----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:07:34]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.762734610314398 0.000000000000000 0.000000000000000 b 0.000000000000000 8.215025949999999 0.000000000000000 c -5.392187016676881 0.000000000000000 8.958602175748153 Atomic positions (fractional): *1 O 0.74354485758993 0.66612864558317 0.38530732915859 15.999 2 O 0.25645514241007 0.16612864558317 0.11469267084141 15.999 3 O 0.25645514241007 0.33387135441683 0.61469267084141 15.999 4 O 0.74354485758993 0.83387135441683 0.88530732915859 15.999 *5 O 0.45600520745491 0.51705405414316 0.19351406329890 15.999 6 O 0.54399479254509 0.01705405414316 0.30648593670109 15.999 7 O 0.54399479254509 0.48294594585684 0.80648593670110 15.999 8 O 0.45600520745491 0.98294594585684 0.69351406329890 15.999 *9 O 0.50447354267102 0.32609562997735 0.49130401858212 15.999 10 O 0.49552645732898 0.82609562997735 0.00869598141788 15.999 11 O 0.49552645732898 0.67390437002265 0.50869598141788 15.999 12 O 0.50447354267102 0.17390437002264 0.99130401858212 15.999 *13 O 0.02428473326003 0.50068479810162 0.63641960223616 15.999 14 O 0.97571526673997 0.00068479810162 0.86358039776384 15.999 *15 O 0.67640615092313 0.52449652900067 0.11253956513614 15.999 16 O 0.97571526673997 0.49931520189838 0.36358039776384 15.999 *17 O 0.05489685095768 0.34110155959378 0.88486606038881 15.999 18 O 0.94510314904232 0.84110155959378 0.61513393961119 15.999 19 O 0.94510314904232 0.65889844040622 0.11513393961119 15.999 20 O 0.05489685095768 0.15889844040622 0.38486606038881 15.999 *21 O 0.80664513293814 0.57267640266078 0.71533960934338 15.999 22 O 0.19335486706186 0.07267640266078 0.78466039065662 15.999 23 O 0.19335486706186 0.42732359733922 0.28466039065662 15.999 24 O 0.80664513293814 0.92732359733922 0.21533960934338 15.999 *25 O 0.72352150296049 0.17928367619628 0.84700900895017 15.999 26 O 0.27647849703951 0.67928367619628 0.65299099104983 15.999 27 O 0.27647849703951 0.82071632380372 0.15299099104983 15.999 28 O 0.72352150296049 0.32071632380372 0.34700900895017 15.999 *29 O 0.10616368047749 0.82898734565452 0.40548587159853 15.999 30 O 0.89383631952250 0.32898734565452 0.09451412840147 15.999 31 O 0.89383631952250 0.17101265434548 0.59451412840147 15.999 32 O 0.10616368047749 0.67101265434548 0.90548587159853 15.999 33 O 0.67640615092313 0.97550347099933 0.61253956513613 15.999 34 O 0.32359384907687 0.47550347099933 0.88746043486387 15.999 35 O 0.32359384907687 0.02449652900067 0.38746043486386 15.999 36 O 0.02428473326003 0.99931520189838 0.13641960223616 15.999 *37 Zn 0.65261656641153 0.31828636813817 0.97614659479201 65.380 38 Zn 0.34738343358847 0.81828636813817 0.52385340520799 65.380 39 Zn 0.34738343358847 0.68171363186183 0.02385340520799 65.380 40 Zn 0.65261656641153 0.18171363186183 0.47614659479201 65.380 *41 Zn 0.60003806099569 0.02041920449094 0.15467475454804 65.380 42 Zn 0.39996193900431 0.52041920449094 0.34532524545197 65.380 43 Zn 0.39996193900431 0.97958079550906 0.84532524545196 65.380 44 Zn 0.60003806099569 0.47958079550906 0.65467475454804 65.380 *45 Zn 0.01416041367201 0.69360207466154 0.50438807090941 65.380 46 Zn 0.98583958632799 0.19360207466154 0.99561192909059 65.380 47 Zn 0.98583958632799 0.30639792533846 0.49561192909059 65.380 48 Zn 0.01416041367201 0.80639792533846 0.00438807090941 65.380 *49 Zn 0.70719407834861 0.75564291551696 0.54373116429623 65.380 50 Zn 0.29280592165139 0.25564291551696 0.95626883570377 65.380 51 Zn 0.29280592165139 0.24435708448304 0.45626883570378 65.380 52 Zn 0.70719407834861 0.74435708448304 0.04373116429622 65.380 *53 As 0.00031849088412 0.98353618338297 0.28535906576019 74.922 54 As 0.99968150911588 0.48353618338297 0.21464093423981 74.922 55 As 0.99968150911588 0.01646381661702 0.71464093423981 74.922 56 As 0.00031849088412 0.51646381661703 0.78535906576019 74.922 *57 As 0.66102901456282 0.99409026359834 0.76666590818113 74.922 58 As 0.33897098543718 0.49409026359834 0.73333409181887 74.922 59 As 0.33897098543718 0.00590973640166 0.23333409181887 74.922 60 As 0.66102901456282 0.50590973640166 0.26666590818113 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.762734610314398 0.000000000000000 0.000000000000000 b 0.000000000000000 8.215025949999999 0.000000000000000 c -5.392187016676881 0.000000000000000 8.958602175748153 Atomic positions (fractional): *1 O 0.74354485758993 0.66612864558317 0.38530732915859 15.999 > 1 2 O 0.25645514241007 0.16612864558317 0.11469267084141 15.999 > 2 3 O 0.25645514241007 0.33387135441683 0.61469267084141 15.999 > 3 4 O 0.74354485758993 0.83387135441683 0.88530732915859 15.999 > 4 *5 O 0.45600520745491 0.51705405414316 0.19351406329890 15.999 > 5 6 O 0.54399479254509 0.01705405414316 0.30648593670109 15.999 > 6 7 O 0.54399479254509 0.48294594585684 0.80648593670110 15.999 > 7 8 O 0.45600520745491 0.98294594585684 0.69351406329890 15.999 > 8 *9 O 0.50447354267102 0.32609562997735 0.49130401858212 15.999 > 9 10 O 0.49552645732898 0.82609562997735 0.00869598141788 15.999 > 10 11 O 0.49552645732898 0.67390437002265 0.50869598141788 15.999 > 11 12 O 0.50447354267102 0.17390437002264 0.99130401858212 15.999 > 12 *13 O 0.02428473326003 0.50068479810162 0.63641960223616 15.999 > 13 14 O 0.97571526673997 0.00068479810162 0.86358039776384 15.999 > 14 *15 O 0.67640615092313 0.52449652900067 0.11253956513614 15.999 > 15 16 O 0.97571526673997 0.49931520189838 0.36358039776384 15.999 > 16 *17 O 0.05489685095768 0.34110155959378 0.88486606038881 15.999 > 17 18 O 0.94510314904232 0.84110155959378 0.61513393961119 15.999 > 18 19 O 0.94510314904232 0.65889844040622 0.11513393961119 15.999 > 19 20 O 0.05489685095768 0.15889844040622 0.38486606038881 15.999 > 20 *21 O 0.80664513293814 0.57267640266078 0.71533960934338 15.999 > 21 22 O 0.19335486706186 0.07267640266078 0.78466039065662 15.999 > 22 23 O 0.19335486706186 0.42732359733922 0.28466039065662 15.999 > 23 24 O 0.80664513293814 0.92732359733922 0.21533960934338 15.999 > 24 *25 O 0.72352150296049 0.17928367619628 0.84700900895017 15.999 > 25 26 O 0.27647849703951 0.67928367619628 0.65299099104983 15.999 > 26 27 O 0.27647849703951 0.82071632380372 0.15299099104983 15.999 > 27 28 O 0.72352150296049 0.32071632380372 0.34700900895017 15.999 > 28 *29 O 0.10616368047749 0.82898734565452 0.40548587159853 15.999 > 29 30 O 0.89383631952250 0.32898734565452 0.09451412840147 15.999 > 30 31 O 0.89383631952250 0.17101265434548 0.59451412840147 15.999 > 31 32 O 0.10616368047749 0.67101265434548 0.90548587159853 15.999 > 32 33 O 0.67640615092313 0.97550347099933 0.61253956513613 15.999 > 33 34 O 0.32359384907687 0.47550347099933 0.88746043486387 15.999 > 34 35 O 0.32359384907687 0.02449652900067 0.38746043486386 15.999 > 35 36 O 0.02428473326003 0.99931520189838 0.13641960223616 15.999 > 36 *37 Zn 0.65261656641153 0.31828636813817 0.97614659479201 65.380 > 37 38 Zn 0.34738343358847 0.81828636813817 0.52385340520799 65.380 > 38 39 Zn 0.34738343358847 0.68171363186183 0.02385340520799 65.380 > 39 40 Zn 0.65261656641153 0.18171363186183 0.47614659479201 65.380 > 40 *41 Zn 0.60003806099569 0.02041920449094 0.15467475454804 65.380 > 41 42 Zn 0.39996193900431 0.52041920449094 0.34532524545197 65.380 > 42 43 Zn 0.39996193900431 0.97958079550906 0.84532524545196 65.380 > 43 44 Zn 0.60003806099569 0.47958079550906 0.65467475454804 65.380 > 44 *45 Zn 0.01416041367201 0.69360207466154 0.50438807090941 65.380 > 45 46 Zn 0.98583958632799 0.19360207466154 0.99561192909059 65.380 > 46 47 Zn 0.98583958632799 0.30639792533846 0.49561192909059 65.380 > 47 48 Zn 0.01416041367201 0.80639792533846 0.00438807090941 65.380 > 48 *49 Zn 0.70719407834861 0.75564291551696 0.54373116429623 65.380 > 49 50 Zn 0.29280592165139 0.25564291551696 0.95626883570377 65.380 > 50 51 Zn 0.29280592165139 0.24435708448304 0.45626883570378 65.380 > 51 52 Zn 0.70719407834861 0.74435708448304 0.04373116429622 65.380 > 52 *53 As 0.00031849088412 0.98353618338297 0.28535906576019 74.922 > 53 54 As 0.99968150911588 0.48353618338297 0.21464093423981 74.922 > 54 55 As 0.99968150911588 0.01646381661702 0.71464093423981 74.922 > 55 56 As 0.00031849088412 0.51646381661703 0.78535906576019 74.922 > 56 *57 As 0.66102901456282 0.99409026359834 0.76666590818113 74.922 > 57 58 As 0.33897098543718 0.49409026359834 0.73333409181887 74.922 > 58 59 As 0.33897098543718 0.00590973640166 0.23333409181887 74.922 > 59 60 As 0.66102901456282 0.50590973640166 0.26666590818113 74.922 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.762734610314398 0.000000000000000 0.000000000000000 b 0.000000000000000 16.430051899999999 0.000000000000000 c -5.392187016676881 0.000000000000000 8.958602175748153 Atomic positions (fractional): *1 O 0.74354485758993 0.33306432279158 0.38530732915859 15.999 > 1 2 O 0.74354485758993 0.83306432279158 0.38530732915859 15.999 > 1 3 O 0.25645514241007 0.08306432279158 0.11469267084141 15.999 > 2 4 O 0.25645514241007 0.58306432279158 0.11469267084141 15.999 > 2 5 O 0.25645514241007 0.16693567720842 0.61469267084141 15.999 > 3 6 O 0.25645514241007 0.66693567720842 0.61469267084141 15.999 > 3 7 O 0.74354485758993 0.41693567720842 0.88530732915859 15.999 > 4 8 O 0.74354485758993 0.91693567720842 0.88530732915859 15.999 > 4 *9 O 0.45600520745491 0.25852702707158 0.19351406329890 15.999 > 5 10 O 0.45600520745491 0.75852702707158 0.19351406329890 15.999 > 5 11 O 0.54399479254509 0.00852702707158 0.30648593670109 15.999 > 6 12 O 0.54399479254509 0.50852702707158 0.30648593670109 15.999 > 6 13 O 0.54399479254509 0.24147297292842 0.80648593670110 15.999 > 7 14 O 0.54399479254509 0.74147297292842 0.80648593670110 15.999 > 7 15 O 0.45600520745491 0.49147297292842 0.69351406329890 15.999 > 8 16 O 0.45600520745491 0.99147297292842 0.69351406329890 15.999 > 8 *17 O 0.50447354267102 0.16304781498868 0.49130401858212 15.999 > 9 18 O 0.50447354267102 0.66304781498868 0.49130401858212 15.999 > 9 19 O 0.49552645732898 0.41304781498868 0.00869598141788 15.999 > 10 20 O 0.49552645732898 0.91304781498868 0.00869598141788 15.999 > 10 21 O 0.49552645732898 0.33695218501132 0.50869598141788 15.999 > 11 22 O 0.49552645732898 0.83695218501132 0.50869598141788 15.999 > 11 23 O 0.50447354267102 0.08695218501132 0.99130401858212 15.999 > 12 24 O 0.50447354267102 0.58695218501132 0.99130401858212 15.999 > 12 *25 O 0.02428473326003 0.25034239905081 0.63641960223616 15.999 > 13 26 O 0.02428473326003 0.75034239905081 0.63641960223616 15.999 > 13 27 O 0.97571526673997 0.00034239905081 0.86358039776384 15.999 > 14 28 O 0.97571526673997 0.50034239905081 0.86358039776384 15.999 > 14 *29 O 0.67640615092313 0.26224826450033 0.11253956513614 15.999 > 15 30 O 0.67640615092313 0.76224826450033 0.11253956513614 15.999 > 15 31 O 0.97571526673997 0.24965760094919 0.36358039776384 15.999 > 16 32 O 0.97571526673997 0.74965760094919 0.36358039776384 15.999 > 16 *33 O 0.05489685095768 0.17055077979689 0.88486606038881 15.999 > 17 34 O 0.05489685095768 0.67055077979689 0.88486606038881 15.999 > 17 35 O 0.94510314904232 0.42055077979689 0.61513393961119 15.999 > 18 36 O 0.94510314904232 0.92055077979689 0.61513393961119 15.999 > 18 37 O 0.94510314904232 0.32944922020311 0.11513393961119 15.999 > 19 38 O 0.94510314904232 0.82944922020311 0.11513393961119 15.999 > 19 39 O 0.05489685095768 0.07944922020311 0.38486606038881 15.999 > 20 40 O 0.05489685095768 0.57944922020311 0.38486606038881 15.999 > 20 *41 O 0.80664513293814 0.28633820133039 0.71533960934338 15.999 > 21 42 O 0.80664513293814 0.78633820133039 0.71533960934338 15.999 > 21 43 O 0.19335486706186 0.03633820133039 0.78466039065662 15.999 > 22 44 O 0.19335486706186 0.53633820133039 0.78466039065662 15.999 > 22 45 O 0.19335486706186 0.21366179866961 0.28466039065662 15.999 > 23 46 O 0.19335486706186 0.71366179866961 0.28466039065662 15.999 > 23 47 O 0.80664513293814 0.46366179866961 0.21533960934338 15.999 > 24 48 O 0.80664513293814 0.96366179866961 0.21533960934338 15.999 > 24 *49 O 0.72352150296049 0.08964183809814 0.84700900895017 15.999 > 25 50 O 0.72352150296049 0.58964183809814 0.84700900895017 15.999 > 25 51 O 0.27647849703951 0.33964183809814 0.65299099104983 15.999 > 26 52 O 0.27647849703951 0.83964183809814 0.65299099104983 15.999 > 26 53 O 0.27647849703951 0.41035816190186 0.15299099104983 15.999 > 27 54 O 0.27647849703951 0.91035816190186 0.15299099104983 15.999 > 27 55 O 0.72352150296049 0.16035816190186 0.34700900895017 15.999 > 28 56 O 0.72352150296049 0.66035816190186 0.34700900895017 15.999 > 28 *57 O 0.10616368047749 0.41449367282726 0.40548587159853 15.999 > 29 58 O 0.10616368047749 0.91449367282726 0.40548587159853 15.999 > 29 59 O 0.89383631952250 0.16449367282726 0.09451412840147 15.999 > 30 60 O 0.89383631952250 0.66449367282726 0.09451412840147 15.999 > 30 61 O 0.89383631952250 0.08550632717274 0.59451412840147 15.999 > 31 62 O 0.89383631952250 0.58550632717274 0.59451412840147 15.999 > 31 63 O 0.10616368047749 0.33550632717274 0.90548587159853 15.999 > 32 64 O 0.10616368047749 0.83550632717274 0.90548587159853 15.999 > 32 65 O 0.67640615092313 0.48775173549967 0.61253956513613 15.999 > 33 66 O 0.67640615092313 0.98775173549967 0.61253956513613 15.999 > 33 67 O 0.32359384907687 0.23775173549967 0.88746043486387 15.999 > 34 68 O 0.32359384907687 0.73775173549967 0.88746043486387 15.999 > 34 69 O 0.32359384907687 0.01224826450033 0.38746043486386 15.999 > 35 70 O 0.32359384907687 0.51224826450033 0.38746043486386 15.999 > 35 71 O 0.02428473326003 0.49965760094919 0.13641960223616 15.999 > 36 72 O 0.02428473326003 0.99965760094919 0.13641960223616 15.999 > 36 *73 Zn 0.65261656641153 0.15914318406909 0.97614659479201 65.380 > 37 74 Zn 0.65261656641153 0.65914318406909 0.97614659479201 65.380 > 37 75 Zn 0.34738343358847 0.40914318406909 0.52385340520799 65.380 > 38 76 Zn 0.34738343358847 0.90914318406909 0.52385340520799 65.380 > 38 77 Zn 0.34738343358847 0.34085681593091 0.02385340520799 65.380 > 39 78 Zn 0.34738343358847 0.84085681593091 0.02385340520799 65.380 > 39 79 Zn 0.65261656641153 0.09085681593091 0.47614659479201 65.380 > 40 80 Zn 0.65261656641153 0.59085681593091 0.47614659479201 65.380 > 40 *81 Zn 0.60003806099569 0.01020960224547 0.15467475454804 65.380 > 41 82 Zn 0.60003806099569 0.51020960224547 0.15467475454804 65.380 > 41 83 Zn 0.39996193900431 0.26020960224547 0.34532524545197 65.380 > 42 84 Zn 0.39996193900431 0.76020960224547 0.34532524545197 65.380 > 42 85 Zn 0.39996193900431 0.48979039775453 0.84532524545196 65.380 > 43 86 Zn 0.39996193900431 0.98979039775453 0.84532524545196 65.380 > 43 87 Zn 0.60003806099569 0.23979039775453 0.65467475454804 65.380 > 44 88 Zn 0.60003806099569 0.73979039775453 0.65467475454804 65.380 > 44 *89 Zn 0.01416041367201 0.34680103733077 0.50438807090941 65.380 > 45 90 Zn 0.01416041367201 0.84680103733077 0.50438807090941 65.380 > 45 91 Zn 0.98583958632799 0.09680103733077 0.99561192909059 65.380 > 46 92 Zn 0.98583958632799 0.59680103733077 0.99561192909059 65.380 > 46 93 Zn 0.98583958632799 0.15319896266923 0.49561192909059 65.380 > 47 94 Zn 0.98583958632799 0.65319896266923 0.49561192909059 65.380 > 47 95 Zn 0.01416041367201 0.40319896266923 0.00438807090941 65.380 > 48 96 Zn 0.01416041367201 0.90319896266923 0.00438807090941 65.380 > 48 *97 Zn 0.70719407834861 0.37782145775848 0.54373116429623 65.380 > 49 98 Zn 0.70719407834861 0.87782145775848 0.54373116429623 65.380 > 49 99 Zn 0.29280592165139 0.12782145775848 0.95626883570377 65.380 > 50 100 Zn 0.29280592165139 0.62782145775848 0.95626883570377 65.380 > 50 101 Zn 0.29280592165139 0.12217854224152 0.45626883570378 65.380 > 51 102 Zn 0.29280592165139 0.62217854224152 0.45626883570378 65.380 > 51 103 Zn 0.70719407834861 0.37217854224152 0.04373116429622 65.380 > 52 104 Zn 0.70719407834861 0.87217854224152 0.04373116429622 65.380 > 52 *105 As 0.00031849088412 0.49176809169149 0.28535906576019 74.922 > 53 106 As 0.00031849088412 0.99176809169149 0.28535906576019 74.922 > 53 107 As 0.99968150911588 0.24176809169149 0.21464093423981 74.922 > 54 108 As 0.99968150911588 0.74176809169149 0.21464093423981 74.922 > 54 109 As 0.99968150911588 0.00823190830851 0.71464093423981 74.922 > 55 110 As 0.99968150911588 0.50823190830851 0.71464093423981 74.922 > 55 111 As 0.00031849088412 0.25823190830851 0.78535906576019 74.922 > 56 112 As 0.00031849088412 0.75823190830851 0.78535906576019 74.922 > 56 *113 As 0.66102901456282 0.49704513179917 0.76666590818113 74.922 > 57 114 As 0.66102901456282 0.99704513179917 0.76666590818113 74.922 > 57 115 As 0.33897098543718 0.24704513179917 0.73333409181887 74.922 > 58 116 As 0.33897098543718 0.74704513179917 0.73333409181887 74.922 > 58 117 As 0.33897098543718 0.00295486820083 0.23333409181887 74.922 > 59 118 As 0.33897098543718 0.50295486820083 0.23333409181887 74.922 > 59 119 As 0.66102901456282 0.25295486820083 0.26666590818113 74.922 > 60 120 As 0.66102901456282 0.75295486820083 0.26666590818113 74.922 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0166854 0.0000000 0.0080624 0.0000000 3.9496996 0.0000000 0.0080637 0.0000000 3.9390347 -------------------------- Born effective charges -------------------------- 1 O -1.6058686 0.0517632 0.0331047 0.0284175 -1.6872908 -0.6688636 0.0033228 -0.7933464 -1.9852264 2 O -1.6058686 -0.0517632 0.0331047 -0.0284175 -1.6872908 0.6688636 0.0033228 0.7933464 -1.9852264 3 O -1.6058686 0.0517632 0.0331047 0.0284175 -1.6872908 -0.6688636 0.0033228 -0.7933464 -1.9852264 4 O -1.6058686 -0.0517632 0.0331047 -0.0284175 -1.6872908 0.6688636 0.0033228 0.7933464 -1.9852264 5 O -2.3411213 0.1164735 -0.1041152 0.1427811 -1.3284619 0.2527299 -0.1688564 0.2388198 -1.9158322 6 O -2.3411213 -0.1164735 -0.1041152 -0.1427811 -1.3284619 -0.2527299 -0.1688564 -0.2388198 -1.9158322 7 O -2.3411213 0.1164735 -0.1041152 0.1427811 -1.3284619 0.2527299 -0.1688564 0.2388198 -1.9158322 8 O -2.3411213 -0.1164735 -0.1041152 -0.1427811 -1.3284619 -0.2527299 -0.1688564 -0.2388198 -1.9158322 9 O -1.9546009 0.1250898 -0.0772565 0.1461040 -2.0829177 -0.0482802 -0.0801239 -0.1272318 -1.6351331 10 O -1.9546009 -0.1250898 -0.0772565 -0.1461040 -2.0829177 0.0482802 -0.0801239 0.1272318 -1.6351331 11 O -1.9546009 0.1250898 -0.0772565 0.1461040 -2.0829177 -0.0482802 -0.0801239 -0.1272318 -1.6351331 12 O -1.9546009 -0.1250898 -0.0772565 -0.1461040 -2.0829177 0.0482802 -0.0801239 0.1272318 -1.6351331 13 O -1.9285266 0.0777981 0.5604122 0.0472208 -1.5234251 -0.0559202 0.5499210 -0.0524355 -2.1195257 14 O -1.9285266 -0.0777981 0.5604122 -0.0472208 -1.5234251 0.0559202 0.5499210 0.0524355 -2.1195257 15 O -1.8156733 -0.0553650 0.4696581 -0.0671681 -1.7137296 0.1071737 0.5512139 0.0275358 -2.0040837 16 O -1.9285266 0.0777981 0.5604122 0.0472208 -1.5234251 -0.0559202 0.5499210 -0.0524355 -2.1195257 17 O -1.5849769 -0.0607973 0.0619214 0.0190190 -2.3100861 0.7568982 0.0324007 0.7012794 -1.5641140 18 O -1.5849769 0.0607973 0.0619214 -0.0190190 -2.3100861 -0.7568982 0.0324007 -0.7012794 -1.5641140 19 O -1.5849769 -0.0607973 0.0619214 0.0190190 -2.3100861 0.7568982 0.0324007 0.7012794 -1.5641140 20 O -1.5849769 0.0607973 0.0619214 -0.0190190 -2.3100861 -0.7568982 0.0324007 -0.7012794 -1.5641140 21 O -2.5225274 0.1522686 -0.6707715 0.0590402 -1.4353461 0.2569584 -0.6903470 0.2268811 -1.5675244 22 O -2.5225274 -0.1522686 -0.6707715 -0.0590402 -1.4353461 -0.2569584 -0.6903470 -0.2268811 -1.5675244 23 O -2.5225274 0.1522686 -0.6707715 0.0590402 -1.4353461 0.2569584 -0.6903470 0.2268811 -1.5675244 24 O -2.5225274 -0.1522686 -0.6707715 -0.0590402 -1.4353461 -0.2569584 -0.6903470 -0.2268811 -1.5675244 25 O -1.5925064 0.1455974 -0.0795056 -0.0264771 -2.1505337 -0.6466540 -0.0758523 -0.4988070 -1.6118836 26 O -1.5925064 -0.1455974 -0.0795056 0.0264771 -2.1505337 0.6466540 -0.0758523 0.4988070 -1.6118836 27 O -1.5925064 0.1455974 -0.0795056 -0.0264771 -2.1505337 -0.6466540 -0.0758523 -0.4988070 -1.6118836 28 O -1.5925064 -0.1455974 -0.0795056 0.0264771 -2.1505337 0.6466540 -0.0758523 0.4988070 -1.6118836 29 O -1.7581284 0.0007056 -0.2821276 -0.0582407 -1.9623564 0.7301345 -0.2518981 0.7049205 -1.8306929 30 O -1.7581284 -0.0007056 -0.2821276 0.0582407 -1.9623564 -0.7301345 -0.2518981 -0.7049205 -1.8306929 31 O -1.7581284 0.0007056 -0.2821276 -0.0582407 -1.9623564 0.7301345 -0.2518981 0.7049205 -1.8306929 32 O -1.7581284 -0.0007056 -0.2821276 0.0582407 -1.9623564 -0.7301345 -0.2518981 -0.7049205 -1.8306929 33 O -1.8156733 0.0553650 0.4696581 0.0671681 -1.7137296 -0.1071737 0.5512139 -0.0275358 -2.0040837 34 O -1.8156733 -0.0553650 0.4696581 -0.0671681 -1.7137296 0.1071737 0.5512139 0.0275358 -2.0040837 35 O -1.8156733 0.0553650 0.4696581 0.0671681 -1.7137296 -0.1071737 0.5512139 -0.0275358 -2.0040837 36 O -1.9285266 -0.0777981 0.5604122 -0.0472208 -1.5234251 0.0559202 0.5499210 0.0524355 -2.1195257 37 Zn 2.3408912 -0.1780597 0.0807055 -0.0044106 2.3613038 0.3766238 0.0769859 0.2412267 2.3587435 38 Zn 2.3408912 0.1780597 0.0807055 0.0044106 2.3613038 -0.3766238 0.0769859 -0.2412267 2.3587435 39 Zn 2.3408912 -0.1780597 0.0807055 -0.0044106 2.3613038 0.3766238 0.0769859 0.2412267 2.3587435 40 Zn 2.3408912 0.1780597 0.0807055 0.0044106 2.3613038 -0.3766238 0.0769859 -0.2412267 2.3587435 41 Zn 2.2920094 -0.2903589 -0.1540618 -0.1483772 1.9818383 0.0436013 -0.0180573 -0.0944761 2.0388229 42 Zn 2.2920094 0.2903589 -0.1540618 0.1483772 1.9818383 -0.0436013 -0.0180573 0.0944761 2.0388229 43 Zn 2.2920094 -0.2903589 -0.1540618 -0.1483772 1.9818383 0.0436013 -0.0180573 -0.0944761 2.0388229 44 Zn 2.2920094 0.2903589 -0.1540618 0.1483772 1.9818383 -0.0436013 -0.0180573 0.0944761 2.0388229 45 Zn 2.5137993 0.0123961 -0.1295639 0.0392897 2.4285833 -0.0047402 -0.1750818 