.591 ( -3.908 -0.723 0.790) 4.052 4.797 ( 2.800 -2.416 3.496) 5.089 4.840 ( -1.145 -1.927 -3.423) 4.091 4.932 ( 0.934 -3.343 0.624) 3.527 4.965 ( -2.826 -2.840 -1.448) 4.260 5.318 ( 0.965 0.019 2.002) 2.223 5.364 ( -3.645 -0.657 -2.036) 4.226 5.493 ( 3.371 -3.596 -1.846) 5.264 5.528 ( -2.911 -2.008 3.505) 4.979 5.964 ( 6.447 -0.004 -0.292) 6.454 6.009 ( 3.756 2.013 4.870) 6.471 6.075 ( -8.052 0.027 2.367) 8.393 6.100 ( -2.749 2.800 -7.653) 8.600 6.220 ( 2.429 3.702 0.083) 4.428 6.240 ( -0.808 3.410 1.486) 3.806 6.761 ( 4.700 2.383 -2.884) 6.007 6.822 ( -5.594 4.016 2.941) 7.488 7.088 ( 2.716 -2.613 2.908) 4.761 7.142 ( -2.484 -1.874 -3.269) 4.514 7.754 ( 4.837 -0.620 0.138) 4.879 7.817 ( -3.635 -1.857 -0.099) 4.083 8.523 ( 4.938 3.376 0.353) 5.992 8.607 ( -5.722 1.891 -0.678) 6.064 9.050 ( 1.347 4.835 7.952) 9.403 9.101 ( 0.182 3.358 -8.868) 9.485 9.801 ( 2.365 -4.552 -2.037) 5.519 9.824 ( -1.995 -4.930 2.083) 5.711 10.305 ( 4.157 5.670 -1.561) 7.202 10.361 ( -4.602 4.915 2.200) 7.084 10.773 ( -1.012 -1.469 5.490) 5.772 10.801 ( -1.096 -0.667 -5.560) 5.706 11.616 ( 6.739 4.228 4.735) 9.258 11.742 ( -7.248 3.019 -5.670) 9.686 12.234 ( 6.648 5.124 3.175) 8.974 12.372 ( -9.834 4.903 -3.518) 11.538 13.550 ( 9.090 -1.418 3.972) 10.021 13.682 ( -6.583 -3.040 -2.785) 7.768 ======================= Grid point 301 (136/138) ======================= q-point: ( 0.64 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.091 -1.412 -0.886) 1.669 1.022 ( -0.091 -1.412 0.886) 1.669 1.291 ( -5.527 -1.464 0.126) 5.719 1.291 ( 5.527 -1.464 -0.126) 5.719 1.506 ( 0.628 2.591 -6.852) 7.352 1.506 ( -0.628 2.591 6.852) 7.352 1.640 ( -1.933 -5.918 -3.072) 6.943 1.640 ( 1.933 -5.918 3.072) 6.943 1.839 ( 0.068 -2.911 -1.563) 3.305 1.839 ( -0.068 -2.911 1.563) 3.305 1.974 ( -4.676 -0.843 -3.698) 6.021 1.974 ( 4.676 -0.843 3.698) 6.021 2.100 ( 0.521 -3.568 -1.530) 3.917 2.100 ( -0.521 -3.568 1.530) 3.917 2.286 ( 1.971 -1.005 -3.142) 3.843 2.286 ( -1.971 -1.005 3.142) 3.843 2.620 ( -7.846 -1.682 -3.614) 8.801 2.620 ( 7.846 -1.682 3.614) 8.801 2.848 ( 4.919 2.662 -3.629) 6.667 2.848 ( -4.919 2.662 3.629) 6.667 3.023 ( -2.936 1.502 -3.303) 4.667 3.023 ( 2.936 1.502 3.303) 4.667 3.149 ( 0.435 2.531 -3.805) 4.591 3.149 ( -0.435 2.531 3.805) 4.591 3.251 ( -0.738 1.733 -0.370) 1.920 3.251 ( 0.738 1.733 0.370) 1.920 3.511 ( -1.236 0.328 -3.103) 3.356 3.511 ( 1.236 0.328 3.103) 3.356 3.754 ( -3.355 2.137 -9.338) 10.150 3.754 ( 3.355 2.137 9.338) 10.150 4.005 ( -0.351 -1.423 -1.519) 2.110 4.005 ( 0.351 -1.423 1.519) 2.110 4.365 ( 1.278 -2.323 -2.832) 3.879 4.365 ( -1.278 -2.323 2.832) 3.879 4.579 ( -0.406 0.190 -0.825) 0.939 4.579 ( 0.406 0.190 0.825) 0.939 4.845 ( -0.699 0.886 -2.401) 2.653 4.845 ( 0.699 0.886 2.401) 2.653 5.001 ( -0.818 -3.345 -1.533) 3.769 5.001 ( 0.818 -3.345 1.533) 3.769 5.339 ( -2.162 -0.100 -4.129) 4.662 5.339 ( 2.162 -0.100 4.129) 4.662 5.551 ( 0.519 -1.995 -1.131) 2.351 5.551 ( -0.519 -1.995 1.131) 2.351 5.984 ( -0.043 3.922 -4.534) 5.995 5.984 ( 0.043 3.922 4.534) 5.995 6.079 ( 1.655 -4.493 -7.386) 8.802 6.079 ( -1.655 -4.493 7.386) 8.802 6.175 ( 1.458 2.339 -2.932) 4.024 6.175 ( -1.458 2.339 2.932) 4.024 6.711 ( 1.353 4.643 -4.702) 6.745 6.711 ( -1.353 4.643 4.702) 6.745 7.153 ( -0.804 -1.494 -4.304) 4.626 7.153 ( 0.804 -1.494 4.304) 4.626 7.808 ( -4.858 -0.958 -1.501) 5.174 7.808 ( 4.858 -0.958 1.501) 5.174 8.502 ( -6.514 3.958 0.459) 7.636 8.502 ( 6.514 3.958 -0.459) 7.636 9.027 ( -1.844 1.730 -7.748) 8.150 9.027 ( 1.844 1.730 7.748) 8.150 9.882 ( 4.958 -2.559 -11.071) 12.397 9.882 ( -4.958 -2.559 11.071) 12.397 10.202 ( 3.279 8.078 -12.850) 15.529 10.202 ( -3.279 8.078 12.850) 15.529 10.829 ( 2.265 -2.717 -3.769) 5.169 10.829 ( -2.265 -2.717 3.769) 5.169 11.577 ( -3.491 5.798 -8.167) 10.607 11.577 ( 3.491 5.798 8.167) 10.607 12.225 ( -6.033 2.824 -5.611) 8.709 12.225 ( 6.033 2.824 5.611) 8.709 13.663 ( -5.554 -2.048 -11.194) 12.662 13.663 ( 5.554 -2.048 11.194) 12.662 ======================= Grid point 311 (137/138) ======================= q-point: ( 0.45 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 6.141 0.000 3.146) 6.900 1.041 ( 1.367 0.000 0.608) 1.496 1.141 ( 13.475 0.000 0.400) 13.481 1.330 ( -10.026 -0.000 1.190) 10.096 1.349 ( 2.476 0.000 -0.166) 2.482 1.404 ( -0.626 -0.000 -1.246) 1.394 1.577 ( 6.398 0.000 -0.890) 6.460 1.638 ( -1.486 -0.000 -4.681) 4.911 1.705 ( 7.456 0.000 3.544) 8.255 1.767 ( -2.267 -0.000 2.378) 3.286 1.850 ( 5.133 0.000 -11.786) 12.856 1.902 ( -8.273 -0.000 9.811) 12.833 2.007 ( 2.141 0.000 7.658) 7.952 2.112 ( -6.682 -0.000 -9.167) 11.344 2.160 ( 1.281 0.000 -6.180) 6.311 2.206 ( -7.879 -0.000 8.166) 11.348 2.467 ( 1.013 0.000 6.589) 6.666 2.529 ( -1.472 -0.000 -9.074) 9.193 2.927 ( 4.849 0.000 -6.139) 7.823 2.958 ( -2.978 -0.000 5.400) 6.166 3.102 ( 6.643 0.000 0.990) 6.716 3.201 ( -6.233 -0.000 -0.490) 6.253 3.260 ( 3.523 0.000 -0.793) 3.611 3.307 ( 9.744 0.000 -0.674) 9.768 3.319 ( -2.374 -0.000 6.103) 6.549 3.468 ( -0.221 -0.000 -6.331) 6.335 3.497 ( -2.532 -0.000 6.822) 7.276 3.518 ( -7.164 -0.000 -5.307) 8.915 3.757 ( 9.810 0.000 2.203) 10.055 3.938 ( -13.235 -0.000 -2.475) 13.464 3.966 ( 1.280 0.000 -1.769) 2.183 3.969 ( -0.495 -0.000 3.018) 3.058 4.289 ( 2.367 0.000 -5.141) 5.660 4.303 ( -3.237 -0.000 6.831) 7.559 4.539 ( 0.041 0.000 -0.763) 0.764 4.584 ( -5.792 -0.000 -0.745) 5.839 4.739 ( -0.163 -0.000 1.395) 1.405 4.758 ( -0.630 -0.000 -1.545) 1.669 4.857 ( -0.309 -0.000 1.709) 1.737 4.892 ( -2.948 -0.000 -2.530) 3.885 5.309 ( -0.854 -0.000 5.093) 5.164 5.330 ( 0.440 0.000 -6.414) 6.429 5.378 ( 4.189 0.000 -2.887) 5.087 5.434 ( -4.921 -0.000 2.536) 5.536 5.987 ( 2.819 0.000 5.302) 6.005 6.031 ( 1.176 0.000 -1.573) 1.964 6.206 ( -3.876 -0.000 10.846) 11.518 6.232 ( 0.189 0.000 -6.133) 6.136 6.282 ( 3.177 0.000 -1.250) 3.414 6.321 ( -2.425 -0.000 -1.595) 2.903 6.730 ( 8.591 0.000 -0.751) 8.624 6.851 ( -8.326 -0.000 -0.800) 8.365 7.052 ( 2.439 0.000 3.424) 4.203 7.111 ( -2.824 -0.000 -4.202) 5.063 7.747 ( 2.873 0.000 -2.574) 3.857 7.761 ( -0.809 -0.000 2.917) 3.027 8.592 ( -1.119 -0.000 3.882) 4.040 8.612 ( -2.062 -0.000 -2.818) 3.492 9.252 ( 5.249 0.000 -9.523) 10.874 9.254 ( -0.699 -0.000 8.294) 8.324 9.624 ( -2.039 -0.000 10.898) 11.087 9.663 ( -0.313 -0.000 -10.958) 10.963 10.364 ( 0.153 0.000 -1.589) 1.597 10.402 ( -5.895 -0.000 1.389) 6.056 10.837 ( -0.717 -0.000 5.611) 5.656 10.847 ( 1.392 0.000 -5.168) 5.353 11.627 ( 1.939 0.000 11.579) 11.741 11.720 ( -2.781 -0.000 -15.002) 15.258 12.407 ( 6.939 0.000 5.308) 8.737 12.518 ( -5.472 -0.000 -2.795) 6.144 13.527 ( 5.555 0.000 -1.242) 5.692 13.601 ( -4.633 -0.000 1.400) 4.840 ======================= Grid point 312 (138/138) ======================= q-point: ( 0.55 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -4.217 1.563 -2.118) 4.971 1.018 ( 4.217 1.563 2.118) 4.971 1.258 ( -8.237 -1.148 0.152) 8.318 1.258 ( 8.237 -1.148 -0.152) 8.318 1.409 ( -5.339 -3.562 -4.225) 7.684 1.409 ( 5.339 -3.562 4.225) 7.684 1.596 ( -1.537 1.721 -2.477) 3.385 1.596 ( 1.537 1.721 2.477) 3.385 1.756 ( -2.088 -0.862 -3.339) 4.031 1.756 ( 2.088 -0.862 3.339) 4.031 1.895 ( 4.018 -2.328 -7.058) 8.448 1.895 ( -4.018 -2.328 7.058) 8.448 2.050 ( -1.576 -0.160 -9.369) 9.502 2.050 ( 1.576 -0.160 9.369) 9.502 2.196 ( 4.648 -2.395 -7.877) 9.455 2.196 ( -4.648 -2.395 7.877) 9.455 2.521 ( -3.477 -2.437 -8.346) 9.364 2.521 ( 3.477 -2.437 8.346) 9.364 2.934 ( 4.207 1.228 -5.960) 7.398 2.934 ( -4.207 1.228 5.960) 7.398 3.125 ( -6.131 2.785 -1.165) 6.834 3.125 ( 6.131 2.785 1.165) 6.834 3.259 ( -2.770 2.465 -1.328) 3.938 3.259 ( 2.770 2.465 1.328) 3.938 3.380 ( -10.456 2.922 -4.076) 11.596 3.380 ( 10.456 2.922 4.076) 11.596 3.502 ( 1.256 -0.617 -6.459) 6.609 3.502 ( -1.256 -0.617 6.459) 6.609 3.822 ( -9.123 1.661 -4.424) 10.274 3.822 ( 9.123 1.661 4.424) 10.274 3.976 ( 1.226 -0.475 -2.166) 2.534 3.976 ( -1.226 -0.475 2.166) 2.534 4.303 ( 2.882 -0.801 -4.880) 5.724 4.303 ( -2.882 -0.801 4.880) 5.724 4.553 ( -3.030 -0.476 0.927) 3.204 4.553 ( 3.030 -0.476 -0.927) 3.204 4.773 ( -1.307 -2.440 -3.442) 4.417 4.773 ( 1.307 -2.440 3.442) 4.417 4.891 ( -2.060 -2.329 -2.025) 3.710 4.891 ( 2.060 -2.329 2.025) 3.710 5.328 ( 0.779 -0.620 -5.540) 5.629 5.328 ( -0.779 -0.620 5.540) 5.629 5.442 ( 2.993 -3.776 -3.472) 5.939 5.442 ( -2.993 -3.776 3.472) 5.939 6.016 ( -2.043 0.268 -5.485) 5.859 6.016 ( 2.043 0.268 5.485) 5.859 6.147 ( 0.632 5.750 -12.422) 13.703 6.147 ( -0.632 5.750 12.422) 13.703 6.285 ( 1.914 1.880 -1.696) 3.174 6.285 ( -1.914 1.880 1.696) 3.174 6.811 ( -2.446 -0.988 -0.574) 2.700 6.811 ( 2.446 -0.988 0.574) 2.700 7.084 ( -3.284 -0.748 -3.516) 4.869 7.084 ( 3.284 -0.748 3.516) 4.869 7.767 ( 0.426 -0.922 -1.771) 2.042 7.767 ( -0.426 -0.922 1.771) 2.042 8.592 ( -1.879 0.666 -2.787) 3.427 8.592 ( 1.879 0.666 2.787) 3.427 9.182 ( 2.133 6.470 -9.953) 12.061 9.182 ( -2.133 6.470 9.953) 12.061 9.710 ( 2.648 -5.880 -12.394) 13.972 9.710 ( -2.648 -5.880 12.394) 13.972 10.375 ( 2.509 0.261 -3.508) 4.321 10.375 ( -2.509 0.261 3.508) 4.321 10.810 ( 0.803 2.839 -7.335) 7.906 10.810 ( -0.803 2.839 7.335) 7.906 11.691 ( -2.029 -1.325 -13.448) 13.664 11.691 ( 2.029 -1.325 13.448) 13.664 12.409 ( -7.171 5.640 -4.752) 10.286 12.409 ( 7.171 5.640 4.752) 10.286 13.583 ( -3.957 -1.671 -2.640) 5.042 13.583 ( 3.957 -1.671 2.640) 5.042 =================== 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 3/34848 10.0 17.076 13.484 19.337 0.000 3.422 0.000 3/34848 20.0 4.246 3.184 4.861 0.000 0.655 0.000 3/34848 30.0 2.225 1.588 2.488 0.000 0.320 0.000 3/34848 40.0 1.499 1.031 1.643 0.000 0.206 0.000 3/34848 50.0 1.134 0.761 1.228 0.000 0.150 0.000 3/34848 60.0 0.917 0.605 0.986 0.000 0.117 0.000 3/34848 70.0 0.774 0.505 0.828 0.000 0.095 0.000 