0.0384582 2.5368776 46 Zn 2.5137993 -0.0123961 -0.1295639 -0.0392897 2.4285833 0.0047402 -0.1750818 -0.0384582 2.5368776 47 Zn 2.5137993 0.0123961 -0.1295639 0.0392897 2.4285833 -0.0047402 -0.1750818 0.0384582 2.5368776 48 Zn 2.5137993 -0.0123961 -0.1295639 -0.0392897 2.4285833 0.0047402 -0.1750818 -0.0384582 2.5368776 49 Zn 2.4180183 -0.2147578 0.1094031 0.0650931 2.3830019 0.2883927 -0.0195061 0.3459053 2.1663560 50 Zn 2.4180183 0.2147578 0.1094031 -0.0650931 2.3830019 -0.2883927 -0.0195061 -0.3459053 2.1663560 51 Zn 2.4180183 -0.2147578 0.1094031 0.0650931 2.3830019 0.2883927 -0.0195061 0.3459053 2.1663560 52 Zn 2.4180183 0.2147578 0.1094031 -0.0650931 2.3830019 -0.2883927 -0.0195061 -0.3459053 2.1663560 53 As 3.7574691 0.2803896 0.1140075 0.1613887 3.7729094 0.1065382 0.1919629 0.0491066 3.6467019 54 As 3.7574691 -0.2803896 0.1140075 -0.1613887 3.7729094 -0.1065382 0.1919629 -0.0491066 3.6467019 55 As 3.7574691 0.2803896 0.1140075 0.1613887 3.7729094 0.1065382 0.1919629 0.0491066 3.6467019 56 As 3.7574691 -0.2803896 0.1140075 -0.1613887 3.7729094 -0.1065382 0.1919629 -0.0491066 3.6467019 57 As 3.7817426 -0.0049177 0.0681898 0.1854110 3.2665106 0.2081079 0.0739156 -0.0725574 3.4865142 58 As 3.7817426 0.0049177 0.0681898 -0.1854110 3.2665106 -0.2081079 0.0739156 0.0725574 3.4865142 59 As 3.7817426 -0.0049177 0.0681898 0.1854110 3.2665106 0.2081079 0.0739156 -0.0725574 3.4865142 60 As 3.7817426 0.0049177 0.0681898 -0.1854110 3.2665106 -0.2081079 0.0739156 0.0725574 3.4865142 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8235 Number of blocks in projector: 8235 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 945 / 945 (1) 430 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 945 / 945 (1) 430 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 945 / 945 (1) 430 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8235, 8101), data: False |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.377 Solver_block: 200 / 1840 - Time: 2.078 Solver_block: 300 / 1840 - Time: 2.076 Solver_block: 400 / 1840 - Time: 2.084 Solver_block: 500 / 1840 - Time: 2.086 Solver_block: 600 / 1840 - Time: 2.083 Solver_block: 700 / 1840 - Time: 2.090 Solver_block: 800 / 1840 - Time: 2.079 Solver_block: 900 / 1840 - Time: 2.079 Solver_block: 1000 / 1840 - Time: 2.083 Solver_block: 1100 / 1840 - Time: 2.082 Solver_block: 1200 / 1840 - Time: 2.084 Solver_block: 1300 / 1840 - Time: 2.074 Solver_block: 1400 / 1840 - Time: 2.081 Solver_block: 1500 / 1840 - Time: 2.078 Solver_block: 1600 / 1840 - Time: 2.073 Solver_block: 1700 / 1840 - Time: 2.079 Solver_block: 1800 / 1840 - Time: 2.082 Solver_block: 1840 / 1840 - Time: 0.996 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 39.774 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8235 Number of blocks in projector: 8235 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 945 / 945 (1) 430 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 945 / 945 (1) 430 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 945 Use submatrix version of eigh solver. (1) Block: 500 / 945 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 945 / 945 (1) 430 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8235, 8101), data: False |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (945, 930), data: False |-- (945, 15), data: (945, 30) @ (30, 15) |-- (445, 430), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:09:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:09:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.762734610314398 0.000000000000000 0.000000000000000 b 0.000000000000000 8.215025949999999 0.000000000000000 c -5.392187016676881 0.000000000000000 8.958602175748153 Atomic positions (fractional): 1 O 0.74354485758993 0.66612864558317 0.38530732915859 15.999 2 O 0.25645514241007 0.16612864558317 0.11469267084141 15.999 3 O 0.25645514241007 0.33387135441683 0.61469267084141 15.999 4 O 0.74354485758993 0.83387135441683 0.88530732915859 15.999 5 O 0.45600520745491 0.51705405414316 0.19351406329890 15.999 6 O 0.54399479254509 0.01705405414316 0.30648593670109 15.999 7 O 0.54399479254509 0.48294594585684 0.80648593670110 15.999 8 O 0.45600520745491 0.98294594585684 0.69351406329890 15.999 9 O 0.50447354267102 0.32609562997735 0.49130401858212 15.999 10 O 0.49552645732898 0.82609562997735 0.00869598141788 15.999 11 O 0.49552645732898 0.67390437002265 0.50869598141788 15.999 12 O 0.50447354267102 0.17390437002264 0.99130401858212 15.999 13 O 0.02428473326003 0.50068479810162 0.63641960223616 15.999 14 O 0.97571526673997 0.00068479810162 0.86358039776384 15.999 15 O 0.67640615092313 0.52449652900067 0.11253956513614 15.999 16 O 0.97571526673997 0.49931520189838 0.36358039776384 15.999 17 O 0.05489685095768 0.34110155959378 0.88486606038881 15.999 18 O 0.94510314904232 0.84110155959378 0.61513393961119 15.999 19 O 0.94510314904232 0.65889844040622 0.11513393961119 15.999 20 O 0.05489685095768 0.15889844040622 0.38486606038881 15.999 21 O 0.80664513293814 0.57267640266078 0.71533960934338 15.999 22 O 0.19335486706186 0.07267640266078 0.78466039065662 15.999 23 O 0.19335486706186 0.42732359733922 0.28466039065662 15.999 24 O 0.80664513293814 0.92732359733922 0.21533960934338 15.999 25 O 0.72352150296049 0.17928367619628 0.84700900895017 15.999 26 O 0.27647849703951 0.67928367619628 0.65299099104983 15.999 27 O 0.27647849703951 0.82071632380372 0.15299099104983 15.999 28 O 0.72352150296049 0.32071632380372 0.34700900895017 15.999 29 O 0.10616368047749 0.82898734565452 0.40548587159853 15.999 30 O 0.89383631952250 0.32898734565452 0.09451412840147 15.999 31 O 0.89383631952250 0.17101265434548 0.59451412840147 15.999 32 O 0.10616368047749 0.67101265434548 0.90548587159853 15.999 33 O 0.67640615092313 0.97550347099933 0.61253956513613 15.999 34 O 0.32359384907687 0.47550347099933 0.88746043486387 15.999 35 O 0.32359384907687 0.02449652900067 0.38746043486386 15.999 36 O 0.02428473326003 0.99931520189838 0.13641960223616 15.999 37 Zn 0.65261656641153 0.31828636813817 0.97614659479201 65.380 38 Zn 0.34738343358847 0.81828636813817 0.52385340520799 65.380 39 Zn 0.34738343358847 0.68171363186183 0.02385340520799 65.380 40 Zn 0.65261656641153 0.18171363186183 0.47614659479201 65.380 41 Zn 0.60003806099569 0.02041920449094 0.15467475454804 65.380 42 Zn 0.39996193900431 0.52041920449094 0.34532524545197 65.380 43 Zn 0.39996193900431 0.97958079550906 0.84532524545196 65.380 44 Zn 0.60003806099569 0.47958079550906 0.65467475454804 65.380 45 Zn 0.01416041367201 0.69360207466154 0.50438807090941 65.380 46 Zn 0.98583958632799 0.19360207466154 0.99561192909059 65.380 47 Zn 0.98583958632799 0.30639792533846 0.49561192909059 65.380 48 Zn 0.01416041367201 0.80639792533846 0.00438807090941 65.380 49 Zn 0.70719407834861 0.75564291551696 0.54373116429623 65.380 50 Zn 0.29280592165139 0.25564291551696 0.95626883570377 65.380 51 Zn 0.29280592165139 0.24435708448304 0.45626883570378 65.380 52 Zn 0.70719407834861 0.74435708448304 0.04373116429622 65.380 53 As 0.00031849088412 0.98353618338297 0.28535906576019 74.922 54 As 0.99968150911588 0.48353618338297 0.21464093423981 74.922 55 As 0.99968150911588 0.01646381661702 0.71464093423981 74.922 56 As 0.00031849088412 0.51646381661703 0.78535906576019 74.922 57 As 0.66102901456282 0.99409026359834 0.76666590818113 74.922 58 As 0.33897098543718 0.49409026359834 0.73333409181887 74.922 59 As 0.33897098543718 0.00590973640166 0.23333409181887 74.922 60 As 0.66102901456282 0.50590973640166 0.26666590818113 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.762734610314398 0.000000000000000 0.000000000000000 b 0.000000000000000 16.430051899999999 0.000000000000000 c -5.392187016676881 0.000000000000000 8.958602175748153 Atomic positions (fractional): 1 O 0.74354485758993 0.33306432279158 0.38530732915859 15.999 > 1 2 O 0.74354485758993 0.83306432279158 0.38530732915859 15.999 > 1 3 O 0.25645514241007 0.08306432279158 0.11469267084141 15.999 > 3 4 O 0.25645514241007 0.58306432279158 0.11469267084141 15.999 > 3 5 O 0.25645514241007 0.16693567720842 0.61469267084141 15.999 > 5 6 O 0.25645514241007 0.66693567720842 0.61469267084141 15.999 > 5 7 O 0.74354485758993 0.41693567720842 0.88530732915859 15.999 > 7 8 O 0.74354485758993 0.91693567720842 0.88530732915859 15.999 > 7 9 O 0.45600520745491 0.25852702707158 0.19351406329890 15.999 > 9 10 O 0.45600520745491 0.75852702707158 0.19351406329890 15.999 > 9 11 O 0.54399479254509 0.00852702707158 0.30648593670109 15.999 > 11 12 O 0.54399479254509 0.50852702707158 0.30648593670109 15.999 > 11 13 O 0.54399479254509 0.24147297292842 0.80648593670110 15.999 > 13 14 O 0.54399479254509 0.74147297292842 0.80648593670110 15.999 > 13 15 O 0.45600520745491 0.49147297292842 0.69351406329890 15.999 > 15 16 O 0.45600520745491 0.99147297292842 0.69351406329890 15.999 > 15 17 O 0.50447354267102 0.16304781498868 0.49130401858212 15.999 > 17 18 O 0.50447354267102 0.66304781498868 0.49130401858212 15.999 > 17 19 O 0.49552645732898 0.41304781498868 0.00869598141788 15.999 > 19 20 O 0.49552645732898 0.91304781498868 0.00869598141788 15.999 > 19 21 O 0.49552645732898 0.33695218501132 0.50869598141788 15.999 > 21 22 O 0.49552645732898 0.83695218501132 0.50869598141788 15.999 > 21 23 O 0.50447354267102 0.08695218501132 0.99130401858212 15.999 > 23 24 O 0.50447354267102 0.58695218501132 0.99130401858212 15.999 > 23 25 O 0.02428473326003 0.25034239905081 0.63641960223616 15.999 > 25 26 O 0.02428473326003 0.75034239905081 0.63641960223616 15.999 > 25 27 O 0.97571526673997 0.00034239905081 0.86358039776384 15.999 > 27 28 O 0.97571526673997 0.50034239905081 0.86358039776384 15.999 > 27 29 O 0.67640615092313 0.26224826450033 0.11253956513614 15.999 > 29 30 O 0.67640615092313 0.76224826450033 0.11253956513614 15.999 > 29 31 O 0.97571526673997 0.24965760094919 0.36358039776384 15.999 > 31 32 O 0.97571526673997 0.74965760094919 0.36358039776384 15.999 > 31 33 O 0.05489685095768 0.17055077979689 0.88486606038881 15.999 > 33 34 O 0.05489685095768 0.67055077979689 0.88486606038881 15.999 > 33 35 O 0.94510314904232 0.42055077979689 0.61513393961119 15.999 > 35 36 O 0.94510314904232 0.92055077979689 0.61513393961119 15.999 > 35 37 O 0.94510314904232 0.32944922020311 0.11513393961119 15.999 > 37 38 O 0.94510314904232 0.82944922020311 0.11513393961119 15.999 > 37 39 O 0.05489685095768 0.07944922020311 0.38486606038881 15.999 > 39 40 O 0.05489685095768 0.57944922020311 0.38486606038881 15.999 > 39 41 O 0.80664513293814 0.28633820133039 0.71533960934338 15.999 > 41 42 O 0.80664513293814 0.78633820133039 0.71533960934338 15.999 > 41 43 O 0.19335486706186 0.03633820133039 0.78466039065662 15.999 > 43 44 O 0.19335486706186 0.53633820133039 0.78466039065662 15.999 > 43 45 O 0.19335486706186 0.21366179866961 0.28466039065662 15.999 > 45 46 O 0.19335486706186 0.71366179866961 0.28466039065662 15.999 > 45 47 O 0.80664513293814 0.46366179866961 0.21533960934338 15.999 > 47 48 O 0.80664513293814 0.96366179866961 0.21533960934338 15.999 > 47 49 O 0.72352150296049 0.08964183809814 0.84700900895017 15.999 > 49 50 O 0.72352150296049 0.58964183809814 0.84700900895017 15.999 > 49 51 O 0.27647849703951 0.33964183809814 0.65299099104983 15.999 > 51 52 O 0.27647849703951 0.83964183809814 0.65299099104983 15.999 > 51 53 O 0.27647849703951 0.41035816190186 0.15299099104983 15.999 > 53 54 O 0.27647849703951 0.91035816190186 0.15299099104983 15.999 > 53 55 O 0.72352150296049 0.16035816190186 0.34700900895017 15.999 > 55 56 O 0.72352150296049 0.66035816190186 0.34700900895017 15.999 > 55 57 O 0.10616368047749 0.41449367282726 0.40548587159853 15.999 > 57 58 O 0.10616368047749 0.91449367282726 0.40548587159853 15.999 > 57 59 O 0.89383631952250 0.16449367282726 0.09451412840147 15.999 > 59 60 O 0.89383631952250 0.66449367282726 0.09451412840147 15.999 > 59 61 O 0.89383631952250 0.08550632717274 0.59451412840147 15.999 > 61 62 O 0.89383631952250 0.58550632717274 0.59451412840147 15.999 > 61 63 O 0.10616368047749 0.33550632717274 0.90548587159853 15.999 > 63 64 O 0.10616368047749 0.83550632717274 0.90548587159853 15.999 > 63 65 O 0.67640615092313 0.48775173549967 0.61253956513613 15.999 > 65 66 O 0.67640615092313 0.98775173549967 0.61253956513613 15.999 > 65 67 O 0.32359384907687 0.23775173549967 0.88746043486387 15.999 > 67 68 O 0.32359384907687 0.73775173549967 0.88746043486387 15.999 > 67 69 O 0.32359384907687 0.01224826450033 0.38746043486386 15.999 > 69 70 O 0.32359384907687 0.51224826450033 0.38746043486386 15.999 > 69 71 O 0.02428473326003 0.49965760094919 0.13641960223616 15.999 > 71 72 O 0.02428473326003 0.99965760094919 0.13641960223616 15.999 > 71 73 Zn 0.65261656641153 0.15914318406909 0.97614659479201 65.380 > 73 74 Zn 0.65261656641153 0.65914318406909 0.97614659479201 65.380 > 73 75 Zn 0.34738343358847 0.40914318406909 0.52385340520799 65.380 > 75 76 Zn 0.34738343358847 0.90914318406909 0.52385340520799 65.380 > 75 77 Zn 0.34738343358847 0.34085681593091 0.02385340520799 65.380 > 77 78 Zn 0.34738343358847 0.84085681593091 0.02385340520799 65.380 > 77 79 Zn 0.65261656641153 0.09085681593091 0.47614659479201 65.380 > 79 80 Zn 0.65261656641153 0.59085681593091 0.47614659479201 65.380 > 79 81 Zn 0.60003806099569 0.01020960224547 0.15467475454804 65.380 > 81 82 Zn 0.60003806099569 0.51020960224547 0.15467475454804 65.380 > 81 83 Zn 0.39996193900431 0.26020960224547 0.34532524545197 65.380 > 83 84 Zn 0.39996193900431 0.76020960224547 0.34532524545197 65.380 > 83 85 Zn 0.39996193900431 0.48979039775453 0.84532524545196 65.380 > 85 86 Zn 0.39996193900431 0.98979039775453 0.84532524545196 65.380 > 85 87 Zn 0.60003806099569 0.23979039775453 0.65467475454804 65.380 > 87 88 Zn 0.60003806099569 0.73979039775453 0.65467475454804 65.380 > 87 89 Zn 0.01416041367201 0.34680103733077 0.50438807090941 65.380 > 89 90 Zn 0.01416041367201 0.84680103733077 0.50438807090941 65.380 > 89 91 Zn 0.98583958632799 0.09680103733077 0.99561192909059 65.380 > 91 92 Zn 0.98583958632799 0.59680103733077 0.99561192909059 65.380 > 91 93 Zn 0.98583958632799 0.15319896266923 0.49561192909059 65.380 > 93 94 Zn 0.98583958632799 0.65319896266923 0.49561192909059 65.380 > 93 95 Zn 0.01416041367201 0.40319896266923 0.00438807090941 65.380 > 95 96 Zn 0.01416041367201 0.90319896266923 0.00438807090941 65.380 > 95 97 Zn 0.70719407834861 0.37782145775848 0.54373116429623 65.380 > 97 98 Zn 0.70719407834861 0.87782145775848 0.54373116429623 65.380 > 97 99 Zn 0.29280592165139 0.12782145775848 0.95626883570377 65.380 > 99 100 Zn 0.29280592165139 0.62782145775848 0.95626883570377 65.380 > 99 101 Zn 0.29280592165139 0.12217854224152 0.45626883570378 65.380 > 101 102 Zn 0.29280592165139 0.62217854224152 0.45626883570378 65.380 > 101 103 Zn 0.70719407834861 0.37217854224152 0.04373116429622 65.380 > 103 104 Zn 0.70719407834861 0.87217854224152 0.04373116429622 65.380 > 103 105 As 0.00031849088412 0.49176809169149 0.28535906576019 74.922 > 105 106 As 0.00031849088412 0.99176809169149 0.28535906576019 74.922 > 105 107 As 0.99968150911588 0.24176809169149 0.21464093423981 74.922 > 107 108 As 0.99968150911588 0.74176809169149 0.21464093423981 74.922 > 107 109 As 0.99968150911588 0.00823190830851 0.71464093423981 74.922 > 109 110 As 0.99968150911588 0.50823190830851 0.71464093423981 74.922 > 109 111 As 0.00031849088412 0.25823190830851 0.78535906576019 74.922 > 111 112 As 0.00031849088412 0.75823190830851 0.78535906576019 74.922 > 111 113 As 0.66102901456282 0.49704513179917 0.76666590818113 74.922 > 113 114 As 0.66102901456282 0.99704513179917 0.76666590818113 74.922 > 113 115 As 0.33897098543718 0.24704513179917 0.73333409181887 74.922 > 115 116 As 0.33897098543718 0.74704513179917 0.73333409181887 74.922 > 115 117 As 0.33897098543718 0.00295486820083 0.23333409181887 74.922 > 117 118 As 0.33897098543718 0.50295486820083 0.23333409181887 74.922 > 117 119 As 0.66102901456282 0.25295486820083 0.26666590818113 74.922 > 119 120 As 0.66102901456282 0.75295486820083 0.26666590818113 74.922 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0166854 0.0000000 0.0080624 0.0000000 3.9496996 0.0000000 0.0080637 0.0000000 3.9390347 -------------------------- Born effective charges -------------------------- 1 O -1.6058686 0.0517632 0.0331047 0.0284175 -1.6872908 -0.6688636 0.0033228 -0.7933464 -1.9852264 2 O -1.6058686 -0.0517632 0.0331047 -0.0284175 -1.6872908 0.6688636 0.0033228 0.7933464 -1.9852264 3 O -1.6058686 0.0517632 0.0331047 0.0284175 -1.6872908 -0.6688636 0.0033228 -0.7933464 -1.9852264 4 O -1.6058686 -0.0517632 0.0331047 -0.0284175 -1.6872908 0.6688636 0.0033228 0.7933464 -1.9852264 5 O -2.3411213 0.1164735 -0.1041152 0.1427811 -1.3284619 0.2527299 -0.1688564 0.2388198 -1.9158322 6 O -2.3411213 -0.1164735 -0.1041152 -0.1427811 -1.3284619 -0.2527299 -0.1688564 -0.2388198 -1.9158322 7 O -2.3411213 0.1164735 -0.1041152 0.1427811 -1.3284619 0.2527299 -0.1688564 0.2388198 -1.9158322 8 O -2.3411213 -0.1164735 -0.1041152 -0.1427811 -1.3284619 -0.2527299 -0.1688564 -0.2388198 -1.9158322 9 O -1.9546009 0.1250898 -0.0772565 0.1461040 -2.0829177 -0.0482802 -0.0801239 -0.1272318 -1.6351331 10 O -1.9546009 -0.1250898 -0.0772565 -0.1461040 -2.0829177 0.0482802 -0.0801239 0.1272318 -1.6351331 11 O -1.9546009 0.1250898 -0.0772565 0.1461040 -2.0829177 -0.0482802 -0.0801239 -0.1272318 -1.6351331 12 O -1.9546009 -0.1250898 -0.0772565 -0.1461040 -2.0829177 0.0482802 -0.0801239 0.1272318 -1.6351331 13 O -1.9285266 0.0777981 0.5604122 0.0472208 -1.5234251 -0.0559202 0.5499210 -0.0524355 -2.1195257 14 O -1.9285266 -0.0777981 0.5604122 -0.0472208 -1.5234251 0.0559202 0.5499210 0.0524355 -2.1195257 15 O -1.8156733 -0.0553650 0.4696581 -0.0671681 -1.7137296 0.1071737 0.5512139 0.0275358 -2.0040837 16 O -1.9285266 0.0777981 0.5604122 0.0472208 -1.5234251 -0.0559202 0.5499210 -0.0524355 -2.1195257 17 O -1.5849769 -0.0607973 0.0619214 0.0190190 -2.3100861 0.7568982 0.0324007 0.7012794 -1.5641140 18 O -1.5849769 0.0607973 0.0619214 -0.0190190 -2.3100861 -0.7568982 0.0324007 -0.7012794 -1.5641140 19 O -1.5849769 -0.0607973 0.0619214 0.0190190 -2.3100861 0.7568982 0.0324007 0.7012794 -1.5641140 20 O -1.5849769 0.0607973 0.0619214 -0.0190190 -2.3100861 -0.7568982 0.0324007 -0.7012794 -1.5641140 21 O -2.5225274 0.1522686 -0.6707715 0.0590402 -1.4353461 0.2569584 -0.6903470 0.2268811 -1.5675244 22 O -2.5225274 -0.1522686 -0.6707715 -0.0590402 -1.4353461 -0.2569584 -0.6903470 -0.2268811 -1.5675244 23 O -2.5225274 0.1522686 -0.6707715 0.0590402 -1.4353461 0.2569584 -0.6903470 0.2268811 -1.5675244 24 O -2.5225274 -0.1522686 -0.6707715 -0.0590402 -1.4353461 -0.2569584 -0.6903470 -0.2268811 -1.5675244 25 O -1.5925064 0.1455974 -0.0795056 -0.0264771 -2.1505337 -0.6466540 -0.0758523 -0.4988070 -1.6118836 26 O -1.5925064 -0.1455974 -0.0795056 0.0264771 -2.1505337 0.6466540 -0.0758523 0.4988070 -1.6118836 27 O -1.5925064 0.1455974 -0.0795056 -0.0264771 -2.1505337 -0.6466540 -0.0758523 -0.4988070 -1.6118836 28 O -1.5925064 -0.1455974 -0.0795056 0.0264771 -2.1505337 0.6466540 -0.0758523 0.4988070 -1.6118836 29 O -1.7581284 0.0007056 -0.2821276 -0.0582407 -1.9623564 0.7301345 -0.2518981 0.7049205 -1.8306929 30 O -1.7581284 -0.0007056 -0.2821276 0.0582407 -1.9623564 -0.7301345 -0.2518981 -0.7049205 -1.8306929 31 O -1.7581284 0.0007056 -0.2821276 -0.0582407 -1.9623564 0.7301345 -0.2518981 0.7049205 -1.8306929 32 O -1.7581284 -0.0007056 -0.2821276 0.0582407 -1.9623564 -0.7301345 -0.2518981 -0.7049205 -1.8306929 33 O -1.8156733 0.0553650 0.4696581 0.0671681 -1.7137296 -0.1071737 0.5512139 -0.0275358 -2.0040837 34 O -1.8156733 -0.0553650 0.4696581 -0.0671681 -1.7137296 0.1071737 0.5512139 0.0275358 -2.0040837 35 O -1.8156733 0.0553650 0.4696581 0.0671681 -1.7137296 -0.1071737 0.5512139 -0.0275358 -2.0040837 36 O -1.9285266 -0.0777981 0.5604122 -0.0472208 -1.5234251 0.0559202 0.5499210 0.0524355 -2.1195257 37 Zn 2.3408912 -0.1780597 0.0807055 -0.0044106 2.3613038 0.3766238 0.0769859 0.2412267 2.3587435 38 Zn 2.3408912 0.1780597 0.0807055 0.0044106 2.3613038 -0.3766238 0.0769859 -0.2412267 2.3587435 39 Zn 2.3408912 -0.1780597 0.0807055 -0.0044106 2.3613038 0.3766238 0.0769859 0.2412267 2.3587435 40 Zn 2.3408912 0.1780597 0.0807055 0.0044106 2.3613038 -0.3766238 0.0769859 -0.2412267 2.3587435 41 Zn 2.2920094 -0.2903589 -0.1540618 -0.1483772 1.9818383 0.0436013 -0.0180573 -0.0944761 2.0388229 42 Zn 2.2920094 0.2903589 -0.1540618 0.1483772 1.9818383 -0.0436013 -0.0180573 0.0944761 2.0388229 43 Zn 2.2920094 -0.2903589 -0.1540618 -0.1483772 1.9818383 0.0436013 -0.0180573 -0.0944761 2.0388229 44 Zn 2.2920094 0.2903589 -0.1540618 0.1483772 1.9818383 -0.0436013 -0.0180573 0.0944761 2.0388229 45 Zn 2.5137993 0.0123961 -0.1295639 0.0392897 2.4285833 -0.0047402 -0.1750818 0.0384582 2.5368776 46 Zn 2.5137993 -0.0123961 -0.1295639 -0.0392897 2.4285833 0.0047402 -0.1750818 -0.0384582 2.5368776 47 Zn 2.5137993 0.0123961 -0.1295639 0.0392897 2.4285833 -0.0047402 -0.1750818 0.0384582 2.5368776 48 Zn 2.5137993 -0.0123961 -0.1295639 -0.0392897 2.4285833 0.0047402 -0.1750818 -0.0384582 2.5368776 49 Zn 2.4180183 -0.2147578 0.1094031 0.0650931 2.3830019 0.2883927 -0.0195061 0.3459053 2.1663560 50 Zn 2.4180183 0.2147578 0.1094031 -0.0650931 2.3830019 -0.2883927 -0.0195061 -0.3459053 2.1663560 51 Zn 2.4180183 -0.2147578 0.1094031 0.0650931 2.3830019 0.2883927 -0.0195061 0.3459053 2.1663560 52 Zn 2.4180183 0.2147578 0.1094031 -0.0650931 2.3830019 -0.2883927 -0.0195061 -0.3459053 2.1663560 53 As 3.7574691 0.2803896 0.1140075 0.1613887 3.7729094 0.1065382 0.1919629 0.0491066 3.6467019 54 As 3.7574691 -0.2803896 0.1140075 -0.1613887 3.7729094 -0.1065382 0.1919629 -0.0491066 3.6467019 55 As 3.7574691 0.2803896 