3/34848 80.0 0.672 0.435 0.718 0.000 0.080 0.000 3/34848 90.0 0.597 0.384 0.637 0.000 0.068 0.000 3/34848 100.0 0.538 0.345 0.575 0.000 0.060 0.000 3/34848 110.0 0.491 0.314 0.526 0.000 0.053 0.000 3/34848 120.0 0.453 0.289 0.486 0.000 0.047 0.000 3/34848 130.0 0.421 0.268 0.453 0.000 0.043 0.000 3/34848 140.0 0.394 0.250 0.425 0.000 0.039 0.000 3/34848 150.0 0.370 0.235 0.400 0.000 0.036 0.000 3/34848 160.0 0.349 0.222 0.379 0.000 0.033 0.000 3/34848 170.0 0.331 0.210 0.359 0.000 0.031 0.000 3/34848 180.0 0.315 0.199 0.342 0.000 0.029 0.000 3/34848 190.0 0.300 0.190 0.327 0.000 0.028 0.000 3/34848 200.0 0.287 0.181 0.313 0.000 0.026 0.000 3/34848 210.0 0.274 0.174 0.300 0.000 0.025 0.000 3/34848 220.0 0.263 0.166 0.288 0.000 0.024 0.000 3/34848 230.0 0.253 0.160 0.277 0.000 0.023 0.000 3/34848 240.0 0.243 0.154 0.267 0.000 0.022 0.000 3/34848 250.0 0.234 0.148 0.257 0.000 0.021 0.000 3/34848 260.0 0.226 0.143 0.249 0.000 0.020 0.000 3/34848 270.0 0.219 0.138 0.240 0.000 0.019 0.000 3/34848 280.0 0.211 0.134 0.233 0.000 0.019 0.000 3/34848 290.0 0.205 0.129 0.225 0.000 0.018 0.000 3/34848 300.0 0.198 0.125 0.219 0.000 0.017 0.000 3/34848 310.0 0.192 0.122 0.212 0.000 0.017 0.000 3/34848 320.0 0.187 0.118 0.206 0.000 0.016 0.000 3/34848 330.0 0.182 0.115 0.200 0.000 0.016 0.000 3/34848 340.0 0.177 0.111 0.195 0.000 0.015 0.000 3/34848 350.0 0.172 0.108 0.190 0.000 0.015 0.000 3/34848 360.0 0.167 0.106 0.185 0.000 0.015 0.000 3/34848 370.0 0.163 0.103 0.180 0.000 0.014 0.000 3/34848 380.0 0.159 0.100 0.176 0.000 0.014 0.000 3/34848 390.0 0.155 0.098 0.172 0.000 0.013 0.000 3/34848 400.0 0.152 0.096 0.168 0.000 0.013 0.000 3/34848 410.0 0.148 0.093 0.164 0.000 0.013 0.000 3/34848 420.0 0.145 0.091 0.160 0.000 0.013 0.000 3/34848 430.0 0.141 0.089 0.157 0.000 0.012 0.000 3/34848 440.0 0.138 0.087 0.153 0.000 0.012 0.000 3/34848 450.0 0.135 0.085 0.150 0.000 0.012 0.000 3/34848 460.0 0.133 0.084 0.147 0.000 0.011 0.000 3/34848 470.0 0.130 0.082 0.144 0.000 0.011 0.000 3/34848 480.0 0.127 0.080 0.141 0.000 0.011 0.000 3/34848 490.0 0.125 0.079 0.138 0.000 0.011 0.000 3/34848 500.0 0.122 0.077 0.136 0.000 0.011 0.000 3/34848 510.0 0.120 0.076 0.133 0.000 0.010 0.000 3/34848 520.0 0.118 0.074 0.131 0.000 0.010 0.000 3/34848 530.0 0.116 0.073 0.128 0.000 0.010 0.000 3/34848 540.0 0.114 0.072 0.126 0.000 0.010 0.000 3/34848 550.0 0.112 0.070 0.124 0.000 0.010 0.000 3/34848 560.0 0.110 0.069 