0.1140075 0.1613887 3.7729094 0.1065382 0.1919629 0.0491066 3.6467019 56 As 3.7574691 -0.2803896 0.1140075 -0.1613887 3.7729094 -0.1065382 0.1919629 -0.0491066 3.6467019 57 As 3.7817426 -0.0049177 0.0681898 0.1854110 3.2665106 0.2081079 0.0739156 -0.0725574 3.4865142 58 As 3.7817426 0.0049177 0.0681898 -0.1854110 3.2665106 -0.2081079 0.0739156 0.0725574 3.4865142 59 As 3.7817426 -0.0049177 0.0681898 0.1854110 3.2665106 0.2081079 0.0739156 -0.0725574 3.4865142 60 As 3.7817426 0.0049177 0.0681898 -0.1854110 3.2665106 -0.2081079 0.0739156 0.0725574 3.4865142 ---------------------------------------------------------------------------- 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 29, 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 41, 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 73, 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 89, 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Computing fc3[ 113, 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] [-0.0052 0.0000 0.0086] [ 0.0052 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:10:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:10:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.762734610314398 0.000000000000000 0.000000000000000 b 0.000000000000000 8.215025949999999 0.000000000000000 c -5.392187016676881 0.000000000000000 8.958602175748153 Atomic positions (fractional): 1 O 0.74354485758993 0.66612864558317 0.38530732915859 15.999 2 O 0.25645514241007 0.16612864558317 0.11469267084141 15.999 3 O 0.25645514241007 0.33387135441683 0.61469267084141 15.999 4 O 0.74354485758993 0.83387135441683 0.88530732915859 15.999 5 O 0.45600520745491 0.51705405414316 0.19351406329890 15.999 6 O 0.54399479254509 0.01705405414316 0.30648593670109 15.999 7 O 0.54399479254509 0.48294594585684 0.80648593670110 15.999 8 O 0.45600520745491 0.98294594585684 0.69351406329890 15.999 9 O 0.50447354267102 0.32609562997735 0.49130401858212 15.999 10 O 0.49552645732898 0.82609562997735 0.00869598141788 15.999 11 O 0.49552645732898 0.67390437002265 0.50869598141788 15.999 12 O 0.50447354267102 0.17390437002264 0.99130401858212 15.999 13 O 0.02428473326003 0.50068479810162 0.63641960223616 15.999 14 O 0.97571526673997 0.00068479810162 0.86358039776384 15.999 15 O 0.67640615092313 0.52449652900067 0.11253956513614 15.999 16 O 0.97571526673997 0.49931520189838 0.36358039776384 15.999 17 O 0.05489685095768 0.34110155959378 0.88486606038881 15.999 18 O 0.94510314904232 0.84110155959378 0.61513393961119 15.999 19 O 0.94510314904232 0.65889844040622 0.11513393961119 15.999 20 O 0.05489685095768 0.15889844040622 0.38486606038881 15.999 21 O 0.80664513293814 0.57267640266078 0.71533960934338 15.999 22 O 0.19335486706186 0.07267640266078 0.78466039065662 15.999 23 O 0.19335486706186 0.42732359733922 0.28466039065662 15.999 24 O 0.80664513293814 0.92732359733922 0.21533960934338 15.999 25 O 0.72352150296049 0.17928367619628 0.84700900895017 15.999 26 O 0.27647849703951 0.67928367619628 0.65299099104983 15.999 27 O 0.27647849703951 0.82071632380372 0.15299099104983 15.999 28 O 0.72352150296049 0.32071632380372 0.34700900895017 15.999 29 O 0.10616368047749 0.82898734565452 0.40548587159853 15.999 30 O 0.89383631952250 0.32898734565452 0.09451412840147 15.999 31 O 0.89383631952250 0.17101265434548 0.59451412840147 15.999 32 O 0.10616368047749 0.67101265434548 0.90548587159853 15.999 33 O 0.67640615092313 0.97550347099933 0.61253956513613 15.999 34 O 0.32359384907687 0.47550347099933 0.88746043486387 15.999 35 O 0.32359384907687 0.02449652900067 0.38746043486386 15.999 36 O 0.02428473326003 0.99931520189838 0.13641960223616 15.999 37 Zn 0.65261656641153 0.31828636813817 0.97614659479201 65.380 38 Zn 0.34738343358847 0.81828636813817 0.52385340520799 65.380 39 Zn 0.34738343358847 0.68171363186183 0.02385340520799 65.380 40 Zn 0.65261656641153 0.18171363186183 0.47614659479201 65.380 41 Zn 0.60003806099569 0.02041920449094 0.15467475454804 65.380 42 Zn 0.39996193900431 0.52041920449094 0.34532524545197 65.380 43 Zn 0.39996193900431 0.97958079550906 0.84532524545196 65.380 44 Zn 0.60003806099569 0.47958079550906 0.65467475454804 65.380 45 Zn 0.01416041367201 0.69360207466154 0.50438807090941 65.380 46 Zn 0.98583958632799 0.19360207466154 0.99561192909059 65.380 47 Zn 0.98583958632799 0.30639792533846 0.49561192909059 65.380 48 Zn 0.01416041367201 0.80639792533846 0.00438807090941 65.380 49 Zn 0.70719407834861 0.75564291551696 0.54373116429623 65.380 50 Zn 0.29280592165139 0.25564291551696 0.95626883570377 65.380 51 Zn 0.29280592165139 0.24435708448304 0.45626883570378 65.380 52 Zn 0.70719407834861 0.74435708448304 0.04373116429622 65.380 53 As 0.00031849088412 0.98353618338297 0.28535906576019 74.922 54 As 0.99968150911588 0.48353618338297 0.21464093423981 74.922 55 As 0.99968150911588 0.01646381661702 0.71464093423981 74.922 56 As 0.00031849088412 0.51646381661703 0.78535906576019 74.922 57 As 0.66102901456282 0.99409026359834 0.76666590818113 74.922 58 As 0.33897098543718 0.49409026359834 0.73333409181887 74.922 59 As 0.33897098543718 0.00590973640166 0.23333409181887 74.922 60 As 0.66102901456282 0.50590973640166 0.26666590818113 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.762734610314398 0.000000000000000 0.000000000000000 b 0.000000000000000 16.430051899999999 0.000000000000000 c -5.392187016676881 0.000000000000000 8.958602175748153 Atomic positions (fractional): 1 O 0.74354485758993 0.33306432279158 0.38530732915859 15.999 > 1 2 O 0.74354485758993 0.83306432279158 0.38530732915859 15.999 > 1 3 O 0.25645514241007 0.08306432279158 0.11469267084141 15.999 > 3 4 O 0.25645514241007 0.58306432279158 0.11469267084141 15.999 > 3 5 O 0.25645514241007 0.16693567720842 0.61469267084141 15.999 > 5 6 O 0.25645514241007 0.66693567720842 0.61469267084141 15.999 > 5 7 O 0.74354485758993 0.41693567720842 0.88530732915859 15.999 > 7 8 O 0.74354485758993 0.91693567720842 0.88530732915859 15.999 > 7 9 O 0.45600520745491 0.25852702707158 0.19351406329890 15.999 > 9 10 O 0.45600520745491 0.75852702707158 0.19351406329890 15.999 > 9 11 O 0.54399479254509 0.00852702707158 0.30648593670109 15.999 > 11 12 O 0.54399479254509 0.50852702707158 0.30648593670109 15.999 > 11 13 O 0.54399479254509 0.24147297292842 0.80648593670110 15.999 > 13 14 O 0.54399479254509 0.74147297292842 0.80648593670110 15.999 > 13 15 O 0.45600520745491 0.49147297292842 0.69351406329890 15.999 > 15 16 O 0.45600520745491 0.99147297292842 0.69351406329890 15.999 > 15 17 O 0.50447354267102 0.16304781498868 0.49130401858212 15.999 > 17 18 O 0.50447354267102 0.66304781498868 0.49130401858212 15.999 > 17 19 O 0.49552645732898 0.41304781498868 0.00869598141788 15.999 > 19 20 O 0.49552645732898 0.91304781498868 0.00869598141788 15.999 > 19 21 O 0.49552645732898 0.33695218501132 0.50869598141788 15.999 > 21 22 O 0.49552645732898 0.83695218501132 0.50869598141788 15.999 > 21 23 O 0.50447354267102 0.08695218501132 0.99130401858212 15.999 > 23 24 O 0.50447354267102 0.58695218501132 0.99130401858212 15.999 > 23 25 O 0.02428473326003 0.25034239905081 0.63641960223616 15.999 > 25 26 O 0.02428473326003 0.75034239905081 0.63641960223616 15.999 > 25 27 O 0.97571526673997 0.00034239905081 0.86358039776384 15.999 > 27 28 O 0.97571526673997 0.50034239905081 0.86358039776384 15.999 > 27 29 O 0.67640615092313 0.26224826450033 0.11253956513614 15.999 > 29 30 O 0.67640615092313 0.76224826450033 0.11253956513614 15.999 > 29 31 O 0.97571526673997 0.24965760094919 0.36358039776384 15.999 > 31 32 O 0.97571526673997 0.74965760094919 0.36358039776384 15.999 > 31 33 O 0.05489685095768 0.17055077979689 0.88486606038881 15.999 > 33 34 O 0.05489685095768 0.67055077979689 0.88486606038881 15.999 > 33 35 O 0.94510314904232 0.42055077979689 0.61513393961119 15.999 > 35 36 O 0.94510314904232 0.92055077979689 0.61513393961119 15.999 > 35 37 O 0.94510314904232 0.32944922020311 0.11513393961119 15.999 > 37 38 O 0.94510314904232 0.82944922020311 0.11513393961119 15.999 > 37 39 O 0.05489685095768 0.07944922020311 0.38486606038881 15.999 > 39 40 O 0.05489685095768 0.57944922020311 0.38486606038881 15.999 > 39 41 O 0.80664513293814 0.28633820133039 0.71533960934338 15.999 > 41 42 O 0.80664513293814 0.78633820133039 0.71533960934338 15.999 > 41 43 O 0.19335486706186 0.03633820133039 0.78466039065662 15.999 > 43 44 O 0.19335486706186 0.53633820133039 0.78466039065662 15.999 > 43 45 O 0.19335486706186 0.21366179866961 0.28466039065662 15.999 > 45 46 O 0.19335486706186 0.71366179866961 0.28466039065662 15.999 > 45 47 O 0.80664513293814 0.46366179866961 0.21533960934338 15.999 > 47 48 O 0.80664513293814 0.96366179866961 0.21533960934338 15.999 > 47 49 O 0.72352150296049 0.08964183809814 0.84700900895017 15.999 > 49 50 O 0.72352150296049 0.58964183809814 0.84700900895017 15.999 > 49 51 O 0.27647849703951 0.33964183809814 0.65299099104983 15.999 > 51 52 O 0.27647849703951 0.83964183809814 0.65299099104983 15.999 > 51 53 O 0.27647849703951 0.41035816190186 0.15299099104983 15.999 > 53 54 O 0.27647849703951 0.91035816190186 0.15299099104983 15.999 > 53 55 O 0.72352150296049 0.16035816190186 0.34700900895017 15.999 > 55 56 O 0.72352150296049 0.66035816190186 0.34700900895017 15.999 > 55 57 O 0.10616368047749 0.41449367282726 0.40548587159853 15.999 > 57 58 O 0.10616368047749 0.91449367282726 0.40548587159853 15.999 > 57 59 O 0.89383631952250 0.16449367282726 0.09451412840147 15.999 > 59 60 O 0.89383631952250 0.66449367282726 0.09451412840147 15.999 > 59 61 O 0.89383631952250 0.08550632717274 0.59451412840147 15.999 > 61 62 O 0.89383631952250 0.58550632717274 0.59451412840147 15.999 > 61 63 O 0.10616368047749 0.33550632717274 0.90548587159853 15.999 > 63 64 O 0.10616368047749 0.83550632717274 0.90548587159853 15.999 > 63 65 O 0.67640615092313 0.48775173549967 0.61253956513613 15.999 > 65 66 O 0.67640615092313 0.98775173549967 0.61253956513613 15.999 > 65 67 O 0.32359384907687 0.23775173549967 0.88746043486387 15.999 > 67 68 O 0.32359384907687 0.73775173549967 0.88746043486387 15.999 > 67 69 O 0.32359384907687 0.01224826450033 0.38746043486386 15.999 > 69 70 O 0.32359384907687 0.51224826450033 0.38746043486386 15.999 > 69 71 O 0.02428473326003 0.49965760094919 0.13641960223616 15.999 > 71 72 O 0.02428473326003 0.99965760094919 0.13641960223616 15.999 > 71 73 Zn 0.65261656641153 0.15914318406909 0.97614659479201 65.380 > 73 74 Zn 0.65261656641153 0.65914318406909 0.97614659479201 65.380 > 73 75 Zn 0.34738343358847 0.40914318406909 0.52385340520799 65.380 > 75 76 Zn 0.34738343358847 0.90914318406909 0.52385340520799 65.380 > 75 77 Zn 0.34738343358847 0.34085681593091 0.02385340520799 65.380 > 77 78 Zn 0.34738343358847 0.84085681593091 0.02385340520799 65.380 > 77 79 Zn 0.65261656641153 0.09085681593091 0.47614659479201 65.380 > 79 80 Zn 0.65261656641153 0.59085681593091 0.47614659479201 65.380 > 79 81 Zn 0.60003806099569 0.01020960224547 0.15467475454804 65.380 > 81 82 Zn 0.60003806099569 0.51020960224547 0.15467475454804 65.380 > 81 83 Zn 0.39996193900431 0.26020960224547 0.34532524545197 65.380 > 83 84 Zn 0.39996193900431 0.76020960224547 0.34532524545197 65.380 > 83 85 Zn 0.39996193900431 0.48979039775453 0.84532524545196 65.380 > 85 86 Zn 0.39996193900431 0.98979039775453 0.84532524545196 65.380 > 85 87 Zn 0.60003806099569 0.23979039775453 0.65467475454804 65.380 > 87 88 Zn 0.60003806099569 0.73979039775453 0.65467475454804 65.380 > 87 89 Zn 0.01416041367201 0.34680103733077 0.50438807090941 65.380 > 89 90 Zn 0.01416041367201 0.84680103733077 0.50438807090941 65.380 > 89 91 Zn 0.98583958632799 0.09680103733077 0.99561192909059 65.380 > 91 92 Zn 0.98583958632799 0.59680103733077 0.99561192909059 65.380 > 91 93 Zn 0.98583958632799 0.15319896266923 0.49561192909059 65.380 > 93 94 Zn 0.98583958632799 0.65319896266923 0.49561192909059 65.380 > 93 95 Zn 0.01416041367201 0.40319896266923 0.00438807090941 65.380 > 95 96 Zn 0.01416041367201 0.90319896266923 0.00438807090941 65.380 > 95 97 Zn 0.70719407834861 0.37782145775848 0.54373116429623 65.380 > 97 98 Zn 0.70719407834861 0.87782145775848 0.54373116429623 65.380 > 97 99 Zn 0.29280592165139 0.12782145775848 0.95626883570377 65.380 > 99 100 Zn 0.29280592165139 0.62782145775848 0.95626883570377 65.380 > 99 101 Zn 0.29280592165139 0.12217854224152 0.45626883570378 65.380 > 101 102 Zn 0.29280592165139 0.62217854224152 0.45626883570378 65.380 > 101 103 Zn 0.70719407834861 0.37217854224152 0.04373116429622 65.380 > 103 104 Zn 0.70719407834861 0.87217854224152 0.04373116429622 65.380 > 103 105 As 0.00031849088412 0.49176809169149 0.28535906576019 74.922 > 105 106 As 0.00031849088412 0.99176809169149 0.28535906576019 74.922 > 105 107 As 0.99968150911588 0.24176809169149 0.21464093423981 74.922 > 107 108 As 0.99968150911588 0.74176809169149 0.21464093423981 74.922 > 107 109 As 0.99968150911588 0.00823190830851 0.71464093423981 74.922 > 109 110 As 0.99968150911588 0.50823190830851 0.71464093423981 74.922 > 109 111 As 0.00031849088412 0.25823190830851 0.78535906576019 74.922 > 111 112 As 0.00031849088412 0.75823190830851 0.78535906576019 74.922 > 111 113 As 0.66102901456282 0.49704513179917 0.76666590818113 74.922 > 113 114 As 0.66102901456282 0.99704513179917 0.76666590818113 74.922 > 113 115 As 0.33897098543718 0.24704513179917 0.73333409181887 74.922 > 115 116 As 0.33897098543718 0.74704513179917 0.73333409181887 74.922 > 115 117 As 0.33897098543718 0.00295486820083 0.23333409181887 74.922 > 117 118 As 0.33897098543718 0.50295486820083 0.23333409181887 74.922 > 117 119 As 0.66102901456282 0.25295486820083 0.26666590818113 74.922 > 119 120 As 0.66102901456282 0.75295486820083 0.26666590818113 74.922 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0166854 0.0000000 0.0080624 0.0000000 3.9496996 0.0000000 0.0080637 0.0000000 3.9390347 -------------------------- Born effective charges -------------------------- 1 O -1.6058686 0.0517632 0.0331047 0.0284175 -1.6872908 -0.6688636 0.0033228 -0.7933464 -1.9852264 2 O -1.6058686 -0.0517632 0.0331047 -0.0284175 -1.6872908 0.6688636 0.0033228 0.7933464 -1.9852264 3 O -1.6058686 0.0517632 0.0331047 0.0284175 -1.6872908 -0.6688636 0.0033228 -0.7933464 -1.9852264 4 O -1.6058686 -0.0517632 0.0331047 -0.0284175 -1.6872908 0.6688636 0.0033228 0.7933464 -1.9852264 5 O -2.3411213 0.1164735 -0.1041152 0.1427811 -1.3284619 0.2527299 -0.1688564 0.2388198 -1.9158322 6 O -2.3411213 -0.1164735 -0.1041152 -0.1427811 -1.3284619 -0.2527299 -0.1688564 -0.2388198 -1.9158322 7 O -2.3411213 0.1164735 -0.1041152 0.1427811 -1.3284619 0.2527299 -0.1688564 0.2388198 -1.9158322 8 O -2.3411213 -0.1164735 -0.1041152 -0.1427811 -1.3284619 -0.2527299 -0.1688564 -0.2388198 -1.9158322 9 O -1.9546009 0.1250898 -0.0772565 0.1461040 -2.0829177 -0.0482802 -0.0801239 -0.1272318 -1.6351331 10 O -1.9546009 -0.1250898 -0.0772565 -0.1461040 -2.0829177 0.0482802 -0.0801239 0.1272318 -1.6351331 11 O -1.9546009 0.1250898 -0.0772565 0.1461040 -2.0829177 -0.0482802 -0.0801239 -0.1272318 -1.6351331 12 O -1.9546009 -0.1250898 -0.0772565 -0.1461040 -2.0829177 0.0482802 -0.0801239 0.1272318 -1.6351331 13 O -1.9285266 0.0777981 0.5604122 0.0472208 -1.5234251 -0.0559202 0.5499210 -0.0524355 -2.1195257 14 O -1.9285266 -0.0777981 0.5604122 -0.0472208 -1.5234251 0.0559202 0.5499210 0.0524355 -2.1195257 15 O -1.8156733 -0.0553650 0.4696581 -0.0671681 -1.7137296 0.1071737 0.5512139 0.0275358 -2.0040837 16 O -1.9285266 0.0777981 0.5604122 0.0472208 -1.5234251 -0.0559202 0.5499210 -0.0524355 -2.1195257 17 O -1.5849769 -0.0607973 0.0619214 0.0190190 -2.3100861 0.7568982 0.0324007 0.7012794 -1.5641140 18 O -1.5849769 0.0607973 0.0619214 -0.0190190 -2.3100861 -0.7568982 0.0324007 -0.7012794 -1.5641140 19 O -1.5849769 -0.0607973 0.0619214 0.0190190 -2.3100861 0.7568982 0.0324007 0.7012794 -1.5641140 20 O -1.5849769 0.0607973 0.0619214 -0.0190190 -2.3100861 -0.7568982 0.0324007 -0.7012794 -1.5641140 21 O -2.5225274 0.1522686 -0.6707715 0.0590402 -1.4353461 0.2569584 -0.6903470 0.2268811 -1.5675244 22 O -2.5225274 -0.1522686 -0.6707715 -0.0590402 -1.4353461 -0.2569584 -0.6903470 -0.2268811 -1.5675244 23 O -2.5225274 0.1522686 -0.6707715 0.0590402 -1.4353461 0.2569584 -0.6903470 0.2268811 -1.5675244 24 O -2.5225274 -0.1522686 -0.6707715 -0.0590402 -1.4353461 -0.2569584 -0.6903470 -0.2268811 -1.5675244 25 O -1.5925064 0.1455974 -0.0795056 -0.0264771 -2.1505337 -0.6466540 -0.0758523 -0.4988070 -1.6118836 26 O -1.5925064 -0.1455974 -0.0795056 0.0264771 -2.1505337 0.6466540 -0.0758523 0.4988070 -1.6118836 27 O -1.5925064 0.1455974 -0.0795056 -0.0264771 -2.1505337 -0.6466540 -0.0758523 -0.4988070 -1.6118836 28 O -1.5925064 -0.1455974 -0.0795056 0.0264771 -2.1505337 0.6466540 -0.0758523 0.4988070 -1.6118836 29 O -1.7581284 0.0007056 -0.2821276 -0.0582407 -1.9623564 0.7301345 -0.2518981 0.7049205 -1.8306929 30 O -1.7581284 -0.0007056 -0.2821276 0.0582407 -1.9623564 -0.7301345 -0.2518981 -0.7049205 -1.8306929 31 O -1.7581284 0.0007056 -0.2821276 -0.0582407 -1.9623564 0.7301345 -0.2518981 0.7049205 -1.8306929 32 O -1.7581284 -0.0007056 -0.2821276 0.0582407 -1.9623564 -0.7301345 -0.2518981 -0.7049205 -1.8306929 33 O -1.8156733 0.0553650 0.4696581 0.0671681 -1.7137296 -0.1071737 0.5512139 -0.0275358 -2.0040837 34 O -1.8156733 -0.0553650 0.4696581 -0.0671681 -1.7137296 0.1071737 0.5512139 0.0275358 -2.0040837 35 O -1.8156733 0.0553650 0.4696581 0.0671681 -1.7137296 -0.1071737 0.5512139 -0.0275358 -2.0040837 36 O -1.9285266 -0.0777981 0.5604122 -0.0472208 -1.5234251 0.0559202 0.5499210 0.0524355 -2.1195257 37 Zn 2.3408912 -0.1780597 0.0807055 -0.0044106 2.3613038 0.3766238 0.0769859 0.2412267 2.3587435 38 Zn 2.3408912 0.1780597 0.0807055 0.0044106 2.3613038 -0.3766238 0.0769859 -0.2412267 2.3587435 39 Zn 2.3408912 -0.1780597 0.0807055 -0.0044106 2.3613038 0.3766238 0.0769859 0.2412267 2.3587435 40 Zn 2.3408912 0.1780597 0.0807055 0.0044106 2.3613038 -0.3766238 0.0769859 -0.2412267 2.3587435 41 Zn 2.2920094 -0.2903589 -0.1540618 -0.1483772 1.9818383 0.0436013 -0.0180573 -0.0944761 2.0388229 42 Zn 2.2920094 0.2903589 -0.1540618 0.1483772 1.9818383 -0.0436013 -0.0180573 0.0944761 2.0388229 43 Zn 2.2920094 -0.2903589 -0.1540618 -0.1483772 1.9818383 0.0436013 -0.0180573 -0.0944761 2.0388229 44 Zn 2.2920094 0.2903589 -0.1540618 0.1483772 1.9818383 -0.0436013 -0.0180573 0.0944761 2.0388229 45 Zn 2.5137993 0.0123961 -0.1295639 0.0392897 2.4285833 -0.0047402 -0.1750818 0.0384582 2.5368776 46 Zn 2.5137993 -0.0123961 -0.1295639 -0.0392897 2.4285833 0.0047402 -0.1750818 -0.0384582 2.5368776 47 Zn 2.5137993 0.0123961 -0.1295639 0.0392897 2.4285833 -0.0047402 -0.1750818 0.0384582 2.5368776 48 Zn 2.5137993 -0.0123961 -0.1295639 -0.0392897 2.4285833 0.0047402 -0.1750818 -0.0384582 2.5368776 49 Zn 2.4180183 -0.2147578 0.1094031 0.0650931 2.3830019 0.2883927 -0.0195061 0.3459053 2.1663560 50 Zn 2.4180183 0.2147578 0.1094031 -0.0650931 2.3830019 -0.2883927 -0.0195061 -0.3459053 2.1663560 51 Zn 2.4180183 -0.2147578 0.1094031 0.0650931 2.3830019 0.2883927 -0.0195061 0.3459053 2.1663560 52 Zn 2.4180183 0.2147578 0.1094031 -0.0650931 2.3830019 -0.2883927 -0.0195061 -0.3459053 2.1663560 53 As 3.7574691 0.2803896 0.1140075 0.1613887 3.7729094 0.1065382 0.1919629 0.0491066 3.6467019 54 As 3.7574691 -0.2803896 0.1140075 -0.1613887 3.7729094 -0.1065382 0.1919629 -0.0491066 3.6467019 55 As 3.7574691 0.2803896 0.1140075 0.1613887 3.7729094 0.1065382 0.1919629 0.0491066 3.6467019 56 As 3.7574691 -0.2803896 0.1140075 -0.1613887 3.7729094 -0.1065382 0.1919629 -0.0491066 3.6467019 57 As 3.7817426 -0.0049177 0.0681898 0.1854110 3.2665106 0.2081079 0.0739156 -0.0725574 3.4865142 58 As 3.7817426 0.0049177 0.0681898 -0.1854110 3.2665106 -0.2081079 0.0739156 0.0725574 3.4865142 59 As 3.7817426 -0.0049177 0.0681898 0.1854110 3.2665106 0.2081079 0.0739156 -0.0725574 3.4865142 60 As 3.7817426 0.0049177 0.0681898 -0.1854110 3.2665106 -0.2081079 0.0739156 0.0725574 3.4865142 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 6 ] 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: 0.46, Number of G-points: 289, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 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 1.889 ( 0.000 0.000 0.000) 0.000 1.953 ( 0.000 0.000 0.000) 0.000 1.979 ( 0.000 0.000 0.000) 0.000 2.159 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.315 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.480 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.626 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.773 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.278 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 3.656 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.847 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.070 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.469 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 4.912 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.222 ( 0.000 0.000 0.000) 0.000 5.301 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 5.471 ( 0.000 0.000 0.000) 0.000 5.512 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 5.558 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.866 ( 0.000 0.000 0.000) 0.000 5.925 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.274 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.478 ( 0.000 0.000 0.000) 0.000 6.573 ( 0.000 0.000 0.000) 0.000 6.630 ( 0.000 0.000 0.000) 0.000 6.761 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 7.135 ( 0.000 0.000 0.000) 0.000 7.179 ( 0.000 0.000 0.000) 0.000 7.254 ( 0.000 0.000 0.000) 0.000 7.377 ( 0.000 0.000 0.000) 0.000 7.400 ( 0.000 0.000 0.000) 0.000 7.404 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 7.621 ( 0.000 0.000 0.000) 0.000 7.627 ( 0.000 0.000 0.000) 0.000 7.777 ( 0.000 0.000 0.000) 0.000 7.944 ( 0.000 0.000 0.000) 0.000 8.044 ( 0.000 0.000 0.000) 0.000 8.079 ( 0.000 0.000 0.000) 0.000 8.083 ( 0.000 0.000 0.000) 0.000 8.329 ( 0.000 0.000 0.000) 0.000 8.357 ( 0.000 0.000 0.000) 0.000 8.474 ( 0.000 0.000 0.000) 0.000 8.540 ( 0.000 0.000 0.000) 0.000 8.583 ( 0.000 0.000 0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.223 ( 0.000 0.000 0.000) 0.000 9.274 ( 0.000 0.000 0.000) 0.000 9.277 ( 0.000 0.000 0.000) 0.000 9.358 ( 0.000 0.000 0.000) 0.000 9.442 ( 0.000 0.000 0.000) 0.000 9.496 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 9.803 ( 0.000 0.000 0.000) 0.000 9.927 ( 0.000 0.000 0.000) 0.000 9.947 ( 0.000 0.000 0.000) 0.000 10.038 ( 0.000 0.000 0.000) 0.000 10.163 ( 0.000 0.000 0.000) 0.000 10.170 ( 0.000 0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 10.480 ( 0.000 0.000 0.000) 0.000 10.543 ( 0.000 0.000 0.000) 0.000 10.604 ( 0.000 0.000 0.000) 0.000 10.715 ( 0.000 0.000 0.000) 0.000 10.941 ( 0.000 0.000 0.000) 0.000 11.100 ( 0.000 0.000 0.000) 0.000 11.133 ( 0.000 0.000 0.000) 0.000 11.149 ( 0.000 0.000 0.000) 0.000 11.352 ( 0.000 0.000 0.000) 0.000 11.629 ( 0.000 0.000 0.000) 0.000 11.943 ( 0.000 0.000 0.000) 0.000 12.035 ( 0.000 0.000 0.000) 0.000 12.142 ( 0.000 0.000 0.000) 0.000 12.298 ( 0.000 0.000 0.000) 0.000 12.338 ( 0.000 0.000 0.000) 0.000 12.478 ( 0.000 0.000 0.000) 0.000 12.524 ( 0.000 0.000 0.000) 0.000 12.642 ( 0.000 0.000 0.000) 0.000 12.691 ( 0.000 0.000 0.000) 0.000 13.051 ( 0.000 0.000 0.000) 0.000 13.100 ( 0.000 0.000 0.000) 0.000 13.235 ( 0.000 0.000 0.000) 0.000 13.281 ( 0.000 0.000 0.000) 0.000 13.386 ( 0.000 0.000 0.000) 0.000 13.424 ( 0.000 0.000 0.000) 0.000 13.672 ( 0.000 0.000 0.000) 0.000 14.320 ( 0.000 0.000 0.000) 0.000 14.413 ( 0.000 0.000 0.000) 0.000 14.652 ( 0.000 0.000 0.000) 0.000 14.871 ( 0.000 0.000 0.000) 0.000 14.901 ( 0.000 0.000 0.000) 0.000 15.381 ( 0.000 0.000 0.000) 0.000 15.407 ( 0.000 0.000 0.000) 0.000 15.430 ( 0.000 0.000 0.000) 0.000 15.439 ( 0.000 0.000 0.000) 0.000 15.490 ( 0.000 0.000 0.000) 0.000 16.056 ( 0.000 0.000 0.000) 0.000 16.075 ( 0.000 0.000 0.000) 0.000 16.557 ( 0.000 0.000 0.000) 0.000 16.606 ( 0.000 0.000 0.000) 0.000 16.825 ( 0.000 0.000 0.000) 0.000 17.609 ( 0.000 0.000 0.000) 0.000 17.719 ( 0.000 0.000 0.000) 0.000 20.861 ( 0.000 0.000 0.000) 0.000 20.995 ( 0.000 0.000 0.000) 0.000 21.111 ( 0.000 0.000 0.000) 0.000 21.385 ( 0.000 0.000 0.000) 0.000 21.880 ( 0.000 0.000 0.000) 0.000 21.883 ( 0.000 0.000 0.000) 0.000 21.987 ( 0.000 0.000 0.000) 0.000 22.086 ( 0.000 0.000 0.000) 0.000 22.180 ( 0.000 0.000 0.000) 0.000 22.277 ( 0.000 0.000 0.000) 0.000 22.544 ( 0.000 0.000 0.000) 0.000 22.597 ( 0.000 0.000 0.000) 0.000 22.885 ( 0.000 0.000 0.000) 0.000 22.914 ( 0.000 0.000 0.000) 0.000 22.965 ( 0.000 0.000 0.000) 0.000 23.087 ( 0.000 0.000 0.000) 0.000 23.217 ( 0.000 0.000 0.000) 0.000 23.439 ( 0.000 0.000 0.000) 0.000 23.876 ( 0.000 0.000 0.000) 0.000 23.940 ( 0.000 0.000 0.000) 0.000 23.975 ( 0.000 0.000 0.000) 0.000 24.009 ( 0.000 0.000 0.000) 0.000 24.203 ( 0.000 0.000 0.000) 0.000 24.289 ( 0.000 0.000 0.000) 0.000 24.316 ( 0.000 0.000 0.000) 0.000 24.465 ( 0.000 0.000 0.000) 0.000 24.558 ( 0.000 0.000 0.000) 0.000 24.592 ( 0.000 0.000 0.000) 0.000 24.676 ( 0.000 0.000 0.000) 0.000 24.690 ( 0.000 0.000 0.000) 0.000 25.008 ( 0.000 0.000 0.000) 0.000 25.540 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 21.146 0.000 14.029) 25.377 0.540 ( 22.478 0.000 14.213) 26.595 1.022 ( 42.275 0.000 19.882) 46.717 1.699 ( -11.010 0.000 -17.137) 20.369 1.868 ( -5.925 0.000 -2.451) 6.412 2.010 ( -0.976 0.000 1.240) 1.579 2.109 ( -2.597 0.000 -4.877) 5.525 2.266 ( 2.177 0.000 -1.700) 2.763 2.275 ( -1.740 0.000 -1.670) 2.412 2.464 ( -0.341 0.000 -0.503) 0.607 2.472 ( 1.612 0.000 2.301) 2.810 2.502 ( -0.561 0.000 -2.532) 2.594 2.541 ( -5.455 0.000 -4.002) 6.765 2.633 ( -0.799 0.000 5.587) 5.644 2.811 ( 4.916 0.000 1.569) 5.160 2.837 ( -10.085 0.000 -6.571) 12.037 2.932 ( 7.254 0.000 4.750) 8.671 3.007 ( -5.356 0.000 -1.844) 5.665 3.077 ( -2.614 0.000 2.427) 3.567 3.227 ( 4.287 0.000 3.088) 5.283 3.228 ( -3.029 0.000 -1.343) 3.314 3.261 ( 3.006 0.000 3.608) 4.696 3.370 ( 0.711 0.000 1.352) 1.528 3.406 ( 1.370 0.000 -1.454) 1.998 3.436 ( 2.205 0.000 -4.761) 5.246 3.507 ( 3.622 0.000 -2.431) 4.362 3.525 ( 4.006 0.000 -12.636) 13.256 3.582 ( 9.026 0.000 1.801) 9.204 3.589 ( -0.497 0.000 5.213) 5.236 3.691 ( -1.718 0.000 -3.629) 4.015 3.728 ( 8.726 0.000 5.928) 10.549 3.738 ( 2.935 0.000 -2.537) 3.879 3.797 ( -3.464 0.000 0.529) 3.504 3.822 ( 1.268 0.000 -0.956) 1.588 3.838 ( -3.402 0.000 1.305) 3.644 3.947 ( 6.516 0.000 4.956) 8.187 4.032 ( -4.170 0.000 2.654) 4.943 4.077 ( 1.811 0.000 -1.364) 2.268 4.149 ( -3.865 0.000 1.165) 4.037 4.227 ( -2.332 0.000 -5.436) 5.915 4.283 ( -4.068 0.000 2.439) 4.743 4.343 ( 4.445 0.000 0.699) 4.500 4.344 ( -2.069 0.000 7.703) 7.976 4.376 ( -1.297 0.000 -0.540) 1.404 4.464 ( 7.260 0.000 7.692) 10.577 4.612 ( 0.097 0.000 5.012) 5.013 4.668 ( 6.270 0.000 2.409) 6.716 4.809 ( 2.804 0.000 -0.836) 2.926 4.819 ( -2.419 0.000 -5.890) 6.367 4.930 ( -0.296 0.000 0.234) 0.377 4.986 ( 7.518 0.000 -3.104) 8.133 5.104 ( 0.141 0.000 -1.114) 1.123 5.168 ( -2.666 0.000 -2.049) 3.362 5.278 ( -2.398 0.000 -3.538) 4.274 5.335 ( -1.280 0.000 -9.606) 9.691 5.434 ( -11.075 0.000 -3.082) 11.496 5.493 ( -0.536 0.000 -5.690) 5.715 5.623 ( 1.885 0.000 -3.533) 4.004 5.666 ( 3.237 0.000 -2.511) 4.097 5.771 ( 2.331 0.000 2.293) 3.270 5.845 ( -2.754 0.000 2.543) 3.748 5.875 ( -4.638 0.000 4.578) 6.517 6.207 ( -9.018 0.000 8.076) 12.105 6.229 ( -8.785 0.000 -0.359) 8.792 6.310 ( -5.855 0.000 3.251) 6.697 6.568 ( 1.776 0.000 0.948) 2.013 6.623 ( 4.506 0.000 5.191) 6.874 6.669 ( -4.664 0.000 -1.724) 4.973 6.706 ( 11.795 0.000 -5.031) 12.823 6.938 ( -1.039 0.000 1.370) 1.719 7.094 ( -5.960 0.000 1.771) 6.217 7.144 ( -19.252 0.000 28.942) 34.760 7.146 ( -1.727 0.000 1.685) 2.413 7.191 ( -12.945 0.000 13.075) 18.399 7.370 ( -0.550 0.000 5.624) 5.651 7.427 ( 2.256 0.000 -0.572) 2.328 7.431 ( -1.275 0.000 1.965) 2.343 7.574 ( 5.660 0.000 -4.163) 7.026 7.617 ( 1.520 0.000 -4.778) 5.014 7.753 ( 11.627 0.000 0.421) 11.635 7.858 ( -3.063 0.000 -5.505) 6.300 7.900 ( -6.587 0.000 -3.389) 7.407 8.011 ( 1.760 0.000 -2.225) 2.837 8.146 ( 2.724 0.000 4.706) 5.437 8.254 ( 6.766 0.000 -1.454) 6.921 8.376 ( 2.795 0.000 4.245) 5.083 8.381 ( -3.342 0.000 1.391) 3.620 8.538 ( 2.217 0.000 2.383) 3.255 8.601 ( 0.769 0.000 1.853) 2.006 8.715 ( 4.742 0.000 1.819) 5.079 9.047 ( 0.152 0.000 0.664) 0.681 9.141 ( -5.716 0.000 -5.059) 7.633 9.256 ( 3.264 0.000 -4.960) 5.937 9.301 ( -4.071 0.000 -2.654) 4.859 9.409 ( 0.485 0.000 2.904) 2.944 9.468 ( -6.508 0.000 9.889) 11.838 9.497 ( -0.321 0.000 0.081) 0.331 9.707 ( 0.463 0.000 -6.514) 6.531 9.818 ( 2.265 0.000 -2.191) 3.152 9.910 ( -2.361 0.000 -3.019) 3.832 9.976 ( 4.741 0.000 -0.260) 4.748 10.141 ( 6.449 0.000 -8.468) 10.645 10.161 ( 0.061 0.000 -0.220) 0.228 10.205 ( 1.320 0.000 3.934) 4.150 10.444 ( -5.358 0.000 1.526) 5.571 10.475 ( -2.728 0.000 1.633) 3.179 10.570 ( -3.521 0.000 2.160) 4.130 10.582 ( -1.156 0.000 4.217) 4.373 10.743 ( 2.234 0.000 0.585) 2.309 10.920 ( -2.482 0.000 0.480) 2.528 11.034 ( -7.104 0.000 0.228) 7.107 11.038 ( -4.860 0.000 -0.580) 4.895 11.229 ( 3.102 0.000 4.982) 5.869 11.413 ( 3.967 0.000 2.629) 4.759 11.557 ( -6.533 0.000 -1.683) 6.746 12.011 ( -3.813 0.000 -0.162) 3.816 12.026 ( -7.152 0.000 -4.038) 8.213 12.209 ( 0.106 0.000 -2.878) 2.880 12.301 ( -0.463 0.000 4.381) 4.405 12.353 ( 2.597 0.000 -4.883) 5.531 12.547 ( 6.384 0.000 -1.598) 6.581 12.562 ( 4.672 0.000 -0.716) 4.726 12.655 ( 2.345 0.000 -0.245) 2.358 13.018 ( 0.346 0.000 -5.072) 5.084 13.022 ( -5.469 0.000 0.873) 5.538 13.188 ( 9.580 0.000 -15.536) 18.252 13.286 ( -3.011 0.000 1.424) 3.331 13.332 ( 6.809 0.000 0.217) 6.812 13.417 ( 3.195 0.000 4.207) 5.283 13.470 ( 2.134 0.000 4.500) 4.980 13.737 ( 6.451 0.000 0.610) 6.480 14.196 ( -7.650 0.000 -4.676) 8.966 14.557 ( -6.900 0.000 -3.422) 7.702 14.560 ( 5.491 0.000 5.981) 8.119 14.881 ( -2.657 0.000 -3.251) 4.199 15.273 ( -2.126 0.000 -8.216) 8.487 15.349 ( 1.807 0.000 -0.794) 1.974 15.438 ( 1.677 0.000 -3.273) 3.678 15.484 ( 1.758 0.000 4.206) 4.558 15.590 ( 4.967 0.000 5.094) 7.115 15.930 ( 11.014 0.000 -19.202) 22.136 16.057 ( 0.402 0.000 -0.516) 0.654 16.077 ( 0.761 0.000 -1.215) 1.434 16.550 ( 1.128 0.000 -2.586) 2.821 16.616 ( -0.233 0.000 1.840) 1.855 16.867 ( -1.850 0.000 1.935) 2.677 17.612 ( 0.162 0.000 0.272) 0.317 17.715 ( -0.316 0.000 -0.020) 0.317 20.875 ( 1.309 0.000 0.329) 1.350 20.991 ( -0.057 0.000 -0.523) 0.526 21.114 ( 0.480 0.000 -0.222) 0.529 21.852 ( 0.300 0.000 -4.358) 4.368 21.888 ( 0.517 0.000 0.661) 0.839 21.968 ( 3.248 0.000 -0.568) 3.297 22.065 ( -1.256 0.000 -1.478) 1.940 22.129 ( 18.819 0.000 -30.156) 35.546 22.168 ( -0.809 0.000 -0.808) 1.143 22.425 ( -7.312 0.000 2.412) 7.700 22.610 ( 1.471 0.000 3.845) 4.117 22.837 ( -25.062 0.000 36.831) 44.549 22.884 ( 1.043 0.000 -2.808) 2.996 22.927 ( 1.169 0.000 1.351) 1.786 22.990 ( -0.317 0.000 5.186) 5.195 23.140 ( 2.344 0.000 5.792) 6.248 23.382 ( 6.925 0.000 -19.483) 20.678 23.428 ( -0.201 0.000 -1.624) 1.637 23.877 ( -0.910 0.000 1.025) 1.371 23.978 ( 1.387 0.000 3.677) 3.929 24.004 ( 2.472 0.000 1.708) 3.005 24.019 ( -0.049 0.000 2.348) 2.348 24.194 ( -2.177 0.000 2.064) 2.999 24.283 ( 1.462 0.000 -4.018) 4.276 24.312 ( -0.372 0.000 -0.224) 0.435 24.479 ( 1.218 0.000 0.168) 1.230 24.580 ( -0.934 0.000 -0.330) 0.990 24.671 ( -0.869 0.000 -2.012) 2.191 24.696 ( 1.625 0.000 0.983) 1.900 24.890 ( -1.731 0.000 -0.022) 1.731 25.254 ( -4.755 0.000 6.692) 8.209 25.514 ( -2.815 0.000 -0.029) 2.815 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 20.460 0.000 13.651) 24.596 1.045 ( 19.889 0.000 12.508) 23.495 1.280 ( -12.286 0.000 -18.561) 22.259 1.675 ( 16.594 0.000 0.623) 16.605 1.747 ( -5.657 0.000 1.212) 5.786 1.893 ( -11.793 0.000 -1.371) 11.873 1.927 ( -11.972 0.000 -8.837) 14.881 2.189 ( -4.355 0.000 -1.412) 4.578 2.346 ( -4.904 0.000 1.302) 5.074 2.482 ( 0.309 0.000 -3.038) 3.054 2.484 ( 0.966 0.000 3.203) 3.345 2.525 ( 4.320 0.000 0.158) 4.323 2.535 ( 17.539 0.000 5.675) 18.435 2.709 ( 2.673 0.000 3.686) 4.554 2.738 ( 1.955 0.000 0.007) 1.955 2.901 ( 6.404 0.000 -2.385) 6.834 3.012 ( 4.986 0.000 2.354) 5.514 3.050 ( 1.533 0.000 -0.175) 1.543 3.085 ( 2.414 0.000 1.293) 2.738 3.171 ( -1.911 0.000 -0.618) 2.009 3.279 ( 0.182 0.000 0.813) 0.833 3.281 ( -4.869 0.000 -4.484) 6.619 3.318 ( -0.809 0.000 -4.624) 4.694 3.371 ( -1.981 0.000 -0.197) 1.991 3.443 ( 1.192 0.000 -1.460) 1.885 3.451 ( 4.218 0.000 -4.091) 5.876 3.534 ( -0.671 0.000 2.548) 2.635 3.570 ( -8.666 0.000 -1.491) 8.793 3.635 ( -1.624 0.000 3.101) 3.500 3.681 ( 1.214 0.000 1.487) 1.920 3.737 ( -2.078 0.000 -1.717) 2.696 3.783 ( 2.068 0.000 -0.572) 2.146 3.843 ( 7.055 0.000 -1.802) 7.282 3.918 ( 2.533 0.000 -1.415) 2.902 3.933 ( 1.458 0.000 -2.220) 2.656 3.997 ( -2.273 0.000 5.258) 5.728 4.104 ( 4.959 0.000 6.594) 8.250 4.111 ( -1.474 0.000 2.389) 2.807 4.131 ( 1.063 0.000 3.528) 3.684 4.170 ( -3.681 0.000 -3.022) 4.762 4.180 ( 2.241 0.000 4.186) 4.748 4.319 ( 0.461 0.000 -6.749) 6.765 4.410 ( 1.265 0.000 7.517) 7.622 4.491 ( 6.373 0.000 2.239) 6.755 4.602 ( -1.622 0.000 0.522) 1.704 4.611 ( 0.776 0.000 2.912) 3.014 4.789 ( 5.096 0.000 0.290) 5.104 4.817 ( 5.365 0.000 4.509) 7.008 4.871 ( 3.705 0.000 -0.906) 3.814 4.953 ( 1.882 0.000 1.390) 2.340 5.038 ( -1.571 0.000 -7.555) 7.716 5.043 ( -14.130 0.000 -7.764) 16.123 5.083 ( 5.098 0.000 -2.630) 5.737 5.135 ( -3.265 0.000 1.484) 3.587 5.232 ( -0.902 0.000 -13.153) 13.184 5.279 ( -4.629 0.000 1.495) 4.864 5.417 ( 1.538 0.000 -1.706) 2.296 5.598 ( 2.171 0.000 -4.160) 4.692 5.693 ( 1.808 0.000 -0.595) 1.903 5.753 ( -11.137 0.000 0.586) 11.152 5.837 ( 1.320 0.000 2.725) 3.028 5.857 ( -8.343 0.000 4.080) 9.287 6.062 ( -2.258 0.000 2.186) 3.143 6.143 ( -1.748 0.000 0.269) 1.769 6.296 ( -4.384 0.000 1.891) 4.775 6.580 ( -3.139 0.000 -1.937) 3.689 6.621 ( 4.407 0.000 -0.331) 4.419 6.711 ( 0.085 0.000 3.911) 3.912 6.848 ( 4.788 0.000 4.332) 6.457 6.917 ( -0.376 0.000 -0.632) 0.735 6.989 ( -7.039 0.000 1.105) 7.125 7.085 ( -2.236 0.000 -4.391) 4.927 7.127 ( -11.161 0.000 15.684) 19.250 7.211 ( 4.531 0.000 5.175) 6.878 7.398 ( -0.714 0.000 2.187) 2.301 7.401 ( -1.638 0.000 -0.694) 1.779 7.512 ( 2.493 0.000 -2.111) 3.267 7.577 ( 2.565 0.000 -3.248) 4.139 7.619 ( 3.406 0.000 -3.499) 4.883 7.746 ( -4.890 0.000 -3.379) 5.944 7.797 ( -3.514 0.000 2.098) 4.093 7.960 ( 10.192 0.000 1.721) 10.337 8.043 ( 5.180 0.000 -2.323) 5.677 8.206 ( -1.290 0.000 2.962) 3.231 8.239 ( -4.265 0.000 0.901) 4.359 8.439 ( 4.558 0.000 -1.178) 4.708 8.483 ( 2.695 0.000 4.508) 5.252 8.626 ( -0.282 0.000 0.678) 0.734 8.652 ( 5.004 0.000 5.479) 7.421 8.719 ( -1.711 0.000 -1.922) 2.574 8.945 ( -4.833 0.000 -5.271) 7.151 9.099 ( 1.408 0.000 1.649) 2.169 9.192 ( -4.592 0.000 -2.922) 5.443 9.289 ( 2.587 0.000 -2.937) 3.914 9.433 ( -1.387 0.000 5.249) 5.430 9.476 ( -0.743 0.000 -2.097) 2.225 9.484 ( 1.251 0.000 1.973) 2.336 9.665 ( 1.030 0.000 -3.844) 3.980 9.817 ( -3.616 0.000 -3.928) 5.339 9.830 ( 1.198 0.000 -1.363) 1.815 10.054 ( 4.671 0.000 -1.122) 4.804 10.162 ( 1.064 0.000 -0.952) 1.427 10.179 ( 4.954 0.000 -3.844) 6.270 10.278 ( 1.317 0.000 4.600) 4.785 10.366 ( -5.506 0.000 1.454) 5.695 10.402 ( -3.653 0.000 -2.056) 4.192 10.567 ( -1.462 0.000 3.573) 3.860 10.570 ( -2.692 0.000 0.964) 2.860 10.785 ( 1.034 0.000 1.546) 1.860 10.880 ( -2.651 0.000 1.149) 2.889 10.938 ( -4.294 0.000 0.918) 4.391 10.970 ( -2.150 0.000 -0.521) 2.212 11.303 ( -3.498 0.000 3.261) 4.783 11.463 ( 1.878 0.000 -0.606) 1.973 11.519 ( 5.024 0.000 2.823) 5.762 11.845 ( -8.567 0.000 -3.303) 9.182 11.906 ( -7.351 0.000 -0.085) 7.352 12.184 ( -0.486 0.000 -0.994) 1.106 12.326 ( -0.932 0.000 -0.838) 1.253 12.348 ( 2.013 0.000 -0.704) 2.132 12.597 ( 1.444 0.000 -1.014) 1.764 12.642 ( 4.393 0.000 -0.218) 4.398 12.741 ( 7.667 0.000 -1.310) 7.778 12.945 ( -6.544 0.000 3.659) 7.497 12.988 ( 1.550 0.000 -3.388) 3.726 13.177 ( 3.494 0.000 -7.399) 8.183 13.219 ( -3.795 0.000 -0.920) 3.905 13.450 ( 4.893 0.000 1.248) 5.049 13.548 ( 4.335 0.000 5.237) 6.798 13.565 ( 2.848 0.000 4.451) 5.284 13.875 ( 7.715 0.000 1.361) 7.834 14.034 ( -5.070 0.000 -4.690) 6.906 14.399 ( -6.821 0.000 -2.945) 7.430 14.690 ( 3.856 0.000 3.319) 5.088 14.750 ( -5.543 0.000 -5.126) 7.550 15.166 ( -2.638 0.000 -3.840) 4.659 15.416 ( 3.976 0.000 1.629) 4.296 15.432 ( 0.451 0.000 -1.304) 1.380 15.530 ( -0.212 0.000 1.956) 1.968 15.712 ( 4.058 0.000 2.553) 4.795 15.925 ( 3.289 0.000 -5.143) 6.105 16.060 ( 0.484 0.000 -0.444) 0.656 16.070 ( -0.125 0.000 -1.272) 1.278 16.549 ( 1.476 0.000 -2.032) 2.512 16.626 ( -0.530 0.000 1.210) 1.321 16.854 ( -0.932 0.000 0.432) 1.027 17.618 ( 0.157 0.000 0.270) 0.312 17.709 ( -0.326 0.000 -0.021) 0.327 20.904 ( 1.362 0.000 0.348) 1.405 20.984 ( -0.067 0.000 -0.523) 0.528 21.121 ( 0.524 0.000 -0.230) 0.572 21.819 ( -0.149 0.000 -2.224) 2.229 21.908 ( 0.729 0.000 0.930) 1.182 22.014 ( 0.657 0.000 2.404) 2.492 22.023 ( -1.455 0.000 -1.645) 2.196 22.144 ( -0.727 0.000 -0.809) 1.088 22.151 ( 10.348 0.000 -13.897) 17.327 22.328 ( -6.489 0.000 1.883) 6.757 22.655 ( 1.348 0.000 0.191) 1.361 22.788 ( -9.907 0.000 12.549) 15.988 22.867 ( 0.416 0.000 -2.260) 2.298 22.969 ( 1.561 0.000 1.254) 2.002 23.059 ( -0.216 0.000 9.026) 9.028 23.259 ( 2.357 0.000 7.534) 7.894 23.280 ( 2.002 0.000 -14.522) 14.659 23.407 ( 0.869 0.000 -2.934) 3.060 23.860 ( -1.298 0.000 -0.376) 1.351 24.013 ( 0.404 0.000 0.292) 0.499 24.077 ( 0.983 0.000 5.888) 5.970 24.079 ( 2.650 0.000 2.878) 3.913 24.181 ( -2.796 0.000 4.336) 5.160 24.255 ( 2.109 0.000 -7.249) 7.550 24.297 ( -0.601 0.000 -0.985) 1.154 24.497 ( 0.504 0.000 -0.085) 0.511 24.565 ( -0.332 0.000 -0.018) 0.333 24.630 ( -1.082 0.000 -1.995) 2.270 24.739 ( 1.726 0.000 1.054) 2.022 24.854 ( -1.571 0.000 -0.876) 1.799 25.240 ( -2.017 0.000 2.172) 2.965 25.458 ( -3.030 0.000 -0.092) 3.032 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.000 0.000 0.000) 0.000 1.375 ( 0.000 0.000 0.000) 0.000 1.385 ( 0.000 0.000 0.000) 0.000 1.635 ( -0.000 0.000 -0.000) 0.000 1.647 ( 0.000 0.000 -0.000) 0.000 1.705 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 2.146 ( 0.000 0.000 0.000) 0.000 2.302 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 3.003 ( 0.000 0.000 -0.000) 0.000 3.006 ( -0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.326 ( -0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 -0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 -0.000) 0.000 3.435 ( -0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 -0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.624 ( 0.000 0.000 -0.000) 0.000 3.692 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.793 ( -0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 -0.000) 0.000 3.912 ( 0.000 0.000 -0.000) 0.000 3.949 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.020 ( -0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 -0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.284 ( -0.000 0.000 -0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 -0.000) 0.000 4.737 ( -0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.954 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 4.996 ( -0.000 0.000 -0.000) 0.000 5.032 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.259 ( 0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.559 ( -0.000 0.000 0.000) 0.000 5.609 ( -0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 -0.000) 0.000 6.138 ( 0.000 0.000 0.000) 0.000 6.234 ( 0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 6.684 ( 0.000 0.000 0.000) 0.000 6.713 ( 0.000 0.000 0.000) 0.000 6.908 ( 0.000 0.000 -0.000) 0.000 6.922 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 7.038 ( 0.000 0.000 0.000) 0.000 7.113 ( 0.000 0.000 -0.000) 0.000 7.367 ( 0.000 0.000 0.000) 0.000 7.374 ( -0.000 0.000 -0.000) 0.000 7.383 ( 0.000 0.000 0.000) 0.000 7.428 ( 0.000 0.000 -0.000) 0.000 7.627 ( 0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 0.000) 0.000 7.680 ( 0.000 0.000 0.000) 0.000 7.780 ( 0.000 0.000 0.000) 0.000 8.089 ( 0.000 0.000 0.000) 0.000 8.106 ( 0.000 0.000 -0.000) 0.000 8.180 ( 0.000 0.000 0.000) 0.000 8.186 ( -0.000 0.000 0.000) 0.000 8.470 ( 0.000 0.000 0.000) 0.000 8.520 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.664 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.891 ( 0.000 0.000 0.000) 0.000 9.117 ( 0.000 0.000 -0.000) 0.000 9.137 ( 0.000 0.000 0.000) 0.000 9.278 ( 0.000 0.000 0.000) 0.000 9.451 ( 0.000 0.000 0.000) 0.000 9.454 ( 0.000 0.000 0.000) 0.000 9.525 ( 0.000 0.000 0.000) 0.000 9.656 ( 0.000 0.000 0.000) 0.000 9.750 ( 0.000 0.000 0.000) 0.000 9.832 ( 0.000 0.000 0.000) 0.000 10.093 ( 0.000 0.000 0.000) 0.000 10.169 ( 0.000 0.000 0.000) 0.000 10.214 ( 0.000 0.000 0.000) 0.000 10.309 ( 0.000 0.000 0.000) 0.000 10.311 ( 0.000 0.000 0.000) 0.000 10.366 ( 0.000 0.000 0.000) 0.000 10.545 ( 0.000 0.000 0.000) 0.000 10.571 ( 0.000 0.000 0.000) 0.000 10.803 ( 0.000 0.000 -0.000) 0.000 10.863 ( 0.000 0.000 -0.000) 0.000 10.907 ( 0.000 0.000 0.000) 0.000 10.950 ( 0.000 0.000 0.000) 0.000 11.255 ( 0.000 0.000 0.000) 0.000 11.527 ( 0.000 0.000 0.000) 0.000 11.616 ( 0.000 0.000 0.000) 0.000 11.713 ( 0.000 0.000 0.000) 0.000 11.819 ( 0.000 0.000 0.000) 0.000 12.175 ( 0.000 0.000 0.000) 0.000 12.310 ( 0.000 0.000 0.000) 0.000 12.361 ( 0.000 0.000 0.000) 0.000 12.602 ( 0.000 0.000 -0.000) 0.000 12.683 ( 0.000 0.000 0.000) 0.000 12.837 ( 0.000 0.000 -0.000) 0.000 12.876 ( -0.000 0.000 0.000) 0.000 12.989 ( 0.000 0.000 0.000) 0.000 13.167 ( 0.000 0.000 0.000) 0.000 13.174 ( 0.000 0.000 0.000) 0.000 13.501 ( 0.000 0.000 0.000) 0.000 13.619 ( 0.000 0.000 0.000) 0.000 13.623 ( 0.000 0.000 -0.000) 0.000 13.957 ( 0.000 0.000 0.000) 0.000 13.972 ( 0.000 0.000 0.000) 0.000 14.307 ( 0.000 0.000 0.000) 0.000 14.662 ( 0.000 0.000 0.000) 0.000 14.744 ( 0.000 0.000 0.000) 0.000 15.120 ( 0.000 0.000 0.000) 0.000 15.429 ( 0.000 0.000 -0.000) 0.000 15.471 ( 0.000 0.000 0.000) 0.000 15.528 ( 0.000 0.000 -0.000) 0.000 15.762 ( 0.000 0.000 0.000) 0.000 15.931 ( 0.000 0.000 -0.000) 0.000 16.057 ( 0.000 0.000 0.000) 0.000 16.062 ( 0.000 0.000 0.000) 0.000 16.553 ( 0.000 0.000 0.000) 0.000 16.626 ( 0.000 0.000 0.000) 0.000 16.848 ( 0.000 0.000 0.000) 0.000 17.621 ( 0.000 0.000 0.000) 0.000 17.706 ( 0.000 0.000 0.000) 0.000 20.919 ( 0.000 0.000 0.000) 0.000 20.980 ( 0.000 0.000 0.000) 0.000 21.124 ( 0.000 0.000 0.000) 0.000 21.805 ( 0.000 0.000 0.000) 0.000 21.923 ( 0.000 0.000 0.000) 0.000 21.998 ( 0.000 0.000 0.000) 0.000 22.033 ( 0.000 0.000 0.000) 0.000 22.133 ( 0.000 0.000 0.000) 0.000 22.182 ( 0.000 0.000 0.000) 0.000 22.267 ( 0.000 0.000 -0.000) 0.000 22.665 ( 0.000 0.000 0.000) 0.000 22.767 ( 0.000 0.000 0.000) 0.000 22.858 ( 0.000 0.000 0.000) 0.000 22.991 ( 0.000 0.000 0.000) 0.000 23.157 ( 0.000 0.000 -0.000) 0.000 23.169 ( 0.000 0.000 0.000) 0.000 23.326 ( 0.000 0.000 0.000) 0.000 23.402 ( 0.000 0.000 -0.000) 0.000 23.842 ( 0.000 0.000 0.000) 0.000 24.016 ( 0.000 0.000 0.000) 0.000 24.123 ( 0.000 0.000 -0.000) 0.000 24.123 ( 0.000 0.000 0.000) 0.000 24.194 ( 0.000 0.000 0.000) 0.000 24.218 ( 0.000 0.000 -0.000) 0.000 24.282 ( 0.000 0.000 0.000) 0.000 24.498 ( 0.000 0.000 0.000) 0.000 24.565 ( 0.000 0.000 0.000) 0.000 24.608 ( 0.000 0.000 0.000) 0.000 24.762 ( 0.000 0.000 0.000) 0.000 24.832 ( 0.000 0.000 0.000) 0.000 25.234 ( 0.000 0.000 0.000) 0.000 25.428 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 0.000 23.959 0.000) 23.959 0.611 ( 0.000 29.254 0.000) 29.254 0.956 ( 0.000 43.372 0.000) 43.372 1.937 ( 0.000 -0.593 