0.122 0.000 0.009 0.000 3/34848 570.0 0.108 0.068 0.120 0.000 0.009 0.000 3/34848 580.0 0.106 0.067 0.118 0.000 0.009 0.000 3/34848 590.0 0.104 0.066 0.116 0.000 0.009 0.000 3/34848 600.0 0.103 0.065 0.114 0.000 0.009 0.000 3/34848 610.0 0.101 0.064 0.112 0.000 0.009 0.000 3/34848 620.0 0.099 0.063 0.110 0.000 0.009 0.000 3/34848 630.0 0.098 0.062 0.108 0.000 0.008 0.000 3/34848 640.0 0.096 0.061 0.107 0.000 0.008 0.000 3/34848 650.0 0.095 0.060 0.105 0.000 0.008 0.000 3/34848 660.0 0.093 0.059 0.104 0.000 0.008 0.000 3/34848 670.0 0.092 0.058 0.102 0.000 0.008 0.000 3/34848 680.0 0.091 0.057 0.101 0.000 0.008 0.000 3/34848 690.0 0.089 0.056 0.099 0.000 0.008 0.000 3/34848 700.0 0.088 0.056 0.098 0.000 0.008 0.000 3/34848 710.0 0.087 0.055 0.097 0.000 0.007 0.000 3/34848 720.0 0.086 0.054 0.095 0.000 0.007 0.000 3/34848 730.0 0.085 0.053 0.094 0.000 0.007 0.000 3/34848 740.0 0.083 0.053 0.093 0.000 0.007 0.000 3/34848 750.0 0.082 0.052 0.091 0.000 0.007 0.000 3/34848 760.0 0.081 0.051 0.090 0.000 0.007 0.000 3/34848 770.0 0.080 0.051 0.089 0.000 0.007 0.000 3/34848 780.0 0.079 0.050 0.088 0.000 0.007 0.000 3/34848 790.0 0.078 0.049 0.087 0.000 0.007 0.000 3/34848 800.0 0.077 0.049 0.086 0.000 0.007 0.000 3/34848 810.0 0.076 0.048 0.085 0.000 0.007 0.000 3/34848 820.0 0.075 0.048 0.084 0.000 0.006 0.000 3/34848 830.0 0.075 0.047 0.083 0.000 0.006 0.000 3/34848 840.0 0.074 0.046 0.082 0.000 0.006 0.000 3/34848 850.0 0.073 0.046 0.081 0.000 0.006 0.000 3/34848 860.0 0.072 0.045 0.080 0.000 0.006 0.000 3/34848 870.0 0.071 0.045 0.079 0.000 0.006 0.000 3/34848 880.0 0.070 0.044 0.078 0.000 0.006 0.000 3/34848 890.0 0.070 0.044 0.077 0.000 0.006 0.000 3/34848 900.0 0.069 0.043 0.076 0.000 0.006 0.000 3/34848 910.0 0.068 0.043 0.076 0.000 0.006 0.000 3/34848 920.0 0.067 0.042 0.075 0.000 0.006 0.000 3/34848 930.0 0.067 0.042 0.074 0.000 0.006 0.000 3/34848 940.0 0.066 0.042 0.073 0.000 0.006 0.000 3/34848 950.0 0.065 0.041 0.073 0.000 0.006 0.000 3/34848 960.0 0.065 0.041 0.072 0.000 0.006 0.000 3/34848 970.0 0.064 0.040 0.071 0.000 0.005 0.000 3/34848 980.0 0.063 0.040 0.070 0.000 0.005 0.000 3/34848 990.0 0.063 0.039 0.070 0.000 0.005 0.000 3/34848 1000.0 0.062 0.039 0.069 0.000 0.005 0.000 3/34848 Thermal conductivity related properties were written into "kappa-m11114.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:23:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|