0.000) 0.593 1.969 ( 0.000 0.213 0.000) 0.213 2.024 ( 0.000 2.477 0.000) 2.477 2.246 ( 0.000 -3.311 0.000) 3.311 2.263 ( 0.000 8.159 0.000) 8.159 2.325 ( 0.000 1.190 0.000) 1.190 2.424 ( 0.000 -1.702 0.000) 1.702 2.477 ( 0.000 3.036 0.000) 3.036 2.558 ( 0.000 -1.238 0.000) 1.238 2.637 ( 0.000 -0.435 0.000) 0.435 2.641 ( 0.000 0.349 0.000) 0.349 2.740 ( 0.000 -2.233 0.000) 2.233 2.751 ( 0.000 -1.262 0.000) 1.262 3.012 ( 0.000 -3.163 0.000) 3.163 3.028 ( 0.000 -5.963 0.000) 5.963 3.068 ( 0.000 -3.372 0.000) 3.372 3.104 ( 0.000 0.445 0.000) 0.445 3.162 ( 0.000 -1.932 0.000) 1.932 3.176 ( 0.000 -1.905 0.000) 1.905 3.293 ( 0.000 1.799 0.000) 1.799 3.313 ( 0.000 -2.639 0.000) 2.639 3.384 ( 0.000 -1.568 0.000) 1.568 3.413 ( 0.000 -5.934 0.000) 5.934 3.440 ( 0.000 2.811 0.000) 2.811 3.475 ( 0.000 -2.736 0.000) 2.736 3.564 ( 0.000 4.361 0.000) 4.361 3.697 ( 0.000 4.957 0.000) 4.957 3.717 ( 0.000 5.117 0.000) 5.117 3.765 ( 0.000 -3.570 0.000) 3.570 3.825 ( 0.000 1.619 0.000) 1.619 3.869 ( 0.000 6.976 0.000) 6.976 3.918 ( 0.000 0.026 0.000) 0.026 3.996 ( 0.000 -6.768 0.000) 6.768 4.063 ( 0.000 3.367 0.000) 3.367 4.113 ( 0.000 14.219 0.000) 14.219 4.223 ( 0.000 4.188 0.000) 4.188 4.246 ( 0.000 5.256 0.000) 5.256 4.278 ( 0.000 6.749 0.000) 6.749 4.304 ( 0.000 0.599 0.000) 0.599 4.389 ( 0.000 3.618 0.000) 3.618 4.406 ( 0.000 0.663 0.000) 0.663 4.524 ( 0.000 6.230 0.000) 6.230 4.593 ( 0.000 0.232 0.000) 0.232 4.652 ( 0.000 -3.260 0.000) 3.260 4.830 ( 0.000 -4.133 0.000) 4.133 4.836 ( 0.000 -2.067 0.000) 2.067 4.956 ( 0.000 3.211 0.000) 3.211 5.067 ( 0.000 9.458 0.000) 9.458 5.146 ( 0.000 -6.901 0.000) 6.901 5.200 ( 0.000 2.523 0.000) 2.523 5.205 ( 0.000 -12.455 0.000) 12.455 5.283 ( 0.000 -3.008 0.000) 3.008 5.436 ( 0.000 -4.585 0.000) 4.585 5.450 ( 0.000 -6.363 0.000) 6.363 5.525 ( 0.000 -2.436 0.000) 2.436 5.645 ( 0.000 3.963 0.000) 3.963 5.779 ( 0.000 4.867 0.000) 4.867 5.897 ( 0.000 1.692 0.000) 1.692 5.940 ( 0.000 -0.067 0.000) 0.067 6.103 ( 0.000 -3.781 0.000) 3.781 6.297 ( 0.000 0.109 0.000) 0.109 6.413 ( 0.000 -3.158 0.000) 3.158 6.493 ( 0.000 0.728 0.000) 0.728 6.522 ( 0.000 -1.623 0.000) 1.623 6.548 ( 0.000 -6.956 0.000) 6.956 6.592 ( 0.000 1.397 0.000) 1.397 6.777 ( 0.000 -9.477 0.000) 9.477 6.787 ( 0.000 3.282 0.000) 3.282 7.163 ( 0.000 -1.448 0.000) 1.448 7.211 ( 0.000 4.965 0.000) 4.965 7.316 ( 0.000 -4.883 0.000) 4.883 7.398 ( 0.000 5.879 0.000) 5.879 7.406 ( 0.000 1.388 0.000) 1.388 7.446 ( 0.000 -7.418 0.000) 7.418 7.545 ( 0.000 -1.086 0.000) 1.086 7.627 ( 0.000 2.080 0.000) 2.080 7.682 ( 0.000 3.556 0.000) 3.556 7.777 ( 0.000 1.834 0.000) 1.834 7.994 ( 0.000 3.580 0.000) 3.580 8.061 ( 0.000 1.203 0.000) 1.203 8.086 ( 0.000 3.603 0.000) 3.603 8.175 ( 0.000 5.106 0.000) 5.106 8.307 ( 0.000 -1.820 0.000) 1.820 8.350 ( 0.000 -0.223 0.000) 0.223 8.497 ( 0.000 0.378 0.000) 0.378 8.534 ( 0.000 1.466 0.000) 1.466 8.574 ( 0.000 -0.705 0.000) 0.705 9.052 ( 0.000 -5.482 0.000) 5.482 9.162 ( 0.000 -11.127 0.000) 11.127 9.227 ( 0.000 -2.002 0.000) 2.002 9.280 ( 0.000 -0.731 0.000) 0.731 9.392 ( 0.000 2.389 0.000) 2.389 9.520 ( 0.000 1.626 0.000) 1.626 9.549 ( 0.000 4.144 0.000) 4.144 9.722 ( 0.000 -1.256 0.000) 1.256 9.800 ( 0.000 -0.508 0.000) 0.508 9.938 ( 0.000 -1.046 0.000) 1.046 9.941 ( 0.000 1.348 0.000) 1.348 10.114 ( 0.000 5.216 0.000) 5.216 10.124 ( 0.000 -3.512 0.000) 3.512 10.172 ( 0.000 -5.009 0.000) 5.009 10.381 ( 0.000 -1.627 0.000) 1.627 10.548 ( 0.000 0.458 0.000) 0.458 10.591 ( 0.000 -1.189 0.000) 1.189 10.710 ( 0.000 -3.294 0.000) 3.294 10.827 ( 0.000 1.608 0.000) 1.608 10.946 ( 0.000 2.126 0.000) 2.126 11.131 ( 0.000 4.581 0.000) 4.581 11.196 ( 0.000 3.592 0.000) 3.592 11.331 ( 0.000 -1.986 0.000) 1.986 11.368 ( 0.000 11.023 0.000) 11.023 11.557 ( 0.000 -5.226 0.000) 5.226 11.854 ( 0.000 -9.073 0.000) 9.073 12.035 ( 0.000 4.184 0.000) 4.184 12.175 ( 0.000 -3.286 0.000) 3.286 12.282 ( 0.000 -5.639 0.000) 5.639 12.342 ( 0.000 6.208 0.000) 6.208 12.442 ( 0.000 -3.634 0.000) 3.634 12.595 ( 0.000 -2.485 0.000) 2.485 12.681 ( 0.000 -0.814 0.000) 0.814 12.753 ( 0.000 0.102 0.000) 0.102 13.148 ( 0.000 4.271 0.000) 4.271 13.250 ( 0.000 1.299 0.000) 1.299 13.322 ( 0.000 3.073 0.000) 3.073 13.363 ( 0.000 -1.049 0.000) 1.049 13.403 ( 0.000 2.114 0.000) 2.114 13.487 ( 0.000 3.889 0.000) 3.889 14.319 ( 0.000 -0.141 0.000) 0.141 14.336 ( 0.000 4.978 0.000) 4.978 14.422 ( 0.000 0.789 0.000) 0.789 14.734 ( 0.000 -2.226 0.000) 2.226 14.831 ( 0.000 -2.921 0.000) 2.921 14.915 ( 0.000 -0.003 0.000) 0.003 15.352 ( 0.000 -2.795 0.000) 2.795 15.369 ( 0.000 -0.613 0.000) 0.613 15.466 ( 0.000 1.901 0.000) 1.901 15.482 ( 0.000 2.742 0.000) 2.742 15.515 ( 0.000 1.940 0.000) 1.940 15.955 ( 0.000 -9.031 0.000) 9.031 16.225 ( 0.000 2.469 0.000) 2.469 16.549 ( 0.000 -4.644 0.000) 4.644 16.769 ( 0.000 5.046 0.000) 5.046 16.863 ( 0.000 2.839 0.000) 2.839 17.612 ( 0.000 0.322 0.000) 0.322 17.709 ( 0.000 -0.894 0.000) 0.894 20.869 ( 0.000 0.855 0.000) 0.855 21.022 ( 0.000 1.360 0.000) 1.360 21.079 ( 0.000 -2.842 0.000) 2.842 21.346 ( 0.000 -3.682 0.000) 3.682 21.919 ( 0.000 3.468 0.000) 3.468 21.968 ( 0.000 -0.175 0.000) 0.175 22.144 ( 0.000 3.762 0.000) 3.762 22.177 ( 0.000 1.110 0.000) 1.110 22.272 ( 0.000 -0.500 0.000) 0.500 22.459 ( 0.000 -7.152 0.000) 7.152 22.585 ( 0.000 -1.032 0.000) 1.032 22.708 ( 0.000 -1.149 0.000) 1.149 22.943 ( 0.000 2.619 0.000) 2.619 22.970 ( 0.000 0.428 0.000) 0.428 23.088 ( 0.000 0.264 0.000) 0.264 23.231 ( 0.000 1.406 0.000) 1.406 23.407 ( 0.000 -1.145 0.000) 1.145 23.544 ( 0.000 -6.461 0.000) 6.461 23.916 ( 0.000 -6.385 0.000) 6.385 23.932 ( 0.000 -3.756 0.000) 3.756 24.043 ( 0.000 7.742 0.000) 7.742 24.153 ( 0.000 -2.752 0.000) 2.752 24.279 ( 0.000 -1.936 0.000) 1.936 24.312 ( 0.000 0.494 0.000) 0.494 24.387 ( 0.000 6.523 0.000) 6.523 24.568 ( 0.000 0.631 0.000) 0.631 24.575 ( 0.000 7.197 0.000) 7.197 24.683 ( 0.000 0.690 0.000) 0.690 24.697 ( 0.000 0.611 0.000) 0.611 24.774 ( 0.000 4.833 0.000) 4.833 24.994 ( 0.000 -1.403 0.000) 1.403 25.487 ( 0.000 -5.058 0.000) 5.058 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 10.885 17.367 2.534) 20.653 0.751 ( 21.830 15.431 3.070) 26.909 1.416 ( 23.141 26.301 17.057) 38.964 1.723 ( -10.644 1.086 -15.049) 18.465 1.930 ( -4.153 4.538 -3.981) 7.327 2.015 ( -2.045 2.172 0.910) 3.119 2.211 ( -0.769 3.582 -2.063) 4.204 2.266 ( 2.433 3.835 -1.894) 4.921 2.298 ( -4.247 -0.152 -3.770) 5.681 2.414 ( 2.032 0.412 1.370) 2.485 2.464 ( 2.720 -0.229 -4.024) 4.862 2.524 ( -1.430 2.027 1.057) 2.696 2.594 ( -4.870 -0.911 2.017) 5.349 2.662 ( 0.384 4.574 -1.952) 4.988 2.761 ( -1.032 -5.645 -0.222) 5.743 2.816 ( 4.952 -1.802 4.385) 6.856 2.927 ( -2.576 1.754 -3.645) 4.796 2.949 ( -6.845 -7.278 3.921) 10.733 3.043 ( -0.831 0.604 -0.029) 1.028 3.175 ( 4.669 -4.228 0.551) 6.323 3.215 ( 0.844 -3.945 1.793) 4.415 3.245 ( -3.256 0.319 0.970) 3.413 3.322 ( 5.479 -3.455 -1.597) 6.671 3.358 ( 4.083 -3.866 -4.468) 7.182 3.403 ( -1.869 -2.560 0.194) 3.175 3.444 ( 7.583 -5.310 -1.492) 9.376 3.505 ( 6.018 -4.408 -0.052) 7.460 3.538 ( 4.152 1.945 7.871) 9.109 3.572 ( -1.398 0.646 -0.169) 1.549 3.709 ( -0.221 0.944 -1.525) 1.807 3.758 ( 6.782 2.446 -1.304) 7.326 3.785 ( 1.181 2.807 1.313) 3.316 3.834 ( 1.195 4.738 -0.317) 4.896 3.873 ( 2.880 2.814 -0.591) 4.070 3.939 ( -1.717 2.500 1.873) 3.565 3.997 ( -0.877 2.375 1.791) 3.101 4.033 ( -3.623 5.783 -1.575) 7.004 4.085 ( 0.420 2.805 -0.407) 2.865 4.205 ( -1.275 -0.215 2.357) 2.689 4.266 ( -1.777 3.887 -3.694) 5.649 4.275 ( -0.601 5.116 0.786) 5.211 4.348 ( 2.349 1.789 0.665) 3.027 4.351 ( 1.315 3.228 4.653) 5.814 4.436 ( 0.530 2.473 2.400) 3.487 4.533 ( -0.957 4.429 4.238) 6.204 4.622 ( 2.308 2.250 3.326) 4.632 4.687 ( 3.261 0.088 -2.312) 3.998 4.817 ( 1.083 -2.164 -1.465) 2.829 4.826 ( 2.061 -0.595 -1.180) 2.449 4.940 ( -3.036 3.556 -1.198) 4.827 4.992 ( 3.203 2.267 -3.233) 5.084 5.081 ( -1.271 -4.364 -4.490) 6.389 5.172 ( 1.074 0.182 -1.733) 2.047 5.254 ( -2.447 -2.666 -3.731) 5.198 5.286 ( -1.493 -4.751 -3.277) 5.961 5.407 ( -2.328 -2.121 -1.379) 3.438 5.477 ( -1.083 -4.699 -4.145) 6.359 5.530 ( 3.421 -7.363 -0.594) 8.141 5.643 ( 0.646 0.891 -5.031) 5.150 5.822 ( 1.977 4.163 1.208) 4.764 5.858 ( -3.339 2.969 4.927) 6.652 5.917 ( -4.127 2.742 5.564) 7.450 6.179 ( -6.602 -3.638 11.638) 13.866 6.202 ( -8.799 -2.039 1.170) 9.107 6.323 ( -6.801 1.128 -0.117) 6.894 6.451 ( 0.828 -7.426 -1.866) 7.701 6.574 ( 2.562 -4.710 3.286) 6.288 6.664 ( 4.051 -2.353 2.933) 5.527 6.694 ( -0.386 -1.384 -3.287) 3.587 6.837 ( 1.861 -11.508 11.830) 16.609 6.898 ( 2.928 -4.404 13.407) 14.412 7.147 ( -5.039 1.816 1.246) 5.499 7.178 ( 0.783 2.374 -3.249) 4.099 7.234 ( -9.299 2.672 1.129) 9.741 7.295 ( -1.283 -5.936 1.993) 6.392 7.426 ( -0.981 -1.225 2.080) 2.606 7.478 ( -0.851 3.192 -0.526) 3.345 7.591 ( 5.199 -0.319 -6.011) 7.954 7.673 ( 6.819 0.873 -1.899) 7.132 7.753 ( 4.272 3.842 -1.114) 5.852 7.773 ( 3.093 -3.673 -0.417) 4.820 7.924 ( -4.746 3.586 -3.908) 7.117 8.068 ( 0.431 2.082 2.130) 3.010 8.155 ( 4.218 3.788 2.562) 6.221 8.276 ( 6.285 0.948 1.661) 6.570 8.347 ( 1.434 -2.334 1.968) 3.373 8.398 ( 0.674 1.268 5.864) 6.037 8.476 ( -0.970 -1.288 1.105) 1.955 8.555 ( 4.302 -1.803 0.046) 4.665 8.641 ( 4.704 -0.483 1.367) 4.922 9.031 ( -2.111 -4.427 0.409) 4.922 9.159 ( -0.726 -4.498 -2.004) 4.977 9.170 ( -0.842 -4.053 -5.047) 6.527 9.316 ( -2.466 -4.209 3.384) 5.937 9.345 ( 0.922 2.948 -3.319) 4.534 9.491 ( -2.674 0.752 -2.163) 3.521 9.532 ( -0.141 3.135 -0.820) 3.243 9.712 ( 0.660 0.229 -2.774) 2.861 9.785 ( -0.846 -2.121 -1.265) 2.610 9.925 ( -0.604 -0.003 -2.074) 2.160 9.974 ( 3.516 0.247 -0.344) 3.541 10.069 ( 3.072 -2.539 -4.497) 6.009 10.181 ( 1.451 -0.923 0.058) 1.721 10.230 ( 3.330 1.975 4.553) 5.976 10.371 ( -2.740 -2.913 2.211) 4.569 10.532 ( -3.784 -1.481 -0.121) 4.065 10.573 ( -4.681 -1.285 1.024) 4.961 10.623 ( -3.445 2.262 -0.168) 4.125 10.829 ( 0.966 5.953 1.480) 6.210 10.904 ( -3.661 0.376 1.754) 4.077 11.064 ( -4.952 3.696 -1.145) 6.285 11.119 ( -9.667 4.262 1.095) 10.622 11.333 ( -0.919 7.788 4.582) 9.082 11.412 ( 4.284 0.789 2.906) 5.237 11.520 ( -3.512 -2.700 -2.522) 5.098 11.880 ( 0.001 -10.608 -0.232) 10.611 12.017 ( -1.651 -1.269 -3.566) 4.129 12.103 ( -7.398 -1.676 0.620) 7.611 12.326 ( 2.571 -1.608 0.308) 3.048 12.397 ( 6.339 0.872 -1.922) 6.681 12.484 ( 3.932 -5.558 -0.537) 6.829 12.552 ( -4.238 0.289 -1.362) 4.461 12.633 ( 4.686 -0.625 -0.327) 4.739 12.864 ( 5.024 -2.206 -1.648) 5.729 13.085 ( -3.827 3.591 -1.624) 5.494 13.275 ( -0.675 1.126 -3.900) 4.115 13.313 ( 4.956 0.006 1.594) 5.206 13.367 ( -2.607 0.174 3.048) 4.015 13.517 ( 6.787 5.374 5.568) 10.293 13.521 ( 2.188 6.843 1.717) 7.386 13.986 ( -5.886 16.481 -8.526) 19.467 14.211 ( -7.171 1.328 -4.463) 8.551 14.540 ( 4.334 -0.633 3.697) 5.732 14.588 ( -5.892 1.546 -3.871) 7.218 14.870 ( -1.613 -0.933 -2.178) 2.866 15.156 ( 4.429 -10.195 -4.975) 12.178 15.341 ( 0.483 -1.552 0.833) 1.826 15.430 ( 3.390 0.645 -3.387) 4.836 15.523 ( 7.311 -0.817 -4.154) 8.448 15.559 ( 5.859 -5.395 4.728) 9.262 15.603 ( 4.937 -2.579 11.507) 12.784 15.952 ( 0.033 -8.981 -0.531) 8.996 16.197 ( -0.638 3.919 -3.488) 5.285 16.550 ( 0.965 -4.511 -1.341) 4.804 16.715 ( -2.379 8.497 -1.430) 8.939 16.884 ( 0.154 1.805 1.073) 2.106 17.613 ( 0.059 0.202 0.183) 0.279 17.706 ( -0.302 -0.881 -0.022) 0.931 20.885 ( 1.399 1.005 0.492) 1.791 21.013 ( -0.341 1.838 -0.285) 1.891 21.089 ( 0.956 -2.366 -0.268) 2.566 21.485 ( 9.102 -14.044 1.089) 16.771 21.925 ( 0.230 3.232 0.318) 3.255 21.962 ( -0.474 -0.288 -0.098) 0.563 22.129 ( -0.336 3.479 -1.649) 3.865 22.164 ( -0.755 1.712 -1.113) 2.177 22.236 ( 2.492 0.987 -8.490) 8.903 22.411 ( -2.265 -2.866 -3.189) 4.849 22.633 ( 1.552 -2.206 3.768) 4.633 22.740 ( -0.584 -2.844 5.417) 6.146 22.935 ( 0.081 2.609 -1.924) 3.243 22.990 ( 0.046 0.452 3.573) 3.602 23.090 ( -8.144 3.726 4.942) 10.229 23.144 ( -4.310 1.853 5.275) 7.060 23.389 ( 0.861 -0.850 -6.393) 6.506 23.441 ( 0.345 -1.434 -11.341) 11.436 23.864 ( -1.981 -2.312 -0.880) 3.170 23.931 ( 0.305 -3.802 0.177) 3.818 24.080 ( 0.898 6.842 4.069) 8.011 24.108 ( -1.956 0.891 0.495) 2.206 24.235 ( -3.028 9.963 2.290) 10.662 24.280 ( 0.163 -1.486 -0.744) 1.670 24.306 ( 1.867 0.894 -4.393) 4.856 24.559 ( -0.657 2.677 0.257) 2.768 24.637 ( 1.095 7.794 -0.467) 7.884 24.665 ( -0.778 -0.248 -1.643) 1.834 24.707 ( 1.428 1.243 0.771) 2.044 24.858 ( -1.099 -2.341 2.257) 3.432 25.109 ( 2.332 -8.037 7.834) 11.463 25.463 ( -2.562 -4.899 -0.141) 5.530 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 17.286 1.222 14.533) 22.617 1.148 ( 16.971 5.472 -1.878) 17.930 1.398 ( -4.822 10.458 -8.726) 14.449 1.785 ( 5.776 5.859 -4.124) 9.203 1.796 ( -6.271 5.066 -1.299) 8.166 1.886 ( -9.390 1.780 2.794) 9.958 2.069 ( -9.595 9.567 -8.132) 15.803 2.218 ( -1.562 4.741 -1.434) 5.194 2.301 ( -4.889 -2.959 1.125) 5.824 2.445 ( -0.891 -2.400 -1.634) 3.037 2.508 ( -0.012 0.820 1.087) 1.361 2.535 ( 3.716 0.294 -0.718) 3.796 2.653 ( 14.069 3.159 3.379) 14.810 2.698 ( 6.927 4.836 1.303) 8.548 2.768 ( 1.529 -1.984 1.601) 2.973 2.881 ( 1.857 -3.437 -2.462) 4.618 2.917 ( -1.840 -5.388 6.147) 8.378 2.950 ( 5.024 -2.479 -0.019) 5.603 3.084 ( 3.275 -0.005 2.159) 3.923 3.177 ( -2.443 -3.515 -1.353) 4.489 3.205 ( 2.392 -1.815 -1.241) 3.249 3.244 ( -0.384 -0.578 -1.119) 1.317 3.326 ( 0.206 1.315 -4.277) 4.479 3.364 ( 0.444 -3.083 -1.341) 3.391 3.395 ( 1.827 -4.899 -2.559) 5.822 3.495 ( 0.775 4.226 -0.825) 4.375 3.526 ( -1.409 -1.363 0.237) 1.975 3.600 ( 0.448 -3.139 4.677) 5.650 3.665 ( -2.159 4.150 -0.241) 4.684 3.710 ( 0.780 -4.452 -3.129) 5.498 3.743 ( -0.750 3.139 -0.961) 3.367 3.800 ( -0.521 3.583 1.698) 3.999 3.849 ( 3.029 1.532 3.403) 4.807 3.929 ( 2.883 3.397 -0.896) 4.545 3.972 ( -1.707 1.398 5.252) 5.697 3.992 ( -1.052 2.668 0.738) 2.962 4.092 ( 2.128 1.827 -3.139) 4.210 4.095 ( 4.373 -1.355 1.970) 4.984 4.157 ( -5.200 2.334 0.797) 5.755 4.230 ( -0.758 5.869 2.190) 6.310 4.279 ( 4.879 4.444 -2.985) 7.244 4.379 ( -0.714 3.168 -0.631) 3.308 4.414 ( 0.663 2.137 4.705) 5.210 4.462 ( 3.800 1.103 1.522) 4.240 4.584 ( -1.877 -0.769 1.661) 2.622 4.671 ( 4.382 0.232 2.834) 5.224 4.727 ( 1.057 -0.614 -0.311) 1.262 4.830 ( -0.466 -0.902 -1.072) 1.477 4.898 ( 3.396 2.332 -0.330) 4.133 4.919 ( 0.788 -2.826 1.310) 3.213 4.978 ( -0.961 -2.730 -4.777) 5.586 5.031 ( 0.201 -0.489 -1.322) 1.424 5.099 ( -1.932 1.267 -3.638) 4.309 5.222 ( 4.007 1.071 -6.136) 7.406 5.248 ( 0.078 0.264 -5.810) 5.816 5.317 ( -6.344 6.932 -0.335) 9.403 5.400 ( -0.896 -3.414 0.365) 3.548 5.544 ( 1.454 -5.511 -0.768) 5.751 5.625 ( 1.381 -2.660 -2.351) 3.809 5.777 ( -6.972 1.476 -1.859) 7.365 5.882 ( -6.802 2.961 4.776) 8.823 5.918 ( -2.221 5.770 5.590) 8.335 6.059 ( -3.447 -0.222 2.903) 4.512 6.108 ( -3.141 -2.530 -0.025) 4.033 6.303 ( -3.111 0.856 1.779) 3.685 6.463 ( 2.934 -8.404 -0.846) 8.942 6.582 ( -3.887 -5.139 -0.856) 6.500 6.641 ( 0.129 -4.674 0.724) 4.732 6.780 ( 3.638 -4.644 4.254) 7.274 6.930 ( -2.760 -3.982 6.695) 8.264 7.006 ( -3.992 -7.613 9.549) 12.848 7.060 ( -3.278 -2.091 -3.551) 5.266 7.136 ( 0.219 10.534 -0.280) 10.540 7.183 ( 0.351 -1.727 0.836) 1.951 7.315 ( 1.061 -3.633 0.792) 3.867 7.410 ( -1.608 -0.962 1.026) 2.137 7.517 ( 2.376 1.123 -2.666) 3.744 7.588 ( 2.549 0.602 -1.461) 2.999 7.698 ( 0.201 5.290 -2.921) 6.047 7.763 ( -4.889 0.300 -2.667) 5.577 7.799 ( 5.071 0.874 -0.585) 5.179 7.949 ( 7.053 -0.581 1.975) 7.348 8.082 ( -0.071 2.875 1.073) 3.070 8.234 ( 1.105 2.929 1.188) 3.348 8.305 ( -3.003 5.503 0.657) 6.303 8.409 ( 2.425 -8.003 2.342) 8.684 8.444 ( 2.333 0.149 -0.308) 2.358 8.518 ( -0.257 -2.450 3.353) 4.161 8.681 ( 6.755 0.867 3.075) 7.473 8.709 ( 2.966 -0.738 0.160) 3.060 8.957 ( -2.894 0.198 -3.770) 4.757 9.090 ( -4.114 -2.708 1.743) 5.225 9.137 ( -0.964 -3.541 -2.344) 4.354 9.313 ( 2.760 0.354 -4.068) 4.929 9.346 ( -1.302 -5.141 2.249) 5.761 9.441 ( 0.308 -1.679 -2.083) 2.693 9.522 ( 0.097 2.549 -0.855) 2.690 9.699 ( 1.198 1.593 -2.323) 3.061 9.751 ( -1.809 -2.098 -0.822) 2.890 9.879 ( -1.701 0.194 -1.787) 2.475 10.030 ( 3.239 -1.739 -0.948) 3.796 10.117 ( 6.337 -3.014 -2.804) 7.557 10.207 ( 0.913 1.622 0.964) 2.096 10.308 ( -2.728 1.796 2.902) 4.369 10.342 ( -0.579 0.680 2.791) 2.930 10.440 ( -3.263 -0.299 -3.465) 4.769 10.468 ( -4.160 -4.736 -0.366) 6.314 10.647 ( 0.564 3.870 2.864) 4.848 10.866 ( 0.412 4.100 2.024) 4.591 10.871 ( -2.412 -0.008 2.246) 3.295 10.967 ( -5.918 2.545 -0.198) 6.445 10.970 ( -6.061 1.054 -0.101) 6.153 11.329 ( -4.930 2.768 0.467) 5.673 11.488 ( 3.819 2.905 1.159) 4.936 11.529 ( 4.965 0.354 3.239) 5.939 11.809 ( -6.798 -3.806 -1.534) 7.940 11.929 ( -4.376 -0.142 -2.216) 4.907 12.006 ( -3.048 -6.747 0.009) 7.403 12.333 ( -1.368 0.777 -0.400) 1.624 12.472 ( 3.851 -0.273 -1.124) 4.021 12.516 ( -0.536 -4.890 0.859) 4.994 12.534 ( 3.399 -5.631 -2.024) 6.882 12.738 ( 7.327 -0.496 -1.768) 7.553 12.882 ( -2.069 -2.332 1.394) 3.415 13.027 ( -0.330 4.737 -2.309) 5.280 13.225 ( -1.475 1.377 -1.856) 2.742 13.343 ( -1.509 5.609 0.168) 5.810 13.421 ( 4.624 -1.789 1.537) 5.191 13.580 ( 1.936 6.572 2.584) 7.322 13.694 ( 5.757 8.297 6.079) 11.788 13.956 ( 3.879 7.160 -1.590) 8.297 14.063 ( -3.562 2.804 -4.565) 6.433 14.419 ( -6.586 1.745 -3.517) 7.667 14.648 ( 1.980 -3.144 1.111) 3.878 14.766 ( -3.848 1.022 -3.442) 5.263 15.117 ( -1.466 -4.788 -3.004) 5.839 15.404 ( 3.396 -0.444 2.860) 4.462 15.438 ( 0.812 0.486 -0.797) 1.237 15.554 ( 0.389 1.823 -0.502) 1.930 15.659 ( 3.569 -4.895 0.218) 6.062 15.803 ( 5.554 -6.442 5.074) 9.904 15.944 ( -0.034 -8.954 -1.132) 9.025 16.148 ( -0.978 4.399 -2.833) 5.323 16.555 ( 1.175 -4.842 -1.297) 5.148 16.679 ( -1.265 8.520 0.060) 8.613 16.889 ( -0.166 2.488 0.206) 2.502 17.617 ( 0.097 -0.028 0.211) 0.234 17.700 ( -0.313 -0.862 -0.031) 0.917 20.918 ( 1.462 1.339 0.492) 2.042 21.006 ( -0.083 2.089 -0.338) 2.118 21.103 ( 0.832 -1.665 -0.142) 1.867 21.598 ( 3.842 -15.222 -0.214) 15.701 21.925 ( -0.180 3.053 -0.292) 3.072 21.956 ( -0.350 -1.203 0.176) 1.265 22.112 ( -0.117 3.482 -0.469) 3.515 22.136 ( -0.494 1.790 -1.714) 2.527 22.216 ( 3.509 1.271 -5.058) 6.286 22.335 ( -3.387 0.054 -1.877) 3.873 22.689 ( 2.794 -1.426 -0.132) 3.139 22.762 ( -4.551 -1.312 6.471) 8.020 22.902 ( -1.321 2.729 -1.705) 3.479 22.983 ( -2.363 1.895 1.434) 3.351 23.065 ( -0.924 0.680 8.878) 8.952 23.204 ( 1.706 -3.049 2.531) 4.314 23.305 ( 1.627 0.326 -9.509) 9.653 23.383 ( 0.451 -2.363 -4.455) 5.063 23.838 ( -1.277 -1.719 0.164) 2.148 23.948 ( 0.572 -4.603 0.898) 4.725 24.095 ( -0.139 0.881 1.683) 1.905 24.162 ( 1.152 4.730 5.109) 7.057 24.238 ( -2.416 6.883 5.397) 9.074 24.269 ( 0.855 -0.417 -3.053) 3.198 24.286 ( 2.039 1.529 -5.964) 6.486 24.549 ( -0.651 2.882 0.121) 2.957 24.630 ( -1.013 1.098 -0.888) 1.738 24.647 ( 0.614 7.671 -0.779) 7.735 24.744 ( 1.564 0.527 0.869) 1.866 24.835 ( -1.683 -1.728 -0.303) 2.432 25.169 ( -0.665 -6.100 3.161) 6.903 25.411 ( -2.772 -4.566 -0.223) 5.346 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 0.000 3.862 0.000) 3.862 1.361 ( 0.000 -1.071 0.000) 1.071 1.435 ( -0.000 6.692 -0.000) 6.692 1.661 ( 0.000 1.636 -0.000) 1.636 1.714 ( 0.000 6.916 0.000) 6.916 1.833 ( -0.000 10.034 -0.000) 10.034 1.942 ( 0.000 11.896 0.000) 11.896 2.166 ( 0.000 0.152 0.000) 0.152 2.263 ( 0.000 -0.607 0.000) 0.607 2.401 ( 0.000 -2.797 -0.000) 2.797 2.517 ( 0.000 -1.662 0.000) 1.662 2.587 ( 0.000 0.113 0.000) 0.113 2.736 ( 0.000 -2.529 0.000) 2.529 2.788 ( 0.000 0.706 0.000) 0.706 2.812 ( 0.000 -11.178 0.000) 11.178 2.944 ( 0.000 -1.498 0.000) 1.498 2.965 ( 0.000 -4.161 0.000) 4.161 3.069 ( -0.000 1.996 -0.000) 1.996 3.082 ( 0.000 -2.765 0.000) 2.765 3.150 ( 0.000 4.920 0.000) 4.920 3.195 ( 0.000 3.738 0.000) 3.738 3.252 ( 0.000 -3.687 0.000) 3.687 3.345 ( 0.000 -4.911 0.000) 4.911 3.358 ( 0.000 0.418 -0.000) 0.418 3.381 ( 0.000 0.878 0.000) 0.878 3.473 ( -0.000 2.611 0.000) 2.611 3.531 ( 0.000 -1.032 0.000) 1.032 3.579 ( 0.000 2.159 0.000) 2.159 3.651 ( 0.000 0.113 0.000) 0.113 3.694 ( 0.000 3.686 0.000) 3.686 3.725 ( 0.000 2.039 0.000) 2.039 3.826 ( 0.000 -0.002 0.000) 0.002 3.905 ( 0.000 -0.949 0.000) 0.949 3.938 ( 0.000 6.164 0.000) 6.164 3.966 ( 0.000 -0.601 0.000) 0.601 3.980 ( -0.000 3.847 -0.000) 3.847 4.055 ( -0.000 1.017 -0.000) 1.017 4.110 ( 0.000 2.085 0.000) 2.085 4.187 ( 0.000 -5.515 0.000) 5.515 4.234 ( 0.000 8.433 0.000) 8.433 4.300 ( 0.000 1.559 -0.000) 1.559 4.393 ( 0.000 5.119 0.000) 5.119 4.448 ( 0.000 0.730 0.000) 0.730 4.523 ( 0.000 -2.757 0.000) 2.757 4.580 ( -0.000 -0.874 0.000) 0.874 4.681 ( 0.000 -0.146 0.000) 0.146 4.777 ( 0.000 -3.203 -0.000) 3.203 4.791 ( 0.000 1.492 0.000) 1.492 4.916 ( 0.000 -0.784 0.000) 0.784 4.928 ( 0.000 -2.277 0.000) 2.277 4.985 ( 0.000 -0.653 -0.000) 0.653 5.002 ( 0.000 2.869 0.000) 2.869 5.084 ( 0.000 -0.756 0.000) 0.756 5.167 ( 0.000 4.803 0.000) 4.803 5.235 ( 0.000 11.980 -0.000) 11.980 5.257 ( 0.000 -0.267 0.000) 0.267 5.437 ( 0.000 -8.125 0.000) 8.125 5.571 ( 0.000 -1.375 0.000) 1.375 5.629 ( 0.000 5.184 0.000) 5.184 5.652 ( -0.000 -4.902 0.000) 4.902 5.800 ( 0.000 3.247 0.000) 3.247 5.926 ( 0.000 4.562 0.000) 4.562 6.083 ( 0.000 -4.577 0.000) 4.577 6.107 ( 0.000 0.212 0.000) 0.212 6.262 ( 0.000 2.317 0.000) 2.317 6.496 ( 0.000 -10.850 0.000) 10.850 6.520 ( -0.000 -1.726 0.000) 1.726 6.655 ( 0.000 -6.229 0.000) 6.229 6.850 ( 0.000 -5.788 0.000) 5.788 6.918 ( 0.000 -0.339 0.000) 0.339 7.004 ( -0.000 -3.175 0.000) 3.175 7.019 ( 0.000 -8.723 -0.000) 8.723 7.151 ( 0.000 14.942 0.000) 14.942 7.209 ( 0.000 -7.981 0.000) 7.981 7.333 ( 0.000 -2.850 0.000) 2.850 7.402 ( 0.000 -1.982 0.000) 1.982 7.483 ( 0.000 4.677 0.000) 4.677 7.635 ( 0.000 0.574 0.000) 0.574 7.680 ( 0.000 4.822 0.000) 4.822 7.697 ( 0.000 0.911 0.000) 0.911 7.849 ( 0.000 3.078 0.000) 3.078 8.042 ( 0.000 -1.847 0.000) 1.847 8.086 ( 0.000 -1.578 0.000) 1.578 8.234 ( 0.000 3.952 0.000) 3.952 8.269 ( 0.000 6.342 0.000) 6.342 8.434 ( 0.000 -10.949 0.000) 10.949 8.468 ( 0.000 0.175 0.000) 0.175 8.527 ( 0.000 1.442 0.000) 1.442 8.719 ( 0.000 0.200 0.000) 0.200 8.792 ( 0.000 2.293 0.000) 2.293 8.914 ( 0.000 2.157 0.000) 2.157 9.068 ( 0.000 -5.267 0.000) 5.267 9.105 ( 0.000 -1.671 0.000) 1.671 9.300 ( 0.000 1.346 0.000) 1.346 9.348 ( 0.000 -7.583 0.000) 7.583 9.449 ( 0.000 -2.909 0.000) 2.909 9.519 ( 0.000 2.768 0.000) 2.768 9.706 ( 0.000 2.608 0.000) 2.608 9.717 ( 0.000 -1.478 0.000) 1.478 9.853 ( 0.000 -0.298 0.000) 0.298 10.054 ( 0.000 -2.551 0.000) 2.551 10.209 ( -0.000 -4.424 0.000) 4.424 10.212 ( 0.000 0.750 -0.000) 0.750 10.234 ( 0.000 3.546 -0.000) 3.546 10.380 ( 0.000 0.448 0.000) 0.448 10.388 ( 0.000 2.905 -0.000) 2.905 10.429 ( 0.000 -5.789 0.000) 5.789 10.672 ( 0.000 4.848 0.000) 4.848 10.863 ( 0.000 -0.373 0.000) 0.373 10.882 ( 0.000 2.528 -0.000) 2.528 10.899 ( 0.000 0.321 0.000) 0.321 10.919 ( 0.000 0.362 0.000) 0.362 11.274 ( 0.000 3.162 0.000) 3.162 11.550 ( 0.000 2.044 0.000) 2.044 11.652 ( 0.000 2.660 0.000) 2.660 11.673 ( 0.000 -3.757 0.000) 3.757 11.865 ( 0.000 3.577 0.000) 3.577 11.984 ( 0.000 -9.851 0.000) 9.851 12.311 ( 0.000 0.229 0.000) 0.229 12.499 ( -0.000 5.960 0.000) 5.960 12.519 ( 0.000 -11.897 -0.000) 11.897 12.555 ( 0.000 -5.067 0.000) 5.067 12.812 ( 0.000 -2.448 -0.000) 2.448 12.850 ( -0.000 -2.327 0.000) 2.327 13.016 ( 0.000 5.760 0.000) 5.760 13.200 ( 0.000 2.446 0.000) 2.446 13.331 ( 0.000 7.443 0.000) 7.443 13.473 ( 0.000 -2.218 0.000) 2.218 13.615 ( 0.000 5.404 0.000) 5.404 13.794 ( 0.000 11.067 0.000) 11.067 13.945 ( 0.000 0.126 0.000) 0.126 14.056 ( 0.000 5.930 0.000) 5.930 14.325 ( 0.000 1.627 0.000) 1.627 14.633 ( 0.000 -2.827 0.000) 2.827 14.742 ( 0.000 0.190 0.000) 0.190 15.085 ( 0.000 -3.596 0.000) 3.596 15.435 ( 0.000 0.630 -0.000) 0.630 15.471 ( 0.000 0.150 0.000) 0.150 15.543 ( 0.000 1.303 0.000) 1.303 15.691 ( 0.000 -5.170 0.000) 5.170 15.890 ( 0.000 -3.697 -0.000) 3.697 15.928 ( 0.000 -9.912 0.000) 9.912 16.120 ( 0.000 4.170 0.000) 4.170 16.560 ( 0.000 -5.458 0.000) 5.458 16.668 ( 0.000 8.691 0.000) 8.691 16.888 ( 0.000 2.810 0.000) 2.810 17.619 ( 0.000 -0.120 0.000) 0.120 17.697 ( 0.000 -0.855 0.000) 0.855 20.934 ( 0.000 1.500 0.000) 1.500 21.004 ( 0.000 2.234 0.000) 2.234 21.110 ( 0.000 -1.350 0.000) 1.350 21.627 ( 0.000 -14.442 0.000) 14.442 21.921 ( 0.000 2.551 0.000) 2.551 21.953 ( 0.000 -1.269 0.000) 1.269 22.113 ( 0.000 4.364 0.000) 4.364 22.120 ( 0.000 0.503 -0.000) 0.503 22.237 ( -0.000 1.027 0.000) 1.027 22.278 ( 0.000 1.254 -0.000) 1.254 22.726 ( -0.000 -3.969 0.000) 3.969 22.735 ( 0.000 3.436 -0.000) 3.436 22.881 ( 0.000 2.079 0.000) 2.079 22.978 ( 0.000 -0.551 0.000) 0.551 23.147 ( 0.000 -1.573 -0.000) 1.573 23.169 ( 0.000 0.693 0.000) 0.693 23.311 ( 0.000 -1.395 0.000) 1.395 23.351 ( 0.000 -4.079 -0.000) 4.079 23.825 ( 0.000 -1.379 0.000) 1.379 23.958 ( 0.000 -4.730 0.000) 4.730 24.109 ( 0.000 0.273 0.000) 0.273 24.210 ( 0.000 4.401 0.000) 4.401 24.239 ( 0.000 1.669 -0.000) 1.669 24.263 ( 0.000 7.939 -0.000) 7.939 24.264 ( -0.000 -1.527 0.000) 1.527 24.543 ( 0.000 3.386 0.000) 3.386 24.615 ( 0.000 0.640 0.000) 0.640 24.649 ( 0.000 8.183 0.000) 8.183 24.765 ( 0.000 0.228 0.000) 0.228 24.816 ( 0.000 -1.629 0.000) 1.629 25.177 ( 0.000 -5.234 0.000) 5.234 25.383 ( 0.000 -4.395 0.000) 4.395 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.000 23.822 0.000) 23.822 1.169 ( 0.000 25.240 0.000) 25.240 1.631 ( 0.000 17.377 0.000) 17.377 1.841 ( 0.000 -13.528 0.000) 13.528 1.950 ( 0.000 2.057 0.000) 2.057 2.068 ( 0.000 0.777 0.000) 0.777 2.163 ( 0.000 -1.587 0.000) 1.587 2.357 ( 0.000 1.019 0.000) 1.019 2.388 ( 0.000 2.267 0.000) 2.267 2.471 ( 0.000 0.489 0.000) 0.489 2.494 ( 0.000 3.869 0.000) 3.869 2.555 ( 0.000 2.541 0.000) 2.541 2.630 ( 0.000 2.658 0.000) 2.658 2.660 ( 0.000 2.036 0.000) 2.036 2.697 ( 0.000 -3.231 0.000) 3.231 2.761 ( 0.000 0.390 0.000) 0.390 2.927 ( 0.000 -1.621 0.000) 1.621 2.941 ( 0.000 -2.814 0.000) 2.814 3.022 ( 0.000 -1.418 0.000) 1.418 3.110 ( 0.000 -3.755 0.000) 3.755 3.125 ( 0.000 1.298 0.000) 1.298 3.126 ( 0.000 -0.594 0.000) 0.594 3.248 ( 0.000 -3.987 0.000) 3.987 3.263 ( 0.000 -5.520 0.000) 5.520 3.281 ( 0.000 -3.442 0.000) 3.442 3.478 ( 0.000 4.497 0.000) 4.497 3.497 ( 0.000 7.999 0.000) 7.999 3.502 ( 0.000 1.640 0.000) 1.640 3.600 ( 0.000 -1.274 0.000) 1.274 3.705 ( 0.000 -7.940 0.000) 7.940 3.724 ( 0.000 -0.688 0.000) 0.688 3.779 ( 0.000 -0.224 0.000) 0.224 3.895 ( 0.000 2.425 0.000) 2.425 3.914 ( 0.000 10.630 0.000) 10.630 3.934 ( 0.000 0.377 0.000) 0.377 3.962 ( 0.000 1.914 0.000) 1.914 4.134 ( 0.000 -2.985 0.000) 2.985 4.272 ( 0.000 7.158 0.000) 7.158 4.345 ( 0.000 3.054 0.000) 3.054 4.367 ( 0.000 9.349 0.000) 9.349 4.395 ( 0.000 7.312 0.000) 7.312 4.401 ( 0.000 2.214 0.000) 2.214 4.491 ( 0.000 7.789 0.000) 7.789 4.519 ( 0.000 8.849 0.000) 8.849 4.557 ( 0.000 -3.227 0.000) 3.227 4.661 ( 0.000 3.179 0.000) 3.179 4.676 ( 0.000 4.515 0.000) 4.515 4.775 ( 0.000 -0.386 0.000) 0.386 4.830 ( 0.000 -0.473 0.000) 0.473 4.909 ( 0.000 -8.380 0.000) 8.380 4.964 ( 0.000 -8.336 0.000) 8.336 5.060 ( 0.000 1.866 0.000) 1.866 5.100 ( 0.000 -5.914 0.000) 5.914 5.210 ( 0.000 -3.400 0.000) 3.400 5.288 ( 0.000 -3.912 0.000) 3.912 5.301 ( 0.000 -0.339 0.000) 0.339 5.322 ( 0.000 -4.438 0.000) 4.438 5.418 ( 0.000 -7.615 0.000) 7.615 5.689 ( 0.000 2.952 0.000) 2.952 5.875 ( 0.000 3.020 0.000) 3.020 5.894 ( 0.000 -1.565 0.000) 1.565 6.034 ( 0.000 8.534 0.000) 8.534 6.036 ( 0.000 -4.391 0.000) 4.391 6.258 ( 0.000 -2.993 0.000) 2.993 6.321 ( 0.000 -5.452 0.000) 5.452 6.346 ( 0.000 -8.376 0.000) 8.376 6.525 ( 0.000 2.191 0.000) 2.191 6.558 ( 0.000 2.356 0.000) 2.356 6.611 ( 0.000 0.056 0.000) 0.056 6.621 ( 0.000 -4.463 0.000) 4.463 6.871 ( 0.000 4.291 0.000) 4.291 7.109 ( 0.000 -5.607 0.000) 5.607 7.237 ( 0.000 -2.048 0.000) 2.048 7.272 ( 0.000 0.345 0.000) 0.345 7.311 ( 0.000 -3.514 0.000) 3.514 7.412 ( 0.000 -3.593 0.000) 3.593 7.472 ( 0.000 3.052 0.000) 3.052 7.503 ( 0.000 0.541 0.000) 0.541 7.738 ( 0.000 6.677 0.000) 6.677 7.746 ( 0.000 3.315 0.000) 3.315 7.869 ( 0.000 5.206 0.000) 5.206 8.024 ( 0.000 -1.764 0.000) 1.764 8.080 ( 0.000 0.631 0.000) 0.631 8.131 ( 0.000 -0.388 0.000) 0.388 8.274 ( 0.000 2.978 0.000) 2.978 8.277 ( 0.000 -0.336 0.000) 0.336 8.406 ( 0.000 7.513 0.000) 7.513 8.495 ( 0.000 0.662 0.000) 0.662 8.561 ( 0.000 -0.399 0.000) 0.399 8.612 ( 0.000 5.094 0.000) 5.094 8.886 ( 0.000 -10.141 0.000) 10.141 8.936 ( 0.000 -10.502 0.000) 10.502 9.219 ( 0.000 0.819 0.000) 0.819 9.266 ( 0.000 -0.794 0.000) 0.794 9.430 ( 0.000 1.600 0.000) 1.600 9.510 ( 0.000 -2.209 0.000) 2.209 9.632 ( 0.000 4.662 0.000) 4.662 9.735 ( 0.000 1.873 0.000) 1.873 9.784 ( 0.000 -0.940 0.000) 0.940 9.870 ( 0.000 -6.040 0.000) 6.040 9.966 ( 0.000 0.867 0.000) 0.867 10.056 ( 0.000 -3.169 0.000) 3.169 10.085 ( 0.000 -1.675 0.000) 1.675 10.153 ( 0.000 -1.810 0.000) 1.810 10.409 ( 0.000 4.618 0.000) 4.618 10.556 ( 0.000 0.128 0.000) 0.128 10.563 ( 0.000 -1.248 0.000) 1.248 10.603 ( 0.000 -5.245 0.000) 5.245 10.935 ( 0.000 7.164 0.000) 7.164 11.021 ( 0.000 4.865 0.000) 4.865 11.207 ( 0.000 -3.508 0.000) 3.508 11.261 ( 0.000 -5.772 0.000) 5.772 11.264 ( 0.000 8.014 0.000) 8.014 11.535 ( 0.000 3.892 0.000) 3.892 11.580 ( 0.000 9.203 0.000) 9.203 11.665 ( 0.000 -8.129 0.000) 8.129 12.052 ( 0.000 -7.155 0.000) 7.155 12.114 ( 0.000 -10.063 0.000) 10.063 12.138 ( 0.000 5.466 0.000) 5.466 12.351 ( 0.000 -4.888 0.000) 4.888 12.478 ( 0.000 6.000 0.000) 6.000 12.570 ( 0.000 -0.228 0.000) 0.228 12.668 ( 0.000 -0.318 0.000) 0.318 12.728 ( 0.000 -2.248 0.000) 2.248 13.241 ( 0.000 4.132 0.000) 4.132 13.278 ( 0.000 1.271 0.000) 1.271 13.351 ( 0.000 -0.490 0.000) 0.490 13.358 ( 0.000 0.320 0.000) 0.320 13.487 ( 0.000 5.345 0.000) 5.345 13.560 ( 0.000 2.781 0.000) 2.781 14.316 ( 0.000 -0.003 0.000) 0.003 14.381 ( 0.000 -1.876 0.000) 1.876 14.497 ( 0.000 6.989 0.000) 6.989 14.723 ( 0.000 1.937 0.000) 1.937 14.756 ( 0.000 -4.633 0.000) 4.633 14.884 ( 0.000 -3.038 0.000) 3.038 15.324 ( 0.000 0.304 0.000) 0.304 15.366 ( 0.000 0.011 0.000) 0.011 15.501 ( 0.000 1.274 0.000) 1.274 15.521 ( 0.000 0.805 0.000) 0.805 15.559 ( 0.000 2.586 0.000) 2.586 15.767 ( 0.000 -8.564 0.000) 8.564 16.278 ( 0.000 2.933 0.000) 2.933 16.446 ( 0.000 -5.175 0.000) 5.175 16.870 ( 0.000 4.124 0.000) 4.124 16.913 ( 0.000 1.719 0.000) 1.719 17.625 ( 0.000 0.964 0.000) 0.964 17.684 ( 0.000 -1.537 0.000) 1.537 20.896 ( 0.000 1.757 0.000) 1.757 21.010 ( 0.000 -3.639 0.000) 3.639 21.065 ( 0.000 2.979 0.000) 2.979 21.249 ( 0.000 -5.444 0.000) 5.444 22.003 ( 0.000 3.470 0.000) 3.470 22.011 ( 0.000 5.072 0.000) 5.072 22.191 ( 0.000 0.261 0.000) 0.261 22.204 ( 0.000 1.305 0.000) 1.305 22.259 ( 0.000 -0.655 0.000) 0.655 22.298 ( 0.000 -7.726 0.000) 7.726 22.570 ( 0.000 0.040 0.000) 0.040 22.661 ( 0.000 -3.163 0.000) 3.163 22.982 ( 0.000 0.766 0.000) 0.766 22.994 ( 0.000 1.436 0.000) 1.436 23.121 ( 0.000 3.872 0.000) 3.872 23.271 ( 0.000 2.388 0.000) 2.388 23.372 ( 0.000 -2.447 0.000) 2.447 23.400 ( 0.000 -7.395 0.000) 7.395 23.813 ( 0.000 -3.146 0.000) 3.146 23.848 ( 0.000 -3.879 0.000) 3.879 24.121 ( 0.000 0.553 0.000) 0.553 24.203 ( 0.000 6.448 0.000) 6.448 24.222 ( 0.000 -3.304 0.000) 3.304 24.322 ( 0.000 0.013 0.000) 0.013 24.490 ( 0.000 3.482 0.000) 3.482 24.571 ( 0.000 -0.544 0.000) 0.544 24.699 ( 0.000 0.744 0.000) 0.744 24.709 ( 0.000 0.373 0.000) 0.373 24.725 ( 0.000 7.221 0.000) 7.221 24.929 ( 0.000 9.870 0.000) 9.870 24.947 ( 0.000 -3.308 0.000) 3.308 25.344 ( 0.000 -8.802 0.000) 8.802 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.883 24.082 -6.433) 24.942 1.114 ( 9.885 18.882 0.281) 21.315 1.729 ( -2.315 -1.798 -10.043) 10.462 1.796 ( 3.737 7.217 3.511) 8.853 1.969 ( 4.356 -5.984 -1.921) 7.647 2.045 ( -5.219 -1.307 1.311) 5.537 2.100 ( -4.234 0.117 -1.574) 4.519 2.320 ( -2.405 -1.407 -0.777) 2.893 2.414 ( 3.108 0.885 -2.247) 3.936 2.466 ( 1.005 1.167 -1.060) 1.870 2.534 ( 1.782 8.959 -4.298) 10.095 2.569 ( 1.678 7.053 2.370) 7.627 2.599 ( -4.362 1.831 3.377) 5.812 2.644 ( -1.535 -1.620 3.216) 3.915 2.736 ( 6.983 0.850 -1.454) 7.183 2.800 ( 1.241 0.163 1.599) 2.031 2.890 ( -3.780 2.896 6.682) 8.206 2.956 ( -4.750 0.495 -2.953) 5.615 3.051 ( -0.264 -0.031 0.465) 0.535 3.069 ( 7.256 -6.066 -5.284) 10.834 3.122 ( 3.989 -3.962 0.643) 5.659 3.224 ( 1.463 -3.323 -2.916) 4.656 3.261 ( 1.897 -2.529 -0.144) 3.165 3.288 ( 6.588 -5.340 3.077) 9.021 3.307 ( -3.662 -0.630 -0.195) 3.721 3.399 ( 3.204 -2.719 -3.883) 5.721 3.476 ( 0.329 4.225 -3.716) 5.636 3.575 ( -1.083 -0.814 2.233) 2.612 3.602 ( -0.489 1.372 0.159) 1.465 3.698 ( 1.365 -3.071 2.042) 3.933 3.769 ( 3.786 -0.500 2.701) 4.677 3.824 ( 2.364 -1.803 1.698) 3.424 3.890 ( -1.261 3.064 2.735) 4.296 3.940 ( 0.363 5.170 4.323) 6.749 3.992 ( 8.834 1.852 -0.484) 9.039 4.020 ( 2.497 5.429 -0.376) 5.988 4.120 ( -0.812 -2.896 -0.954) 3.155 4.209 ( -5.895 8.582 -1.469) 10.514 4.281 ( -4.392 6.882 -2.786) 8.626 4.354 ( -3.775 4.360 -1.998) 6.103 4.386 ( 0.506 3.929 -2.684) 4.785 4.415 ( 3.577 6.789 -0.452) 7.687 4.481 ( 0.257 5.841 1.945) 6.162 4.514 ( 1.313 5.975 0.127) 6.119 4.607 ( 3.723 2.192 1.205) 4.485 4.671 ( -2.518 0.147 3.144) 4.031 4.715 ( 3.888 1.674 -3.979) 5.810 4.739 ( -1.401 -0.779 -0.790) 1.787 4.829 ( -1.092 -1.997 3.010) 3.774 4.911 ( 0.128 -4.082 -1.730) 4.436 4.961 ( 0.555 -5.729 -3.940) 6.975 5.018 ( 0.544 -4.767 0.055) 4.798 5.154 ( 4.686 -0.850 -2.368) 5.319 5.194 ( -3.700 -1.409 -5.100) 6.456 5.217 ( 0.152 -1.999 1.707) 2.633 5.315 ( 0.723 -4.197 -2.282) 4.832 5.345 ( 2.143 -4.702 0.832) 5.234 5.422 ( 0.568 -7.147 -0.895) 7.225 5.661 ( -2.121 3.123 -1.098) 3.931 5.901 ( -1.164 3.840 2.602) 4.783 5.959 ( 0.170 0.380 6.842) 6.854 5.985 ( -0.291 4.728 3.324) 5.787 6.098 ( -1.489 -1.129 5.955) 6.242 6.179 ( -8.554 0.148 2.764) 8.991 6.310 ( -5.010 -4.424 2.321) 7.075 6.323 ( -1.754 -4.544 -2.341) 5.404 6.473 ( -1.014 -2.717 1.836) 3.432 6.586 ( -2.962 -6.642 -0.157) 7.274 6.634 ( 1.157 -1.304 1.980) 2.638 6.682 ( 3.537 -3.428 5.467) 7.359 6.913 ( 1.089 3.344 3.218) 4.767 7.097 ( -3.691 -5.064 2.969) 6.934 7.191 ( -1.358 -0.375 -4.161) 4.393 7.237 ( -1.139 0.311 -1.795) 2.148 7.346 ( 3.621 -4.356 -1.002) 5.752 7.367 ( -2.182 4.431 1.786) 5.252 7.464 ( 2.178 -1.328 -0.070) 2.552 7.612 ( -0.703 2.272 -5.732) 6.206 7.676 ( 10.379 1.286 -1.597) 10.580 7.781 ( -2.477 0.290 1.500) 2.910 7.865 ( -0.022 5.751 -1.482) 5.938 7.997 ( -0.450 2.253 -2.646) 3.504 8.065 ( -0.727 0.306 2.119) 2.261 8.218 ( 3.806 -3.482 2.024) 5.541 8.275 ( -0.431 3.678 2.661) 4.560 8.338 ( 4.450 -0.437 1.163) 4.621 8.461 ( 4.081 5.633 0.206) 6.959 8.527 ( -1.294 4.075 4.391) 6.129 8.548 ( 2.275 1.801 1.745) 3.386 8.644 ( 3.365 1.330 -0.898) 3.728 8.886 ( 0.605 -8.378 1.069) 8.468 8.978 ( 3.165 -10.444 -0.322) 10.918 9.162 ( -3.445 1.135 -2.980) 4.695 9.250 ( -2.474 -2.521 0.761) 3.613 9.399 ( -0.192 2.164 -4.459) 4.960 9.484 ( -0.781 -1.239 -3.843) 4.113 9.605 ( -0.626 3.927 -2.787) 4.857 9.727 ( 0.024 1.084 -1.635) 1.962 9.761 ( -1.233 -0.318 -0.686) 1.446 9.844 ( -1.148 -6.603 -2.127) 7.031 9.992 ( 1.613 0.861 0.797) 1.995 10.038 ( 1.769 -1.104 -2.889) 3.563 10.130 ( 2.421 -1.553 3.427) 4.474 10.215 ( 1.919 -4.571 4.292) 6.557 10.392 ( -1.354 3.626 -0.031) 3.871 10.491 ( -4.380 -2.712 -2.083) 5.557 10.562 ( -2.353 1.497 0.311) 2.806 10.635 ( 2.306 -0.176 2.277) 3.246 10.908 ( -4.792 2.780 0.546) 5.567 10.971 ( -3.904 4.235 0.768) 5.811 11.121 ( -6.540 -0.066 -0.586) 6.567 11.188 ( -6.806 3.650 1.455) 7.858 11.352 ( 2.641 -1.817 3.810) 4.979 11.533 ( -0.844 2.612 -1.922) 3.351 11.545 ( -2.384 8.446 3.127) 9.317 11.676 ( 0.472 -7.327 -0.032) 7.343 12.025 ( -2.790 -3.610 -0.313) 4.573 12.035 ( -5.277 -0.627 0.302) 5.323 12.225 ( 7.522 -5.413 -2.949) 9.725 12.339 ( 0.261 -6.832 -2.967) 7.453 12.457 ( -2.127 2.893 0.729) 3.664 12.548 ( -4.226 -1.148 1.085) 4.511 12.671 ( 6.210 4.086 -0.372) 7.443 12.830 ( 4.935 -2.166 -0.956) 5.474 13.175 ( -2.260 4.624 -4.032) 6.538 13.283 ( -0.699 -0.440 -4.700) 4.772 13.320 ( 1.859 0.632 2.980) 3.569 13.354 ( -2.085 -0.899 4.777) 5.289 13.631 ( 8.017 5.039 6.058) 11.241 13.642 ( 4.917 4.779 4.019) 7.947 14.218 ( -4.797 5.459 -6.252) 9.587 14.242 ( -6.427 1.813 -4.615) 8.117 14.548 ( 3.121 1.992 1.567) 4.020 14.613 ( -5.389 0.853 -5.176) 7.521 14.848 ( 1.007 -1.096 -0.524) 1.578 14.959 ( 5.328 -7.807 -0.490) 9.464 15.330 ( 1.129 0.982 2.015) 2.510 15.416 ( 7.110 -1.842 -1.658) 7.529 15.477 ( -2.422 0.861 2.455) 3.554 15.580 ( 2.088 -0.620 3.828) 4.404 15.601 ( 2.272 1.902 2.877) 4.130 15.768 ( 0.471 -8.049 -0.567) 8.082 16.264 ( -0.647 3.336 -1.434) 3.688 16.444 ( 0.114 -5.407 -0.474) 5.429 16.855 ( -0.846 5.151 -0.680) 5.264 16.921 ( 0.449 1.263 0.221) 1.359 17.624 ( -0.096 0.882 0.012) 0.888 17.681 ( -0.257 -1.522 -0.043) 1.544 20.915 ( 1.547 1.902 0.870) 2.602 21.025 ( 0.752 -3.141 1.392) 3.517 21.067 ( 0.852 3.114 -1.125) 3.418 21.282 ( 3.188 -7.637 0.109) 8.277 21.982 ( -0.728 2.962 -0.869) 3.171 22.021 ( -0.083 4.697 0.012) 4.698 22.165 ( -0.080 0.420 -2.317) 2.356 22.206 ( -1.124 1.415 0.883) 2.011 22.235 ( 0.275 -0.353 -3.899) 3.925 22.320 ( 0.867 -5.568 0.928) 5.711 22.582 ( 0.214 -1.076 2.019) 2.298 22.677 ( 1.199 -3.684 0.739) 3.944 22.998 ( 0.415 2.439 -0.509) 2.526 23.005 ( 0.623 1.245 2.194) 2.598 23.109 ( -1.126 1.294 0.884) 1.929 23.201 ( -8.940 2.240 2.962) 9.681 23.354 ( 2.111 -3.206 -9.305) 10.066 23.360 ( 1.305 -4.237 -5.622) 7.160 23.809 ( -0.596 -2.106 0.790) 2.327 23.850 ( -0.577 -3.657 1.123) 3.869 24.117 ( -0.421 1.323 0.405) 1.446 24.216 ( 1.239 2.575 0.006) 2.858 24.229 ( -0.146 0.171 1.798) 1.812 24.316 ( -0.509 0.466 -0.426) 0.811 24.448 ( -0.899 7.236 -2.021) 7.566 24.588 ( 0.597 0.039 1.039) 1.199 24.679 ( -0.548 2.489 -1.146) 2.794 24.715 ( 0.936 0.944 0.820) 1.562 24.788 ( 1.258 1.363 2.417) 3.046 24.895 ( -1.416 8.487 -1.329) 8.706 24.986 ( -0.377 -4.220 5.305) 6.789 25.324 ( -1.992 -8.575 -0.329) 8.810 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 8.681 12.253 4.639) 15.717 1.278 ( 6.086 6.906 -6.558) 11.302 1.629 ( 6.218 9.922 -2.239) 11.922 1.806 ( -6.423 -0.214 -7.788) 10.097 1.919 ( -3.991 2.230 -1.209) 4.729 1.967 ( -4.220 6.398 6.147) 9.825 2.093 ( 4.669 -8.474 -1.010) 9.727 2.274 ( -3.075 -1.736 -3.010) 4.639 2.398 ( -2.234 3.536 -1.851) 4.574 2.414 ( -4.910 5.805 -4.137) 8.656 2.451 ( -3.077 -2.479 -1.943) 4.403 2.521 ( -4.086 -0.383 0.596) 4.147 2.666 ( 5.607 2.959 -2.116) 6.684 2.712 ( 1.778 -0.277 -1.563) 2.384 2.812 ( -4.887 -4.745 1.618) 7.001 2.826 ( 2.037 0.319 2.065) 2.919 2.874 ( 3.183 1.048 -2.219) 4.020 2.976 ( 2.388 2.593 6.184) 7.118 3.064 ( 6.844 0.848 -0.774) 6.939 3.143 ( 3.414 -2.889 -3.678) 5.790 3.172 ( 3.785 -0.123 1.900) 4.237 3.231 ( 0.583 -0.965 3.299) 3.487 3.282 ( 2.218 -1.832 -1.864) 3.428 3.306 ( 3.411 -4.430 -2.967) 6.329 3.396 ( 2.715 2.404 -2.717) 4.531 3.440 ( 5.359 -5.979 1.448) 8.158 3.485 ( -0.047 -2.852 -0.366) 2.875 3.553 ( 0.176 -4.591 1.488) 4.830 3.628 ( 2.002 5.066 -0.091) 5.448 3.740 ( -0.025 2.940 3.317) 4.433 3.820 ( -1.967 1.658 1.990) 3.252 3.853 ( -2.562 2.312 3.741) 5.090 3.911 ( -0.585 1.766 3.549) 4.007 4.005 ( 2.606 2.138 -0.565) 3.418 4.040 ( 0.903 3.245 -1.854) 3.845 4.063 ( -1.108 -0.869 -2.674) 3.022 4.087 ( -1.205 6.361 4.254) 7.747 4.141 ( 0.131 3.569 -5.590) 6.634 4.254 ( -1.538 5.657 2.110) 6.230 4.297 ( 1.282 0.612 -2.157) 2.583 4.350 ( 0.732 0.793 0.344) 1.133 4.439 ( 1.589 7.829 -1.743) 8.176 4.496 ( -0.088 2.872 -1.377) 3.186 4.537 ( -0.763 1.072 -0.858) 1.571 4.570 ( -3.695 3.448 -0.050) 5.054 4.653 ( 2.730 -0.014 2.426) 3.652 4.735 ( 0.431 -1.105 -0.510) 1.291 4.809 ( 3.722 -2.398 -3.627) 5.723 4.868 ( -2.220 -0.916 2.578) 3.524 4.897 ( 5.119 -2.140 1.363) 5.713 4.959 ( 3.559 -0.914 -1.069) 3.827 5.041 ( -0.359 -0.557 -1.048) 1.240 5.100 ( -1.360 0.659 -3.128) 3.474 5.202 ( 3.064 -1.333 -2.467) 4.154 5.227 ( -1.003 -2.001 0.358) 2.267 5.288 ( -0.054 -4.284 -3.139) 5.311 5.408 ( 2.727 -6.257 3.715) 7.771 5.431 ( 2.871 -2.993 -0.959) 4.257 5.631 ( -1.120 7.499 0.593) 7.606 5.843 ( -6.927 4.463 0.367) 8.248 5.958 ( -6.332 3.032 1.627) 7.206 6.016 ( -4.202 3.636 4.799) 7.342 6.063 ( -6.100 0.240 -0.242) 6.110 6.102 ( -0.353 2.506 6.153) 6.653 6.304 ( -0.962 -2.249 0.039) 2.446 6.314 ( 3.420 -5.298 2.875) 6.931 6.424 ( -3.206 -7.861 -2.559) 8.867 6.531 ( -3.032 -6.684 0.506) 7.357 6.702 ( 2.662 -2.780 3.971) 5.531 6.775 ( -0.845 -6.375 8.246) 10.457 6.913 ( -4.117 -2.671 2.891) 5.696 7.007 ( -4.368 -3.511 -5.351) 7.748 7.141 ( -0.663 0.603 -2.433) 2.593 7.250 ( 3.180 -0.611 -1.657) 3.638 7.344 ( 2.444 -1.125 -2.113) 3.421 7.432 ( -0.716 8.283 4.387) 9.400 7.525 ( 3.866 -5.269 1.779) 6.773 7.580 ( 2.884 4.853 -2.501) 6.174 7.725 ( -2.973 -2.512 -0.427) 3.915 7.818 ( 4.264 2.295 -3.533) 5.994 7.842 ( 3.044 5.316 -2.016) 6.449 7.996 ( 2.178 3.978 -0.900) 4.624 8.067 ( -3.092 -4.389 4.272) 6.861 8.219 ( -4.015 -6.599 0.747) 7.761 8.329 ( 2.342 3.329 1.504) 4.339 8.390 ( 1.922 1.197 -2.660) 3.493 8.496 ( 1.361 4.668 -0.430) 4.881 8.571 ( 1.545 7.722 4.908) 9.280 8.675 ( 3.995 -2.486 -0.949) 4.800 8.711 ( 6.398 2.088 3.854) 7.755 8.913 ( 1.022 -4.672 1.067) 4.900 9.009 ( 0.658 -8.870 -0.226) 8.897 9.069 ( -4.477 1.956 -0.484) 4.910 9.234 ( -0.908 -4.289 0.224) 4.390 9.348 ( 0.793 1.634 -5.225) 5.532 9.419 ( -0.854 -0.833 -4.066) 4.237 9.579 ( 0.752 3.041 -1.938) 3.684 9.715 ( 0.223 0.939 -0.765) 1.232 9.745 ( -0.074 0.201 -0.779) 0.808 9.801 ( -1.840 -6.491 -0.790) 6.793 10.024 ( 1.901 0.869 -0.497) 2.149 10.073 ( 4.590 -1.715 -1.474) 5.117 10.209 ( 2.277 -0.370 3.354) 4.071 10.265 ( -1.437 -3.834 3.640) 5.479 10.352 ( -3.951 -2.116 0.303) 4.492 10.396 ( -3.085 -2.821 -3.023) 5.159 10.512 ( -1.268 8.063 -1.461) 8.292 10.698 ( 2.300 0.873 1.280) 2.773 10.842 ( -2.789 -1.471 0.979) 3.302 10.868 ( -8.324 -3.222 2.157) 9.182 11.046 ( -4.764 4.831 0.042) 6.785 11.069 ( -5.181 6.666 0.771) 8.478 11.388 ( -1.514 1.304 0.221) 2.010 11.516 ( 0.693 -0.999 3.325) 3.540 11.576 ( 1.613 3.772 1.050) 4.235 11.669 ( -1.011 -6.461 -0.383) 6.551 11.929 ( -3.626 3.231 -3.153) 5.790 12.009 ( -1.391 2.606 3.102) 4.284 12.279 ( 0.929 -9.368 -3.016) 9.885 12.335 ( 2.299 -4.951 -0.992) 5.548 12.415 ( -1.204 -1.132 -0.514) 1.731 12.529 ( -0.669 -1.356 1.075) 1.856 12.754 ( 3.801 1.802 -1.264) 4.392 12.841 ( -1.390 -1.978 -1.217) 2.707 13.139 ( 1.666 5.469 -2.510) 6.244 13.249 ( 0.785 0.508 -1.818) 2.044 13.384 ( -0.906 0.233 4.890) 4.979 13.393 ( 2.713 -0.860 1.993) 3.475 13.750 ( 2.942 7.866 2.793) 8.850 13.829 ( 6.298 4.245 6.951) 10.296 14.098 ( -2.930 5.325 -5.476) 8.181 14.143 ( 1.110 4.277 -3.235) 5.476 14.462 ( -5.820 2.470 -4.121) 7.547 14.583 ( -0.504 -3.149 -0.857) 3.302 14.796 ( -2.008 2.292 -2.379) 3.866 14.990 ( 0.508 -6.893 -1.649) 7.106 15.414 ( 3.706 1.378 4.237) 5.796 15.459 ( -0.075 2.024 -0.174) 2.033 15.531 ( 4.814 -4.045 -1.286) 6.418 15.623 ( -0.102 1.749 1.913) 2.594 15.687 ( 1.915 -6.161 4.205) 7.702 15.776 ( 1.257 -6.133 -0.104) 6.262 16.232 ( -1.021 4.158 -1.661) 4.593 16.440 ( 0.008 -5.973 -0.557) 5.999 16.837 ( -0.477 6.198 -0.400) 6.230 16.928 ( 0.280 1.060 0.042) 1.097 17.622 ( -0.065 0.660 0.037) 0.665 17.676 ( -0.271 -1.487 -0.057) 1.512 20.955 ( 1.642 2.231 0.903) 2.914 21.054 ( 0.059 -1.111 2.396) 2.642 21.071 ( 1.546 2.436 -2.113) 3.576 21.335 ( 2.503 -10.341 -0.022) 10.640 21.966 ( -0.381 2.152 -0.366) 2.216 22.007 ( -0.617 3.803 -0.904) 3.957 22.148 ( -0.122 1.566 -0.988) 1.856 22.187 ( -0.964 1.524 -0.840) 1.989 22.217 ( 1.217 -0.377 -1.067) 1.662 22.325 ( -0.117 -1.550 -1.225) 1.979 22.612 ( 0.261 -3.270 2.402) 4.066 22.706 ( 1.094 -4.327 0.598) 4.503 22.966 ( -0.854 3.505 -3.350) 4.923 23.026 ( -2.292 1.450 -0.206) 2.720 23.089 ( -3.274 1.465 7.134) 7.985 23.154 ( -0.137 -1.851 4.083) 4.486 23.286 ( 2.471 -1.792 -10.155) 10.604 23.321 ( 0.294 -3.191 -5.103) 6.025 23.806 ( -0.951 -1.158 0.875) 1.736 23.855 ( -0.210 -3.923 1.239) 4.119 24.123 ( 0.275 1.993 0.875) 2.194 24.223 ( 0.386 -2.630 -1.034) 2.852 24.260 ( 0.082 3.916 3.273) 5.105 24.300 ( -0.364 1.332 -0.952) 1.677 24.434 ( 0.533 7.771 -1.001) 7.854 24.610 ( 0.730 0.660 0.950) 1.368 24.662 ( -0.169 5.070 -0.671) 5.117 24.742 ( 0.973 0.239 0.857) 1.318 24.792 ( -1.714 -1.300 0.398) 2.188 24.868 ( -0.346 10.768 -0.980) 10.818 25.025 ( -0.700 -7.626 3.723) 8.515 25.280 ( -2.152 -8.059 -0.414) 8.351 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 0.000 6.178 0.000) 6.178 1.347 ( 0.000 -0.750 0.000) 0.750 1.594 ( -0.000 8.171 -0.000) 8.171 1.748 ( 0.000 7.526 0.000) 7.526 1.916 ( 0.000 11.137 -0.000) 11.137 1.965 ( -0.000 -3.708 0.000) 3.708 2.123 ( -0.000 2.793 0.000) 2.793 2.179 ( 0.000 6.115 0.000) 6.115 2.331 ( 0.000 -3.834 -0.000) 3.834 2.366 ( 0.000 6.688 -0.000) 6.688 2.450 ( 0.000 -3.185 0.000) 3.185 2.455 ( -0.000 -4.978 -0.000) 4.978 2.698 ( -0.000 0.396 0.000) 0.396 2.729 ( 0.000 -5.696 -0.000) 5.696 2.733 ( -0.000 -1.962 0.000) 1.962 2.864 ( 0.000 -5.304 0.000) 5.304 2.901 ( 0.000 0.349 0.000) 0.349 3.035 ( 0.000 -1.356 0.000) 1.356 3.085 ( 0.000 -2.928 0.000) 2.928 3.218 ( -0.000 -0.402 0.000) 0.402 3.240 ( 0.000 4.170 -0.000) 4.170 3.276 ( -0.000 2.163 0.000) 2.163 3.284 ( 0.000 -9.899 0.000) 9.899 3.309 ( 0.000 1.077 0.000) 1.077 3.393 ( 0.000 1.008 0.000) 1.008 3.492 ( 0.000 -2.029 0.000) 2.029 3.503 ( 0.000 -0.732 0.000) 0.732 3.573 ( 0.000 -2.906 0.000) 2.906 3.655 ( 0.000 7.431 0.000) 7.431 3.762 ( 0.000 3.117 0.000) 3.117 3.807 ( 0.000 5.459 0.000) 5.459 3.833 ( 0.000 0.879 0.000) 0.879 3.950 ( 0.000 0.425 0.000) 0.425 3.989 ( -0.000 -0.553 -0.000) 0.553 3.997 ( 0.000 3.680 0.000) 3.680 4.066 ( 0.000 1.850 0.000) 1.850 4.095 ( 0.000 0.162 -0.000) 0.162 4.140 ( 0.000 0.010 0.000) 0.010 4.149 ( 0.000 6.847 -0.000) 6.847 4.347 ( 0.000 1.854 0.000) 1.854 4.398 ( 0.000 -0.298 0.000) 0.298 4.455 ( -0.000 -2.313 -0.000) 2.313 4.480 ( 0.000 11.121 0.000) 11.121 4.502 ( 0.000 3.964 0.000) 3.964 4.547 ( 0.000 -1.647 0.000) 1.647 4.701 ( 0.000 -4.249 0.000) 4.249 4.739 ( 0.000 4.167 0.000) 4.167 4.838 ( 0.000 0.710 -0.000) 0.710 4.894 ( 0.000 0.975 0.000) 0.975 4.911 ( 0.000 -2.047 -0.000) 2.047 4.992 ( 0.000 2.593 0.000) 2.593 5.010 ( 0.000 -6.284 0.000) 6.284 5.095 ( 0.000 6.082 0.000) 6.082 5.201 ( 0.000 -0.231 0.000) 0.231 5.212 ( 0.000 -5.791 -0.000) 5.791 5.275 ( 0.000 -4.514 0.000) 4.514 5.455 ( -0.000 -1.125 0.000) 1.125 5.491 ( 0.000 -9.579 -0.000) 9.579 5.619 ( 0.000 14.485 0.000) 14.485 5.759 ( 0.000 6.532 0.000) 6.532 5.878 ( 0.000 2.715 0.000) 2.715 6.002 ( 0.000 3.829 -0.000) 3.829 6.002 ( -0.000 -1.938 0.000) 1.938 6.163 ( 0.000 3.824 0.000) 3.824 6.287 ( 0.000 -2.037 0.000) 2.037 6.339 ( 0.000 -3.298 0.000) 3.298 6.399 ( 0.000 -11.227 0.000) 11.227 6.507 ( 0.000 -6.452 0.000) 6.452 6.758 ( 0.000 -2.508 0.000) 2.508 6.848 ( 0.000 -5.606 0.000) 5.606 6.866 ( 0.000 -4.684 -0.000) 4.684 6.910 ( 0.000 -5.654 0.000) 5.654 7.121 ( 0.000 0.658 0.000) 0.658 7.272 ( 0.000 -3.184 0.000) 3.184 7.361 ( 0.000 -0.997 0.000) 0.997 7.434 ( 0.000 10.190 -0.000) 10.190 7.563 ( 0.000 -2.355 0.000) 2.355 7.637 ( 0.000 6.104 0.000) 6.104 7.681 ( 0.000 -2.215 0.000) 2.215 7.805 ( 0.000 5.889 0.000) 5.889 7.890 ( 0.000 2.440 0.000) 2.440 8.037 ( 0.000 0.130 -0.000) 0.130 8.039 ( -0.000 -3.663 0.000) 3.663 8.173 ( 0.000 -9.775 0.000) 9.775 8.354 ( 0.000 3.146 0.000) 3.146 8.382 ( 0.000 3.099 0.000) 3.099 8.513 ( 0.000 5.364 0.000) 5.364 8.609 ( 0.000 6.703 -0.000) 6.703 8.705 ( 0.000 -1.547 0.000) 1.547 8.813 ( 0.000 -0.307 0.000) 0.307 8.942 ( 0.000 -2.517 0.000) 2.517 9.006 ( 0.000 2.815 0.000) 2.815 9.020 ( -0.000 -6.867 0.000) 6.867 9.209 ( 0.000 -5.516 0.000) 5.516 9.328 ( 0.000 1.663 0.000) 1.663 9.399 ( 0.000 -1.792 0.000) 1.792 9.582 ( 0.000 2.976 0.000) 2.976 9.709 ( 0.000 0.313 0.000) 0.313 9.741 ( 0.000 0.927 0.000) 0.927 9.780 ( 0.000 -5.812 0.000) 5.812 10.041 ( 0.000 1.145 0.000) 1.145 10.130 ( -0.000 -3.262 0.000) 3.262 10.235 ( 0.000 1.139 -0.000) 1.139 10.256 ( 0.000 -0.314 0.000) 0.314 10.315 ( 0.000 -5.187 0.000) 5.187 10.350 ( 0.000 -2.875 0.000) 2.875 10.499 ( 0.000 6.727 0.000) 6.727 10.718 ( 0.000 -2.002 0.000) 2.002 10.808 ( 0.000 -2.186 0.000) 2.186 10.834 ( 0.000 -1.716 0.000) 1.716 10.965 ( 0.000 5.627 0.000) 5.627 11.047 ( 0.000 5.973 0.000) 5.973 11.368 ( 0.000 4.226 0.000) 4.226 11.556 ( 0.000 -5.088 0.000) 5.088 11.606 ( 0.000 0.524 0.000) 0.524 11.645 ( 0.000 -3.676 0.000) 3.676 11.874 ( 0.000 4.215 0.000) 4.215 12.025 ( 0.000 8.463 0.000) 8.463 12.257 ( 0.000 -11.542 -0.000) 11.542 12.336 ( 0.000 0.499 0.000) 0.499 12.429 ( 0.000 -6.936 0.000) 6.936 12.525 ( 0.000 -3.030 0.000) 3.030 12.783 ( 0.000 -0.430 0.000) 0.430 12.807 ( -0.000 -1.432 0.000) 1.432 13.147 ( 0.000 6.132 0.000) 6.132 13.252 ( 0.000 1.842 0.000) 1.842 13.403 ( -0.000 1.232 0.000) 1.232 13.431 ( 0.000 -1.608 -0.000) 1.608 13.788 ( 0.000 8.861 0.000) 8.861 13.948 ( 0.000 -0.265 0.000) 0.265 14.020 ( 0.000 9.957 -0.000) 9.957 14.166 ( 0.000 3.582 0.000) 3.582 14.370 ( 0.000 3.001 0.000) 3.001 14.553 ( 0.000 -4.760 0.000) 4.760 14.772 ( 0.000 3.061 0.000) 3.061 14.981 ( 0.000 -6.122 0.000) 6.122 15.457 ( 0.000 1.645 -0.000) 1.645 15.488 ( 0.000 1.753 0.000) 1.753 15.552 ( -0.000 -1.798 0.000) 1.798 15.630 ( 0.000 0.877 0.000) 0.877 15.721 ( 0.000 -9.484 0.000) 9.484 15.798 ( 0.000 -5.014 -0.000) 5.014 16.211 ( 0.000 4.700 0.000) 4.700 16.436 ( 0.000 -6.314 0.000) 6.314 16.831 ( 0.000 6.526 0.000) 6.526 16.931 ( 0.000 1.069 0.000) 1.069 17.622 ( 0.000 0.535 0.000) 0.535 17.673 ( 0.000 -1.468 0.000) 1.468 20.975 ( 0.000 2.420 0.000) 2.420 21.068 ( 0.000 4.126 0.000) 4.126 21.074 ( 0.000 -2.123 -0.000) 2.123 21.357 ( 0.000 -11.174 0.000) 11.174 21.961 ( 0.000 1.923 0.000) 1.923 21.995 ( 0.000 3.538 0.000) 3.538 22.141 ( 0.000 1.569 0.000) 1.569 22.173 ( 0.000 1.401 0.000) 1.401 22.231 ( 0.000 -0.587 0.000) 0.587 22.310 ( 0.000 0.776 0.000) 0.776 22.629 ( 0.000 -4.149 0.000) 4.149 22.719 ( 0.000 -4.222 0.000) 4.222 22.936 ( 0.000 3.051 0.000) 3.051 22.992 ( 0.000 1.206 0.000) 1.206 23.129 ( 0.000 0.111 0.000) 0.111 23.170 ( 0.000 -0.499 0.000) 0.499 23.270 ( 0.000 -3.448 0.000) 3.448 23.273 ( -0.000 -2.198 -0.000) 2.198 23.800 ( 0.000 -0.784 0.000) 0.784 23.861 ( 0.000 -4.138 0.000) 4.138 24.133 ( 0.000 1.862 0.000) 1.862 24.219 ( 0.000 -2.220 -0.000) 2.220 24.283 ( 0.000 1.875 0.000) 1.875 24.288 ( 0.000 2.598 -0.000) 2.598 24.434 ( 0.000 7.727 0.000) 7.727 24.623 ( 0.000 -0.518 -0.000) 0.518 24.660 ( 0.000 8.425 0.000) 8.425 24.757 ( 0.000 -0.024 0.000) 0.024 24.773 ( 0.000 -2.181 0.000) 2.181 24.860 ( 0.000 10.654 0.000) 10.654 25.038 ( 0.000 -8.147 0.000) 8.147 25.257 ( 0.000 -7.769 0.000) 7.769 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.000 -21.852 0.000) 21.852 1.441 ( 0.000 21.852 0.000) 21.852 1.604 ( 0.000 -16.236 0.000) 16.236 1.604 ( 0.000 16.236 0.000) 16.236 2.019 ( 0.000 -4.212 0.000) 4.212 2.019 ( 0.000 4.212 0.000) 4.212 2.268 ( 0.000 -7.831 0.000) 7.831 2.268 ( 0.000 7.831 0.000) 7.831 2.440 ( 0.000 -2.355 0.000) 2.355 2.440 ( 0.000 2.355 0.000) 2.355 2.605 ( 0.000 -3.418 0.000) 3.418 2.605 ( 0.000 3.418 0.000) 3.418 2.676 ( 0.000 -7.160 0.000) 7.160 2.676 ( 0.000 7.160 0.000) 7.160 2.700 ( 0.000 -0.728 0.000) 0.728 2.700 ( 0.000 0.728 0.000) 0.728 2.934 ( 0.000 -0.546 0.000) 0.546 2.934 ( 0.000 0.546 0.000) 0.546 3.021 ( 0.000 -2.400 0.000) 2.400 3.021 ( 0.000 2.400 0.000) 2.400 3.132 ( 0.000 -0.817 0.000) 0.817 3.132 ( 0.000 0.817 0.000) 0.817 3.212 ( 0.000 -1.946 0.000) 1.946 3.212 ( 0.000 1.946 0.000) 1.946 3.339 ( 0.000 -12.358 0.000) 12.358 3.339 ( 0.000 12.358 0.000) 12.358 3.564 ( 0.000 -3.744 0.000) 3.744 3.564 ( 0.000 3.744 0.000) 3.744 3.622 ( 0.000 -1.984 0.000) 1.984 3.622 ( 0.000 1.984 0.000) 1.984 3.738 ( 0.000 -1.971 0.000) 1.971 3.738 ( 0.000 1.971 0.000) 1.971 3.932 ( 0.000 -0.196 0.000) 0.196 3.932 ( 0.000 0.196 0.000) 0.196 4.027 ( 0.000 -5.258 0.000) 5.258 4.027 ( 0.000 5.258 0.000) 5.258 4.233 ( 0.000 -16.603 0.000) 16.603 4.233 ( 0.000 16.603 0.000) 16.603 4.379 ( 0.000 -2.727 0.000) 2.727 4.379 ( 0.000 2.727 0.000) 2.727 4.448 ( 0.000 -1.145 0.000) 1.145 4.448 ( 0.000 1.145 0.000) 1.145 4.615 ( 0.000 -11.486 0.000) 11.486 4.615 ( 0.000 11.486 0.000) 11.486 4.661 ( 0.000 -0.517 0.000) 0.517 4.661 ( 0.000 0.517 0.000) 0.517 4.708 ( 0.000 -2.819 0.000) 2.819 4.708 ( 0.000 2.819 0.000) 2.819 4.837 ( 0.000 -3.390 0.000) 3.390 4.837 ( 0.000 3.390 0.000) 3.390 4.937 ( 0.000 -3.840 0.000) 3.840 4.937 ( 0.000 3.840 0.000) 3.840 5.155 ( 0.000 -8.547 0.000) 8.547 5.155 ( 0.000 8.547 0.000) 8.547 5.217 ( 0.000 -4.352 0.000) 4.352 5.217 ( 0.000 4.352 0.000) 4.352 5.317 ( 0.000 -3.008 0.000) 3.008 5.317 ( 0.000 3.008 0.000) 3.008 5.823 ( 0.000 -7.668 0.000) 7.668 5.823 ( 0.000 7.668 0.000) 7.668 5.922 ( 0.000 -3.057 0.000) 3.057 5.922 ( 0.000 3.057 0.000) 3.057 6.199 ( 0.000 -6.894 0.000) 6.894 6.199 ( 0.000 6.894 0.000) 6.894 6.239 ( 0.000 -1.359 0.000) 1.359 6.239 ( 0.000 1.359 0.000) 1.359 6.583 ( 0.000 -1.738 0.000) 1.738 6.583 ( 0.000 1.738 0.000) 1.738 6.586 ( 0.000 -0.430 0.000) 0.430 6.586 ( 0.000 0.430 0.000) 0.430 6.970 ( 0.000 -6.206 0.000) 6.206 6.970 ( 0.000 6.206 0.000) 6.206 7.245 ( 0.000 -2.436 0.000) 2.436 7.245 ( 0.000 2.436 0.000) 2.436 7.316 ( 0.000 -3.921 0.000) 3.921 7.316 ( 0.000 3.921 0.000) 3.921 7.523 ( 0.000 -0.704 0.000) 0.704 7.523 ( 0.000 0.704 0.000) 0.704 7.804 ( 0.000 -1.127 0.000) 1.127 7.804 ( 0.000 1.127 0.000) 1.127 7.954 ( 0.000 -3.590 0.000) 3.590 7.954 ( 0.000 3.590 0.000) 3.590 8.101 ( 0.000 -1.671 0.000) 1.671 8.101 ( 0.000 1.671 0.000) 1.671 8.289 ( 0.000 -0.670 0.000) 0.670 8.289 ( 0.000 0.670 0.000) 0.670 8.517 ( 0.000 -0.566 0.000) 0.566 8.517 ( 0.000 0.566 0.000) 0.566 8.639 ( 0.000 -9.136 0.000) 9.136 8.639 ( 0.000 9.136 0.000) 9.136 8.760 ( 0.000 -5.599 0.000) 5.599 8.760 ( 0.000 5.599 0.000) 5.599 9.245 ( 0.000 -1.354 0.000) 1.354 9.245 ( 0.000 1.354 0.000) 1.354 9.465 ( 0.000 -1.941 0.000) 1.941 9.465 ( 0.000 1.941 0.000) 1.941 9.735 ( 0.000 -5.523 0.000) 5.523 9.735 ( 0.000 5.523 0.000) 5.523 9.770 ( 0.000 -1.441 0.000) 1.441 9.770 ( 0.000 1.441 0.000) 1.441 9.991 ( 0.000 -2.280 0.000) 2.280 9.991 ( 0.000 2.280 0.000) 2.280 10.103 ( 0.000 -2.145 0.000) 2.145 10.103 ( 0.000 2.145 0.000) 2.145 10.508 ( 0.000 -4.477 0.000) 4.477 10.508 ( 0.000 4.477 0.000) 4.477 10.553 ( 0.000 -0.214 0.000) 0.214 10.553 ( 0.000 0.214 0.000) 0.214 11.087 ( 0.000 -7.403 0.000) 7.403 11.087 ( 0.000 7.403 0.000) 7.403 11.133 ( 0.000 -6.005 0.000) 6.005 11.133 ( 0.000 6.005 0.000) 6.005 11.442 ( 0.000 -9.164 0.000) 9.164 11.442 ( 0.000 9.164 0.000) 9.164 11.687 ( 0.000 -1.498 0.000) 1.498 11.687 ( 0.000 1.498 0.000) 1.498 11.959 ( 0.000 -1.375 0.000) 1.375 11.959 ( 0.000 1.375 0.000) 1.375 12.248 ( 0.000 -5.261 0.000) 5.261 12.248 ( 0.000 5.261 0.000) 5.261 12.560 ( 0.000 -1.740 0.000) 1.740 12.560 ( 0.000 1.740 0.000) 1.740 12.680 ( 0.000 -1.846 0.000) 1.846 12.680 ( 0.000 1.846 0.000) 1.846 13.292 ( 0.000 -0.473 0.000) 0.473 13.292 ( 0.000 0.473 0.000) 0.473 13.349 ( 0.000 -0.634 0.000) 0.634 13.349 ( 0.000 0.634 0.000) 0.634 13.571 ( 0.000 -2.062 0.000) 2.062 13.571 ( 0.000 2.062 0.000) 2.062 14.332 ( 0.000 -1.869 0.000) 1.869 14.332 ( 0.000 1.869 0.000) 1.869 14.640 ( 0.000 -6.660 0.000) 6.660 14.640 ( 0.000 6.660 0.000) 6.660 14.800 ( 0.000 -4.743 0.000) 4.743 14.800 ( 0.000 4.743 0.000) 4.743 15.352 ( 0.000 -1.579 0.000) 1.579 15.352 ( 0.000 1.579 0.000) 1.579 15.518 ( 0.000 -0.653 0.000) 0.653 15.518 ( 0.000 0.653 0.000) 0.653 15.631 ( 0.000 -4.796 0.000) 4.796 15.631 ( 0.000 4.796 0.000) 4.796 16.349 ( 0.000 -4.176 0.000) 4.176 16.349 ( 0.000 4.176 0.000) 4.176 16.922 ( 0.000 -0.993 0.000) 0.993 16.922 ( 0.000 0.993 0.000) 0.993 17.651 ( 0.000 -1.574 0.000) 1.574 17.651 ( 0.000 1.574 0.000) 1.574 20.942 ( 0.000 -2.873 0.000) 2.873 20.942 ( 0.000 2.873 0.000) 2.873 21.143 ( 0.000 -4.672 0.000) 4.672 21.143 ( 0.000 4.672 0.000) 4.672 22.078 ( 0.000 -1.264 0.000) 1.264 22.078 ( 0.000 1.264 0.000) 1.264 22.173 ( 0.000 -0.793 0.000) 0.793 22.173 ( 0.000 0.793 0.000) 0.793 22.243 ( 0.000 -0.987 0.000) 0.987 22.243 ( 0.000 0.987 0.000) 0.987 22.598 ( 0.000 -2.591 0.000) 2.591 22.598 ( 0.000 2.591 0.000) 2.591 22.997 ( 0.000 -0.580 0.000) 0.580 22.997 ( 0.000 0.580 0.000) 0.580 23.242 ( 0.000 -7.320 0.000) 7.320 23.242 ( 0.000 7.320 0.000) 7.320 23.324 ( 0.000 -2.707 0.000) 2.707 23.324 ( 0.000 2.707 0.000) 2.707 23.794 ( 0.000 -1.136 0.000) 1.136 23.794 ( 0.000 1.136 0.000) 1.136 24.157 ( 0.000 -2.782 0.000) 2.782 24.157 ( 0.000 2.782 0.000) 2.782 24.298 ( 0.000 -2.726 0.000) 2.726 24.298 ( 0.000 2.726 0.000) 2.726 24.544 ( 0.000 -2.048 0.000) 2.048 24.544 ( 0.000 2.048 0.000) 2.048 24.710 ( 0.000 -0.266 0.000) 0.266 24.710 ( 0.000 0.266 0.000) 0.266 24.857 ( 0.000 -5.570 0.000) 5.570 24.857 ( 0.000 5.570 0.000) 5.570 25.143 ( 0.000 -10.638 0.000) 10.638 25.143 ( 0.000 10.638 0.000) 10.638 ======================= Grid point 23 (14/80) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -2.975 -1.167 -3.458) 4.709 1.397 ( -2.975 1.167 -3.458) 4.709 1.643 ( 8.905 -5.054 -5.365) 11.560 1.643 ( 8.905 5.054 -5.365) 11.560 1.981 ( -3.899 -5.101 0.393) 6.433 1.981 ( -3.899 5.101 0.393) 6.433 2.216 ( -4.696 -6.717 -0.591) 8.217 2.216 ( -4.696 6.717 -0.591) 8.217 2.434 ( 1.458 -2.043 -2.166) 3.315 2.434 ( 1.458 2.043 -2.166) 3.315 2.622 ( -3.615 -0.324 3.032) 4.729 2.622 ( -3.615 0.324 3.032) 4.729 2.676 ( 0.646 -1.772 1.437) 2.371 2.676 ( 0.646 1.772 1.437) 2.371 2.783 ( 7.394 -5.394 -0.817) 9.189 2.783 ( 7.394 5.394 -0.817) 9.189 2.956 ( -2.659 -2.369 -1.411) 3.831 2.956 ( -2.659 2.369 -1.411) 3.831 3.017 ( 6.836 -5.164 -1.745) 8.743 3.017 ( 6.836 5.164 -1.745) 8.743 3.116 ( -2.309 -5.840 3.919) 7.402 3.116 ( -2.309 5.840 3.919) 7.402 3.264 ( 3.143 -1.410 -3.529) 4.932 3.264 ( 3.143 1.410 -3.529) 4.932 3.335 ( 3.003 -5.487 -2.437) 6.713 3.335 ( 3.003 5.487 -2.437) 6.713 3.522 ( -3.526 -2.768 -1.282) 4.662 3.522 ( -3.526 2.768 -1.282) 4.662 3.618 ( 3.168 -1.556 2.194) 4.156 3.618 ( 3.168 1.556 2.194) 4.156 3.790 ( 0.948 -1.582 3.778) 4.205 3.790 ( 0.948 1.582 3.778) 4.205 3.974 ( 4.475 -2.414 0.091) 5.085 3.974 ( 4.475 2.414 0.091) 5.086 4.024 ( -0.850 -4.141 1.972) 4.665 4.024 ( -0.850 4.141 1.972) 4.665 4.258 ( 1.082 -10.786 -2.633) 11.155 4.258 ( 1.082 10.786 -2.633) 11.155 4.334 ( -4.250 -3.566 0.476) 5.568 4.334 ( -4.250 3.566 0.476) 5.568 4.494 ( 3.030 -2.380 -1.784) 4.246 4.494 ( 3.030 2.380 -1.784) 4.246 4.555 ( -0.692 -7.930 -2.305) 8.287 4.555 ( -0.692 7.930 -2.305) 8.287 4.664 ( 1.673 -3.916 -1.048) 4.386 4.664 ( 1.673 3.916 -1.048) 4.386 4.744 ( -4.408 -2.619 -3.007) 5.944 4.744 ( -4.408 2.619 -3.007) 5.944 4.796 ( 2.802 -2.667 4.263) 5.757 4.796 ( 2.802 2.667 4.263) 5.757 4.921 ( -0.406 -3.891 -2.449) 4.615 4.921 ( -0.406 3.891 -2.449) 4.615 5.175 ( 1.733 -2.736 -1.556) 3.593 5.175 ( 1.733 2.736 -1.556) 3.593 5.242 ( 2.318 -4.421 2.461) 5.566 5.242 ( 2.318 4.421 2.461) 5.566 5.291 ( -1.630 -1.774 -1.210) 2.696 5.291 ( -1.630 1.774 -1.210) 2.696 5.816 ( -0.778 -10.261 2.085) 10.500 5.816 ( -0.778 10.261 2.085) 10.500 5.984 ( 1.929 -2.118 3.884) 4.827 5.984 ( 1.929 2.118 3.884) 4.827 6.188 ( -4.306 -6.166 2.957) 8.081 6.188 ( -4.306 6.166 2.957) 8.081 6.235 ( -1.162 -3.908 2.216) 4.640 6.235 ( -1.162 3.908 2.216) 4.640 6.491 ( -5.966 -3.265 -0.900) 6.861 6.491 ( -5.966 3.265 -0.900) 6.861 6.628 ( 0.376 -1.416 3.503) 3.797 6.628 ( 0.376 1.416 3.503) 3.797 7.001 ( -1.353 -4.568 2.897) 5.576 7.001 ( -1.353 4.568 2.897) 5.576 7.206 ( 0.693 -2.121 -4.827) 5.318 7.206 ( 0.693 2.121 -4.827) 5.318 7.327 ( 1.898 -2.891 -0.292) 3.471 7.327 ( 1.898 2.891 -0.292) 3.471 7.573 ( 2.544 -5.710 2.352) 6.679 7.573 ( 2.544 5.710 2.352) 6.679 7.740 ( -0.790 -3.528 -4.884) 6.076 7.740 ( -0.790 3.528 -4.884) 6.076 7.964 ( -0.193 -3.813 1.062) 3.963 7.964 ( -0.193 3.813 1.062) 3.963 8.133 ( 1.442 -4.448 -0.840) 4.750 8.133 ( 1.442 4.448 -0.840) 4.750 8.325 ( 1.977 -1.192 2.832) 3.654 8.325 ( 1.977 1.192 2.832) 3.654 8.532 ( 2.439 -1.708 -0.069) 2.978 8.532 ( 2.439 1.708 -0.069) 2.978 8.682 ( 2.354 -4.765 3.072) 6.139 8.682 ( 2.354 4.765 3.072) 6.139 8.781 ( 2.355 -5.315 -0.030) 5.814 8.781 ( 2.355 5.315 -0.030) 5.814 9.201 ( -3.260 -2.335 -1.198) 4.185 9.201 ( -3.260 2.335 -1.198) 4.185 9.446 ( 0.027 -2.392 -4.163) 4.801 9.446 ( 0.027 2.392 -4.163) 4.801 9.697 ( -0.190 -5.110 -4.401) 6.746 9.697 ( -0.190 5.110 -4.401) 6.746 9.761 ( -1.670 -0.696 0.652) 1.923 9.761 ( -1.670 0.696 0.652) 1.923 10.010 ( 1.562 -1.255 0.013) 2.004 10.010 ( 1.562 1.255 0.013) 2.004 10.139 ( 1.958 -2.211 3.215) 4.365 10.139 ( 1.958 2.211 3.215) 4.365 10.441 ( -4.274 -1.967 -1.695) 5.000 10.441 ( -4.274 1.967 -1.695) 5.000 10.614 ( 3.021 -2.239 2.165) 4.339 10.614 ( 3.021 2.239 2.165) 4.339 10.973 ( -9.414 -3.255 -0.763) 9.990 10.973 ( -9.414 3.255 -0.763) 9.990 11.165 ( -0.411 -4.424 2.035) 4.887 11.165 ( -0.411 4.424 2.035) 4.887 11.432 ( -1.909 -8.106 1.315) 8.431 11.432 ( -1.909 8.106 1.315) 8.431 11.662 ( -2.692 -1.259 0.684) 3.049 11.662 ( -2.692 1.259 0.684) 3.049 11.983 ( 2.157 -2.309 0.681) 3.232 11.983 ( 2.157 2.309 0.681) 3.232 12.221 ( -0.651 -4.276 -3.597) 5.625 12.221 ( -0.651 4.276 -3.597) 5.625 12.510 ( -3.364 -2.360 1.423) 4.349 12.510 ( -3.364 2.360 1.423) 4.349 12.764 ( 5.657 -4.278 -0.989) 7.161 12.764 ( 5.657 4.278 -0.989) 7.161 13.252 ( -0.942 -2.717 -5.230) 5.969 13.252 ( -0.942 2.717 -5.230) 5.969 13.336 ( -0.893 -0.869 4.553) 4.721 13.336 ( -0.893 0.869 4.553) 4.721 13.691 ( 7.094 -0.365 5.342) 8.888 13.691 ( 7.094 0.365 5.342) 8.888 14.259 ( -3.889 -0.852 -4.290) 5.852 14.259 ( -3.889 0.852 -4.290) 5.852 14.605 ( -2.082 -2.241 -2.526) 3.967 14.605 ( -2.082 2.241 -2.526) 3.967 14.852 ( 3.191 -2.509 -0.194) 4.063 14.852 ( 3.191 2.509 -0.194) 4.063 15.372 ( 2.117 -2.541 1.927) 3.827 15.372 ( 2.117 2.541 1.927) 3.827 15.525 ( -0.208 -3.601 1.456) 3.890 15.525 ( -0.208 3.601 1.456) 3.890 15.656 ( 1.794 -3.370 0.856) 3.913 15.656 ( 1.794 3.370 0.856) 3.913 16.343 ( -0.372 -4.472 -0.681) 4.538 16.343 ( -0.372 4.472 -0.681) 4.538 16.921 ( -0.001 -1.458 -0.137) 1.465 16.921 ( -0.001 1.458 -0.137) 1.465 17.649 ( -0.195 -1.540 -0.059) 1.553 17.649 ( -0.195 1.540 -0.059) 1.553 20.962 ( 1.499 -2.812 1.120) 3.378 20.962 ( 1.499 2.812 1.120) 3.378 21.152 ( 1.150 -5.264 -0.357) 5.400 21.152 ( 1.150 5.264 -0.357) 5.400 22.051 ( -0.999 -2.722 -1.954) 3.497 22.051 ( -0.999 2.722 -1.954) 3.497 22.202 ( 1.013 -4.388 1.686) 4.809 22.202 ( 1.013 4.388 1.686) 4.809 22.229 ( -0.378 -1.019 -1.039) 1.503 22.229 ( -0.378 1.019 -1.039) 1.503 22.605 ( 0.610 -2.903 0.188) 2.972 22.605 ( 0.610 2.903 0.188) 2.972 23.019 ( 0.939 -0.502 2.022) 2.285 23.019 ( 0.939 0.502 2.022) 2.285 23.180 ( -5.135 -4.499 -1.303) 6.950 23.180 ( -5.135 4.499 -1.303) 6.950 23.311 ( 2.083 -1.473 -6.039) 6.555 23.311 ( 2.083 1.473 -6.039) 6.555 23.798 ( -0.575 -1.126 1.597) 2.037 23.798 ( -0.575 1.126 1.597) 2.037 24.161 ( 0.384 -2.829 0.075) 2.856 24.161 ( 0.384 2.829 0.075) 2.856 24.303 ( 0.112 -2.081 0.485) 2.140 24.303 ( 0.112 2.081 0.485) 2.140 24.549 ( 0.467 -3.451 0.220) 3.489 24.549 ( 0.467 3.451 0.220) 3.489 24.719 ( 0.667 -0.772 0.558) 1.163 24.719 ( 0.667 0.772 0.558) 1.163 24.858 ( -0.876 -5.621 1.575) 5.903 24.858 ( -0.876 5.621 1.575) 5.903 25.126 ( -1.743 -10.583 -0.080) 10.726 25.126 ( -1.743 10.583 -0.080) 10.726 ======================= Grid point 25 (15/80) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -0.489 -6.080 -3.285) 6.928 1.320 ( -0.489 6.080 -3.285) 6.928 1.766 ( 9.599 -7.796 -6.663) 14.047 1.766 ( 9.599 7.796 -6.663) 14.047 1.924 ( -5.425 -6.449 6.355) 10.555 1.924 ( -5.425 6.449 6.355) 10.555 2.156 ( 0.457 -8.625 -1.972) 8.859 2.156 ( 0.457 8.625 -1.972) 8.859 2.408 ( -1.375 -1.046 -4.919) 5.214 2.408 ( -1.375 1.046 -4.919) 5.214 2.548 ( -5.106 -0.392 3.092) 5.982 2.548 ( -5.106 0.392 3.092) 5.982 2.704 ( -1.384 -0.935 -5.474) 5.723 2.704 ( -1.384 0.935 -5.474) 5.723 2.771 ( -3.070 -2.675 1.212) 4.248 2.771 ( -3.070 2.675 1.212) 4.248 2.960 ( 2.718 -5.273 1.175) 6.047 2.960 ( 2.718 5.273 1.175) 6.047 3.086 ( 0.143 -3.213 -1.502) 3.550 3.086 ( 0.143 3.213 -1.502) 3.550 3.172 ( 6.354 -3.658 -1.365) 7.458 3.172 ( 6.354 3.658 -1.365) 7.458 3.270 ( 6.041 -2.486 -1.773) 6.769 3.270 ( 6.041 2.486 -1.773) 6.769 3.424 ( 2.426 -1.469 2.085) 3.520 3.424 ( 2.426 1.469 2.085) 3.520 3.466 ( 0.428 -2.639 0.168) 2.679 3.466 ( 0.428 2.639 0.168) 2.679 3.748 ( 5.427 -4.628 2.505) 7.560 3.748 ( 5.427 4.628 2.505) 7.560 3.833 ( -0.369 -1.137 5.343) 5.475 3.833 ( -0.369 1.137 5.343) 5.475 3.974 ( -4.374 -4.179 1.418) 6.214 3.974 ( -4.374 4.179 1.418) 6.214 4.061 ( 3.069 -1.198 -3.766) 5.004 4.061 ( 3.069 1.198 -3.766) 5.004 4.201 ( -5.608 -1.845 -3.961) 7.109 4.201 ( -5.608 1.845 -3.961) 7.109 4.290 ( 3.092 -0.717 0.640) 3.238 4.290 ( 3.092 0.717 0.640) 3.238 4.452 ( -4.570 -5.659 -0.804) 7.318 4.452 ( -4.570 5.659 -0.804) 7.318 4.551 ( -0.386 -3.975 -0.705) 4.056 4.551 ( -0.386 3.975 -0.705) 4.056 4.643 ( -0.638 -4.328 -1.238) 4.547 4.643 ( -0.638 4.328 -1.238) 4.547 4.739 ( 6.251 -0.925 -1.084) 6.411 4.739 ( 6.251 0.925 -1.084) 6.411 4.877 ( 1.874 -2.271 0.075) 2.945 4.877 ( 1.874 2.271 0.075) 2.945 4.938 ( 3.199 -2.850 0.481) 4.311 4.938 ( 3.199 2.850 0.481) 4.311 5.178 ( -2.086 -3.016 2.095) 4.224 5.178 ( -2.086 3.016 2.095) 4.224 5.250 ( 0.200 -6.512 -2.843) 7.108 5.250 ( 0.200 6.512 -2.843) 7.108 5.314 ( 3.244 -5.284 1.209) 6.318 5.314 ( 3.244 5.284 1.209) 6.318 5.852 ( -0.813 -8.475 5.450) 10.109 5.852 ( -0.813 8.475 5.450) 10.109 5.982 ( -3.054 -1.467 -0.530) 3.430 5.982 ( -3.054 1.467 -0.530) 3.430 6.140 ( -5.554 -4.434 3.250) 7.815 6.140 ( -5.554 4.434 3.250) 7.815 6.234 ( -0.236 -3.481 0.909) 3.606 6.234 ( -0.236 3.481 0.909) 3.606 6.402 ( -2.818 -4.991 -0.389) 5.745 6.402 ( -2.818 4.991 -0.389) 5.745 6.691 ( 1.373 -2.026 5.788) 6.284 6.691 ( 1.373 2.026 5.788) 6.284 6.926 ( -5.875 -3.500 -2.485) 7.276 6.926 ( -5.875 3.500 -2.485) 7.276 7.196 ( 1.434 -4.003 -3.061) 5.239 7.196 ( 1.434 4.003 -3.061) 5.239 7.379 ( 3.217 -5.286 0.512) 6.209 7.379 ( 3.217 5.286 0.512) 6.209 7.601 ( -0.360 -4.954 1.081) 5.083 7.601 ( -0.360 4.954 1.081) 5.083 7.766 ( 6.435 -6.493 -1.474) 9.260 7.766 ( 6.435 6.493 -1.474) 9.260 7.952 ( -2.069 -4.709 0.354) 5.155 7.952 ( -2.069 4.709 0.354) 5.155 8.101 ( -3.403 -5.140 -0.737) 6.208 8.101 ( -3.403 5.140 -0.737) 6.208 8.382 ( 2.262 -1.595 -0.031) 2.768 8.382 ( 2.262 1.595 -0.031) 2.768 8.598 ( 4.500 -4.770 -0.385) 6.569 8.598 ( 4.500 4.770 -0.385) 6.569 8.745 ( 0.123 -3.898 3.653) 5.343 8.745 ( 0.123 3.898 3.653) 5.343 8.839 ( 3.956 -2.141 1.211) 4.658 8.839 ( 3.956 2.141 1.211) 4.658 9.145 ( -2.603 -4.514 -0.297) 5.220 9.145 ( -2.603 4.514 -0.297) 5.220 9.390 ( -0.073 -2.102 -4.929) 5.359 9.390 ( -0.073 2.102 -4.929) 5.359 9.662 ( 0.485 -5.518 -2.843) 6.227 9.662 ( 0.485 5.518 -2.843) 6.227 9.744 ( -0.874 -1.318 0.653) 1.711 9.744 ( -0.874 1.318 0.653) 1.711 10.044 ( 2.830 -1.140 -0.401) 3.077 10.044 ( 2.830 1.140 -0.401) 3.077 10.208 ( 1.288 -0.936 3.563) 3.902 10.208 ( 1.288 0.936 3.563) 3.902 10.347 ( -4.089 -1.516 -2.000) 4.797 10.347 ( -4.089 1.516 -2.000) 4.797 10.657 ( -0.561 -5.237 -0.286) 5.275 10.657 ( -0.561 5.237 -0.286) 5.275 10.825 ( -5.674 -0.445 1.563) 5.903 10.825 ( -5.674 0.445 1.563) 5.903 11.131 ( -4.602 -1.978 0.501) 5.034 11.131 ( -4.602 1.978 0.501) 5.034 11.426 ( -0.296 -4.871 1.844) 5.217 11.426 ( -0.296 4.871 1.844) 5.217 11.628 ( -1.677 -1.306 0.221) 2.137 11.628 ( -1.677 1.306 0.221) 2.137 12.026 ( 1.005 -4.155 0.820) 4.352 12.026 ( 1.005 4.155 0.820) 4.352 12.192 ( 1.958 -4.302 -2.056) 5.154 12.192 ( 1.958 4.302 -2.056) 5.154 12.471 ( -3.112 -3.748 0.375) 4.886 12.471 ( -3.112 3.748 0.375) 4.886 12.798 ( 0.681 -2.290 -1.981) 3.103 12.798 ( 0.681 2.290 -1.981) 3.103 13.227 ( 2.458 -2.863 -2.524) 4.540 13.227 ( 2.458 2.863 -2.524) 4.540 13.384 ( 0.407 -0.180 4.326) 4.349 13.384 ( 0.407 0.180 4.326) 4.349 13.854 ( 4.503 -1.991 4.842) 6.906 13.854 ( 4.503 1.991 4.842) 6.906 14.172 ( -0.247 -1.735 -3.980) 4.348 14.172 ( -0.247 1.735 -3.980) 4.348 14.521 ( -4.051 -3.082 -3.082) 5.951 14.521 ( -4.051 3.082 -3.082) 5.951 14.867 ( 0.364 -4.838 -1.488) 5.075 14.867 ( 0.364 4.838 -1.488) 5.075 15.457 ( 3.179 -2.868 3.197) 5.343 15.457 ( 3.179 2.868 3.197) 5.343 15.540 ( 0.947 -5.791 0.374) 5.880 15.540 ( 0.947 5.791 0.374) 5.880 15.690 ( 0.711 -3.252 1.024) 3.482 15.690 ( 0.711 3.252 1.024) 3.482 16.325 ( -0.582 -5.158 -0.835) 5.257 16.325 ( -0.582 5.158 -0.835) 5.257 16.921 ( 0.061 -2.078 -0.109) 2.082 16.921 ( 0.061 2.078 -0.109) 2.082 17.645 ( -0.196 -1.445 -0.064) 1.460 17.645 ( -0.196 1.445 -0.064) 1.460 21.005 ( 1.564 -2.597 1.219) 3.267 21.005 ( 1.564 2.597 1.219) 3.267 21.169 ( 1.108 -6.347 -0.390) 6.455 21.169 ( 1.108 6.347 -0.390) 6.455 22.021 ( -0.554 -2.297 -1.170) 2.636 22.021 ( -0.554 2.297 -1.170) 2.636 22.191 ( -0.675 -1.138 -1.344) 1.886 22.191 ( -0.675 1.138 -1.344) 1.886 22.249 ( 0.889 -4.561 1.261) 4.815 22.249 ( 0.889 4.561 1.261) 4.815 22.618 ( 0.686 -3.389 0.075) 3.458 22.618 ( 0.686 3.389 0.075) 3.458 23.026 ( -1.248 -1.740 -2.668) 3.421 23.026 ( -1.248 1.740 -2.668) 3.421 23.119 ( -2.215 -1.733 5.452) 6.134 23.119 ( -2.215 1.733 5.452) 6.134 23.273 ( 1.620 -1.180 -7.282) 7.553 23.273 ( 1.620 1.180 -7.282) 7.553 23.803 ( -0.647 -1.142 1.325) 1.865 23.803 ( -0.647 1.142 1.325) 1.865 24.170 ( 0.463 -2.536 0.032) 2.578 24.170 ( 0.463 2.536 0.032) 2.578 24.307 ( -0.124 -0.789 0.410) 0.898 24.307 ( -0.124 0.789 0.410) 0.898 24.561 ( 0.563 -4.754 0.095) 4.788 24.561 ( 0.563 4.754 0.095) 4.788 24.739 ( 0.844 -0.654 0.527) 1.191 24.739 ( 0.844 0.654 0.527) 1.191 24.857 ( -1.127 -7.950 1.509) 8.170 24.857 ( -1.127 7.950 1.509) 8.170 25.092 ( -1.731 -10.289 -0.160) 10.434 25.092 ( -1.731 10.289 -0.160) 10.434 ======================= Grid point 27 (16/80) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.000 -3.589 0.000) 3.589 1.310 ( 0.000 3.589 0.000) 3.589 1.781 ( 0.000 -10.342 -0.000) 10.342 1.781 ( 0.000 10.342 0.000) 10.342 1.943 ( -0.000 -9.671 0.000) 9.671 1.943 ( 0.000 9.671 -0.000) 9.671 2.170 ( -0.000 -0.654 0.000) 0.654 2.170 ( 0.000 0.654 0.000) 0.654 2.345 ( 0.000 -3.838 0.000) 3.838 2.345 ( 0.000 3.838 0.000) 3.838 2.527 ( 0.000 -0.471 -0.000) 0.471 2.527 ( 0.000 0.471 0.000) 0.471 2.617 ( 0.000 -0.261 0.000) 0.261 2.617 ( 0.000 0.261 0.000) 0.261 2.763 ( 0.000 -3.681 0.000) 3.681 2.763 ( 0.000 3.681 0.000) 3.681 2.997 ( 0.000 -5.775 0.000) 5.775 2.997 ( 0.000 5.775 0.000) 5.775 3.066 ( 0.000 -4.116 0.000) 4.116 3.066 ( 0.000 4.116 0.000) 4.116 3.246 ( -0.000 -2.922 0.000) 2.922 3.246 ( 0.000 2.922 -0.000) 2.922 3.307 ( 0.000 -1.651 0.000) 1.651 3.307 ( -0.000 1.652 0.000) 1.652 3.443 ( 0.000 -2.738 0.000) 2.738 3.443 ( -0.000 2.738 0.000) 2.738 3.522 ( 0.000 -2.368 0.000) 2.368 3.522 ( 0.000 2.368 -0.000) 2.368 3.785 ( 0.000 -2.690 0.000) 2.690 3.785 ( 0.000 2.690 0.000) 2.690 3.882 ( -0.000 -3.088 0.000) 3.088 3.882 ( 0.000 3.088 -0.000) 3.088 3.929 ( 0.000 -4.139 -0.000) 4.139 3.929 ( 0.000 4.139 0.000) 4.139 4.064 ( 0.000 -1.820 0.000) 1.820 4.064 ( 0.000 1.820 0.000) 1.820 4.105 ( 0.000 -1.677 -0.000) 1.677 4.105 ( 0.000 1.677 0.000) 1.677 4.330 ( 0.000 -4.339 -0.000) 4.339 4.330 ( 0.000 4.339 0.000) 4.339 4.393 ( 0.000 -3.932 0.000) 3.932 4.393 ( 0.000 3.932 0.000) 3.932 4.559 ( 0.000 -0.384 0.000) 0.384 4.559 ( -0.000 0.384 0.000) 0.384 4.646 ( 0.000 -2.586 0.000) 2.586 4.646 ( 0.000 2.586 0.000) 2.586 4.799 ( 0.000 -4.322 0.000) 4.322 4.799 ( 0.000 4.322 0.000) 4.322 4.892 ( 0.000 -6.103 0.000) 6.103 4.892 ( 0.000 6.103 0.000) 6.103 4.959 ( 0.000 -4.920 0.000) 4.920 4.959 ( 0.000 4.920 0.000) 4.920 5.175 ( 0.000 -0.360 0.000) 0.360 5.175 ( 0.000 0.360 -0.000) 0.360 5.230 ( 0.000 -2.362 0.000) 2.362 5.230 ( 0.000 2.362 0.000) 2.362 5.360 ( 0.000 -0.764 0.000) 0.764 5.360 ( 0.000 0.764 0.000) 0.764 5.860 ( 0.000 -3.403 0.000) 3.403 5.860 ( 0.000 3.403 0.000) 3.403 5.962 ( 0.000 -10.781 0.000) 10.781 5.962 ( 0.000 10.781 0.000) 10.781 6.085 ( 0.000 -7.492 -0.000) 7.492 6.085 ( -0.000 7.492 0.000) 7.492 6.245 ( 0.000 -5.617 0.000) 5.617 6.245 ( 0.000 5.617 0.000) 5.617 6.379 ( 0.000 -5.471 0.000) 5.471 6.379 ( 0.000 5.471 0.000) 5.471 6.773 ( -0.000 -3.671 -0.000) 3.671 6.773 ( 0.000 3.671 0.000) 3.671 6.817 ( 0.000 -2.145 0.000) 2.145 6.817 ( 0.000 2.145 0.000) 2.145 7.188 ( 0.000 -4.651 0.000) 4.651 7.188 ( 0.000 4.651 0.000) 4.651 7.412 ( 0.000 -5.734 0.000) 5.734 7.412 ( 0.000 5.734 0.000) 5.734 7.609 ( 0.000 -4.904 0.000) 4.904 7.609 ( 0.000 4.904 0.000) 4.904 7.838 ( 0.000 -7.891 0.000) 7.891 7.838 ( 0.000 7.891 0.000) 7.891 7.922 ( 0.000 -2.057 0.000) 2.057 7.922 ( 0.000 2.057 0.000) 2.057 8.054 ( 0.000 -2.217 0.000) 2.217 8.054 ( 0.000 2.217 0.000) 2.217 8.399 ( 0.000 -0.833 0.000) 0.833 8.399 ( 0.000 0.833 0.000) 0.833 8.639 ( 0.000 -5.284 0.000) 5.284 8.639 ( 0.000 5.284 -0.000) 5.284 8.761 ( -0.000 -6.304 0.000) 6.304 8.761 ( 0.000 6.304 0.000) 6.304 8.905 ( 0.000 -1.346 0.000) 1.346 8.905 ( 0.000 1.346 0.000) 1.346 9.104 ( 0.000 -5.319 0.000) 5.319 9.104 ( 0.000 5.319 0.000) 5.319 9.366 ( 0.000 -1.791 0.000) 1.791 9.366 ( 0.000 1.791 0.000) 1.791 9.652 ( 0.000 -4.454 0.000) 4.454 9.652 ( 0.000 4.454 0.000) 4.454 9.741 ( 0.000 -0.862 0.000) 0.862 9.741 ( 0.000 0.862 0.000) 0.862 10.077 ( 0.000 -2.143 0.000) 2.143 10.077 ( 0.000 2.143 0.000) 2.143 10.239 ( 0.000 -1.410 0.000) 1.410 10.239 ( 0.000 1.410 -0.000) 1.410 10.292 ( 0.000 -2.718 0.000) 2.718 10.292 ( 0.000 2.718 0.000) 2.718 10.625 ( 0.000 -5.580 0.000) 5.580 10.625 ( 0.000 5.580 0.000) 5.580 10.808 ( 0.000 -0.843 0.000) 0.843 10.808 ( -0.000 0.843 0.000) 0.843 11.079 ( 0.000 -3.602 0.000) 3.602 11.079 ( 0.000 3.602 0.000) 3.602 11.439 ( 0.000 -4.693 0.000) 4.693 11.439 ( 0.000 4.693 0.000) 4.693 11.613 ( 0.000 -0.165 0.000) 0.165 11.613 ( 0.000 0.165 0.000) 0.165 12.032 ( 0.000 -9.975 0.000) 9.975 12.032 ( 0.000 9.975 0.000) 9.975 12.220 ( 0.000 -9.878 0.000) 9.878 12.220 ( 0.000 9.878 0.000) 9.878 12.431 ( 0.000 -4.820 0.000) 4.820 12.431 ( 0.000 4.820 0.000) 4.820 12.787 ( 0.000 -0.662 0.000) 0.662 12.787 ( 0.000 0.662 0.000) 0.662 13.243 ( 0.000 -2.941 0.000) 2.941 13.243 ( 0.000 2.941 0.000) 2.941 13.414 ( 0.000 -0.259 0.000) 0.259 13.414 ( 0.000 0.259 0.000) 0.259 13.916 ( 0.000 -3.519 0.000) 3.519 13.916 ( 0.000 3.519 0.000) 3.519 14.165 ( 0.000 -3.884 0.000) 3.884 14.165 ( 0.000 3.884 0.000) 3.884 14.452 ( 0.000 -4.897 0.000) 4.897 14.452 ( 0.000 4.897 0.000) 4.897 14.860 ( 0.000 -5.368 0.000) 5.368 14.860 ( 0.000 5.368 0.000) 5.368 15.501 ( 0.000 -2.532 0.000) 2.532 15.501 ( 0.000 2.532 -0.000) 2.532 15.558 ( -0.000 -5.627 0.000) 5.627 15.558 ( 0.000 5.627 0.000) 5.627 15.700 ( 0.000 -4.402 0.000) 4.402 15.700 ( 0.000 4.402 0.000) 4.402 16.314 ( 0.000 -5.582 0.000) 5.582 16.314 ( 0.000 5.582 0.000) 5.582 16.921 ( 0.000 -2.314 0.000) 2.314 16.921 ( 0.000 2.314 0.000) 2.314 17.642 ( 0.000 -1.387 0.000) 1.387 17.642 ( 0.000 1.387 0.000) 1.387 21.026 ( 0.000 -2.497 0.000) 2.497 21.026 ( 0.000 2.497 0.000) 2.497 21.177 ( 0.000 -6.849 0.000) 6.849 21.177 ( 0.000 6.849 0.000) 6.849 22.010 ( 0.000 -1.965 0.000) 1.965 22.010 ( 0.000 1.965 0.000) 1.965 22.177 ( 0.000 -0.928 0.000) 0.928 22.177 ( 0.000 0.928 0.000) 0.928 22.264 ( 0.000 -4.131 0.000) 4.131 22.264 ( 0.000 4.131 0.000) 4.131 22.625 ( 0.000 -3.626 0.000) 3.626 22.625 ( 0.000 3.626 0.000) 3.626 22.990 ( 0.000 -1.734 0.000) 1.734 22.990 ( 0.000 1.734 0.000) 1.734 23.149 ( -0.000 -1.485 0.000) 1.485 23.149 ( 0.000 1.485 0.000) 1.485 23.238 ( 0.000 -0.614 -0.000) 0.614 23.238 ( 0.000 0.614 0.000) 0.614 23.804 ( 0.000 -1.394 0.000) 1.394 23.804 ( 0.000 1.394 0.000) 1.394 24.174 ( 0.000 -2.116 0.000) 2.116 24.174 ( 0.000 2.116 -0.000) 2.116 24.308 ( 0.000 -0.372 0.000) 0.372 24.308 ( 0.000 0.372 -0.000) 0.372 24.566 ( 0.000 -5.075 0.000) 5.075 24.566 ( 0.000 5.075 0.000) 5.075 24.751 ( 0.000 -0.039 0.000) 0.039 24.751 ( 0.000 0.039 0.000) 0.039 24.854 ( 0.000 -9.751 0.000) 9.751 24.854 ( 0.000 9.751 0.000) 9.751 25.075 ( 0.000 -10.045 0.000) 10.045 25.075 ( 0.000 10.045 0.000) 10.045 ======================= Grid point 49 (17/80) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 3.677 0.000 23.809) 24.091 0.508 ( -8.781 0.000 27.341) 28.716 1.032 ( -4.715 0.000 51.426) 51.641 1.777 ( -11.870 0.000 -11.737) 16.693 1.896 ( -1.928 0.000 -6.228) 6.520 2.020 ( 0.553 0.000 2.615) 2.673 2.113 ( -1.749 0.000 -3.135) 3.590 2.244 ( 1.148 0.000 -1.388) 1.802 2.262 ( 1.064 0.000 -4.396) 4.523 2.392 ( 6.746 0.000 -5.587) 8.759 2.463 ( -0.365 0.000 0.347) 0.504 2.559 ( -4.547 0.000 5.520) 7.152 2.582 ( 2.366 0.000 -6.006) 6.455 2.621 ( -0.316 0.000 -1.036) 1.083 2.762 ( -3.251 0.000 1.613) 3.629 2.907 ( 2.076 0.000 5.842) 6.200 2.924 ( -0.100 0.000 -9.134) 9.134 3.044 ( -5.533 0.000 -6.819) 8.781 3.112 ( 6.957 0.000 -2.165) 7.286 3.169 ( 2.582 0.000 -0.661) 2.665 3.214 ( 0.055 0.000 6.155) 6.156 3.220 ( 2.994 0.000 0.427) 3.024 3.231 ( 12.596 0.000 -4.337) 13.322 3.264 ( -1.715 0.000 2.126) 2.732 3.423 ( 4.853 0.000 0.902) 4.936 3.426 ( 0.677 0.000 -1.638) 1.773 3.484 ( 0.280 0.000 0.517) 0.588 3.491 ( -2.815 0.000 2.936) 4.068 3.669 ( 1.763 0.000 -2.035) 2.692 3.672 ( 1.740 0.000 3.432) 3.848 3.685 ( -4.589 0.000 2.286) 5.127 3.702 ( 0.518 0.000 -1.744) 1.820 3.747 ( 0.658 0.000 -1.770) 1.889 3.884 ( 4.583 0.000 2.178) 5.074 3.946 ( -5.303 0.000 12.634) 13.702 3.954 ( -9.241 0.000 -4.117) 10.117 3.999 ( 2.338 0.000 -3.131) 3.908 4.141 ( -0.135 0.000 2.631) 2.634 4.158 ( 1.228 0.000 -1.476) 1.920 4.205 ( -0.517 0.000 -3.235) 3.276 4.216 ( 13.245 0.000 4.780) 14.081 4.325 ( -0.430 0.000 0.945) 1.039 4.372 ( 2.936 0.000 4.479) 5.355 4.397 ( -2.341 0.000 -1.267) 2.662 4.524 ( -6.068 0.000 6.295) 8.744 4.596 ( 6.482 0.000 5.102) 8.249 4.605 ( 4.478 0.000 0.898) 4.567 4.774 ( -0.969 0.000 -2.715) 2.883 4.799 ( -3.002 0.000 -7.555) 8.129 4.919 ( -4.555 0.000 -2.622) 5.256 4.960 ( -1.820 0.000 2.541) 3.125 5.030 ( 2.536 0.000 -11.231) 11.514 5.211 ( -3.869 0.000 -2.034) 4.372 5.291 ( -1.559 0.000 -1.277) 2.015 5.345 ( -4.745 0.000 -5.523) 7.282 5.406 ( 0.491 0.000 -7.568) 7.584 5.428 ( 9.616 0.000 -1.255) 9.697 5.556 ( 2.355 0.000 -2.970) 3.791 5.620 ( -2.486 0.000 4.348) 5.009 5.750 ( 1.175 0.000 1.607) 1.991 5.801 ( 4.475 0.000 -3.651) 5.775 6.004 ( 0.727 0.000 8.446) 8.478 6.332 ( 18.753 0.000 2.994) 18.990 6.381 ( -8.377 0.000 -2.616) 8.776 6.384 ( -5.747 0.000 1.157) 5.863 6.530 ( 2.068 0.000 -0.575) 2.146 6.561 ( -12.017 0.000 2.145) 12.207 6.572 ( 6.400 0.000 5.854) 8.673 6.739 ( -3.082 0.000 -1.337) 3.359 6.929 ( 1.940 0.000 1.811) 2.654 7.081 ( 10.075 0.000 -7.250) 12.413 7.190 ( -3.197 0.000 -0.012) 3.197 7.195 ( 7.991 0.000 0.334) 7.998 7.313 ( 12.221 0.000 -0.694) 12.241 7.351 ( 9.419 0.000 2.210) 9.675 7.439 ( 6.795 0.000 -2.511) 7.244 7.462 ( -1.141 0.000 1.790) 2.122 7.630 ( -2.355 0.000 2.166) 3.200 7.665 ( 11.699 0.000 1.989) 11.867 7.674 ( -6.919 0.000 3.357) 7.690 7.902 ( -3.411 0.000 -4.172) 5.389 7.983 ( -10.157 0.000 -4.858) 11.259 8.099 ( -5.865 0.000 4.451) 7.362 8.104 ( 5.030 0.000 1.623) 5.286 8.199 ( -8.963 0.000 5.013) 10.269 8.377 ( 1.480 0.000 4.570) 4.803 8.463 ( 8.374 0.000 -0.627) 8.398 8.503 ( -2.879 0.000 4.588) 5.416 8.532 ( 6.759 0.000 0.643) 6.790 8.576 ( 2.631 0.000 -0.322) 2.650 9.004 ( 3.417 0.000 -3.402) 4.821 9.181 ( -2.984 0.000 -5.560) 6.310 9.227 ( -3.677 0.000 -4.232) 5.606 9.319 ( 5.756 0.000 1.931) 6.071 9.322 ( -1.001 0.000 -2.367) 2.570 9.534 ( -1.964 0.000 3.283) 3.826 9.616 ( -0.962 0.000 -13.238) 13.273 9.754 ( 5.520 0.000 0.088) 5.520 9.769 ( 0.506 0.000 -2.653) 2.701 9.916 ( -1.264 0.000 -4.606) 4.776 9.924 ( 0.875 0.000 0.455) 0.986 10.004 ( -2.946 0.000 -4.484) 5.365 10.228 ( -0.078 0.000 4.322) 4.323 10.269 ( -10.285 0.000 6.143) 11.980 10.497 ( 0.081 0.000 -2.797) 2.798 10.499 ( 1.814 0.000 1.723) 2.502 10.563 ( 3.894 0.000 -3.088) 4.970 10.585 ( 7.456 0.000 1.192) 7.551 10.770 ( -2.376 0.000 4.690) 5.258 10.922 ( 0.894 0.000 -1.682) 1.905 11.061 ( 2.521 0.000 -4.693) 5.327 11.088 ( -0.424 0.000 -1.249) 1.319 11.250 ( 1.441 0.000 7.830) 7.962 11.537 ( -4.509 0.000 2.433) 5.123 11.683 ( -5.066 0.000 4.902) 7.049 11.938 ( -4.333 0.000 -1.030) 4.454 12.014 ( 1.274 0.000 -1.947) 2.326 12.110 ( -0.338 0.000 -4.027) 4.041 12.247 ( 3.350 0.000 -1.346) 3.610 12.450 ( -6.855 0.000 7.449) 10.123 12.479 ( -1.620 0.000 0.029) 1.621 12.527 ( -1.895 0.000 0.185) 1.904 12.631 ( 13.905 0.000 -3.191) 14.266 12.668 ( -2.000 0.000 -0.971) 2.223 12.969 ( -0.512 0.000 -5.238) 5.263 13.080 ( 2.782 0.000 -2.209) 3.552 13.246 ( 0.721 0.000 -0.086) 0.726 13.350 ( -2.349 0.000 -1.195) 2.635 13.436 ( 0.736 0.000 10.377) 10.403 13.450 ( 1.652 0.000 2.651) 3.124 13.673 ( 0.997 0.000 0.144) 1.008 14.300 ( -6.319 0.000 -7.111) 9.513 14.478 ( 8.513 0.000 3.170) 9.085 14.641 ( -4.821 0.000 -1.091) 4.943 14.883 ( 11.458 0.000 0.129) 11.459 14.906 ( -1.892 0.000 0.358) 1.925 15.326 ( -0.908 0.000 -2.251) 2.427 15.391 ( -3.067 0.000 -2.055) 3.692 15.497 ( 1.751 0.000 5.980) 6.231 15.548 ( 4.852 0.000 6.308) 7.958 16.018 ( -12.526 0.000 -1.436) 12.608 16.050 ( -0.243 0.000 -0.689) 0.730 16.098 ( -7.212 0.000 2.137) 7.522 16.488 ( 1.664 0.000 -5.276) 5.532 16.654 ( -1.128 0.000 3.215) 3.408 16.875 ( 1.430 0.000 -1.649) 2.183 17.618 ( -0.231 0.000 0.918) 0.946 17.713 ( 0.319 0.000 -0.607) 0.685 20.867 ( 0.224 0.000 0.658) 0.695 20.975 ( 0.385 0.000 -1.687) 1.730 21.141 ( -2.069 0.000 2.833) 3.508 21.405 ( 13.822 0.000 -2.026) 13.969 21.887 ( 0.289 0.000 0.721) 0.777 21.891 ( 0.385 0.000 0.807) 0.894 21.987 ( 0.764 0.000 -0.109) 0.772 22.067 ( -0.600 0.000 -1.769) 1.868 22.199 ( -2.332 0.000 1.910) 3.014 22.445 ( -1.655 0.000 -5.767) 6.000 22.622 ( -0.090 0.000 2.249) 2.251 22.828 ( 1.565 0.000 -4.867) 5.112 22.918 ( 0.717 0.000 0.289) 0.773 23.021 ( 0.924 0.000 5.435) 5.513 23.126 ( 6.504 0.000 -2.082) 6.829 23.132 ( 3.588 0.000 4.349) 5.638 23.439 ( -1.843 0.000 -0.256) 1.861 23.809 ( -27.982 0.000 -8.783) 29.328 23.899 ( 0.380 0.000 2.077) 2.112 23.987 ( 0.517 0.000 1.386) 1.480 24.008 ( -0.130 0.000 0.356) 0.379 24.044 ( -6.955 0.000 3.330) 7.711 24.153 ( 2.787 0.000 -3.327) 4.340 24.287 ( 1.448 0.000 -2.654) 3.023 24.418 ( -9.358 0.000 5.216) 10.713 24.502 ( -1.655 0.000 3.358) 3.744 24.604 ( -1.208 0.000 1.278) 1.758 24.672 ( 1.363 0.000 -0.340) 1.405 24.686 ( -2.223 0.000 -0.406) 2.259 24.894 ( -0.373 0.000 -2.237) 2.268 25.229 ( 14.627 0.000 1.809) 14.738 25.513 ( 1.724 0.000 -2.791) 3.280 ======================= Grid point 50 (18/80) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 13.772 0.000 17.539) 22.300 0.846 ( 13.913 0.000 20.551) 24.818 1.405 ( -15.060 0.000 -9.608) 17.864 1.555 ( 7.722 0.000 22.809) 24.080 1.760 ( -2.399 0.000 -10.066) 10.348 2.037 ( -5.725 0.000 -2.622) 6.297 2.049 ( -2.301 0.000 2.592) 3.466 2.237 ( -1.590 0.000 -5.220) 5.456 2.322 ( 7.143 0.000 13.056) 14.883 2.424 ( -2.378 0.000 -3.616) 4.328 2.429 ( 0.473 0.000 -4.129) 4.156 2.484 ( 2.789 0.000 0.431) 2.823 2.572 ( -2.771 0.000 6.076) 6.678 2.647 ( 5.346 0.000 -9.708) 11.082 2.734 ( -5.314 0.000 -4.131) 6.731 2.777 ( 3.207 0.000 5.029) 5.965 2.964 ( 2.134 0.000 -1.407) 2.557 2.992 ( 3.082 0.000 2.519) 3.981 3.132 ( -3.773 0.000 0.954) 3.892 3.138 ( 1.783 0.000 -7.163) 7.382 3.271 ( 2.882 0.000 -1.684) 3.337 3.308 ( 0.585 0.000 1.627) 1.729 3.335 ( 0.092 0.000 -7.528) 7.529 3.356 ( -2.032 0.000 -2.518) 3.235 3.364 ( 2.050 0.000 -0.569) 2.127 3.416 ( 1.623 0.000 3.045) 3.451 3.514 ( 2.626 0.000 2.474) 3.607 3.599 ( 9.114 0.000 0.374) 9.122 3.667 ( 3.048 0.000 -0.965) 3.198 3.672 ( -4.162 0.000 -2.223) 4.718 3.682 ( 0.958 0.000 3.972) 4.086 3.773 ( 2.214 0.000 -0.155) 2.219 3.776 ( -0.580 0.000 -0.465) 0.743 3.893 ( 3.176 0.000 1.634) 3.571 3.895 ( -0.329 0.000 4.307) 4.320 4.016 ( 4.036 0.000 -3.448) 5.308 4.051 ( 2.144 0.000 6.435) 6.783 4.112 ( -4.887 0.000 5.443) 7.315 4.150 ( 2.809 0.000 -3.152) 4.222 4.219 ( -1.514 0.000 6.454) 6.629 4.297 ( -4.218 0.000 -3.710) 5.617 4.343 ( -5.441 0.000 2.620) 6.039 4.353 ( 6.601 0.000 -1.954) 6.884 4.479 ( -2.447 0.000 6.058) 6.534 4.589 ( 9.584 0.000 5.433) 11.017 4.639 ( -3.324 0.000 -9.265) 9.844 4.662 ( 2.745 0.000 -2.301) 3.582 4.724 ( 7.575 0.000 -0.698) 7.607 4.782 ( 4.796 0.000 -2.206) 5.279 4.935 ( 6.504 0.000 -2.056) 6.821 4.955 ( 3.184 0.000 -8.691) 9.256 4.962 ( -1.040 0.000 3.563) 3.712 5.088 ( -1.966 0.000 -9.291) 9.497 5.189 ( -8.473 0.000 -4.406) 9.550 5.219 ( -5.128 0.000 -3.411) 6.159 5.360 ( 1.196 0.000 -6.620) 6.727 5.432 ( -6.986 0.000 2.635) 7.467 5.561 ( -0.004 0.000 1.016) 1.016 5.649 ( 2.648 0.000 0.253) 2.660 5.817 ( 3.157 0.000 2.716) 4.164 5.828 ( 1.055 0.000 -3.159) 3.331 6.044 ( -6.023 0.000 8.104) 10.097 6.213 ( -8.362 0.000 -3.610) 9.108 6.220 ( -7.236 0.000 0.165) 7.238 6.400 ( -7.747 0.000 -0.724) 7.781 6.554 ( 2.750 0.000 -1.305) 3.044 6.644 ( -4.780 0.000 -0.785) 4.845 6.708 ( 12.481 0.000 9.590) 15.740 6.714 ( 3.391 0.000 3.989) 5.235 6.950 ( -0.639 0.000 -0.683) 0.935 7.025 ( -1.761 0.000 -7.217) 7.429 7.169 ( -7.681 0.000 0.911) 7.735 7.180 ( 1.059 0.000 1.776) 2.068 7.349 ( -3.933 0.000 -4.880) 6.268 7.429 ( 0.320 0.000 1.625) 1.657 7.482 ( 2.504 0.000 4.687) 5.313 7.490 ( 4.898 0.000 -3.005) 5.746 7.585 ( -4.914 0.000 2.196) 5.382 7.635 ( -17.386 0.000 6.102) 18.425 7.770 ( 11.830 0.000 1.146) 11.886 7.775 ( -3.761 0.000 -6.582) 7.581 7.854 ( 4.865 0.000 0.118) 4.866 8.045 ( -5.394 0.000 3.790) 6.593 8.212 ( 3.806 0.000 1.608) 4.131 8.264 ( 3.898 0.000 1.503) 4.177 8.415 ( -6.725 0.000 3.728) 7.689 8.467 ( 2.609 0.000 4.356) 5.077 8.593 ( 6.397 0.000 5.181) 8.231 8.616 ( 1.305 0.000 -0.155) 1.315 8.698 ( 3.746 0.000 -1.800) 4.156 8.999 ( -6.965 0.000 -7.732) 10.407 9.044 ( 4.340 0.000 -2.975) 5.262 9.187 ( 5.145 0.000 -2.903) 5.907 9.246 ( -4.492 0.000 -2.689) 5.235 9.411 ( 3.586 0.000 -0.390) 3.608 9.455 ( 0.319 0.000 -7.673) 7.680 9.586 ( 2.289 0.000 -2.338) 3.271 9.665 ( -10.204 0.000 6.261) 11.972 9.781 ( 3.259 0.000 -1.428) 3.558 9.854 ( -3.029 0.000 -3.081) 4.320 9.965 ( 3.649 0.000 -0.357) 3.666 10.018 ( 6.722 0.000 -4.987) 8.370 10.189 ( -5.298 0.000 3.831) 6.538 10.276 ( 1.038 0.000 3.233) 3.396 10.437 ( -2.474 0.000 -1.420) 2.852 10.481 ( -5.359 0.000 -0.920) 5.438 10.589 ( 1.799 0.000 -0.411) 1.845 10.617 ( -1.326 0.000 -0.134) 1.333 10.793 ( -0.351 0.000 4.358) 4.372 10.893 ( -1.736 0.000 -3.190) 3.632 11.020 ( -3.127 0.000 -1.470) 3.455 11.039 ( -3.792 0.000 -0.089) 3.793 11.362 ( 1.576 0.000 8.832) 8.972 11.479 ( 0.656 0.000 3.428) 3.490 11.564 ( -11.141 0.000 1.681) 11.267 11.950 ( -6.147 0.000 -3.788) 7.220 12.022 ( -2.800 0.000 1.639) 3.244 12.114 ( 6.124 0.000 -5.896) 8.501 12.259 ( 1.578 0.000 -2.840) 3.249 12.428 ( -4.319 0.000 6.570) 7.862 12.489 ( 6.996 0.000 -4.282) 8.203 12.553 ( 4.942 0.000 -0.214) 4.947 12.657 ( 0.810 0.000 0.341) 0.879 12.912 ( 17.486 0.000 -8.222) 19.323 12.924 ( 1.006 0.000 -3.876) 4.004 13.050 ( -3.297 0.000 -0.593) 3.350 13.280 ( -3.548 0.000 -1.456) 3.835 13.321 ( 7.158 0.000 -1.430) 7.299 13.541 ( 1.435 0.000 6.100) 6.266 13.552 ( 4.628 0.000 4.210) 6.257 13.773 ( 6.905 0.000 4.638) 8.318 14.091 ( -7.291 0.000 -6.807) 9.974 14.503 ( -7.692 0.000 -2.427) 8.066 14.634 ( 6.090 0.000 2.720) 6.670 14.818 ( -6.396 0.000 -3.169) 7.138 15.095 ( 8.670 0.000 -6.161) 10.636 15.348 ( 2.153 0.000 -2.833) 3.558 15.357 ( 4.135 0.000 1.285) 4.330 15.559 ( -0.550 0.000 3.557) 3.599 15.705 ( 4.358 0.000 8.346) 9.415 15.882 ( -3.404 0.000 0.855) 3.509 16.045 ( 0.609 0.000 -0.652) 0.892 16.073 ( -1.072 0.000 0.829) 1.355 16.477 ( 3.021 0.000 -4.575) 5.483 16.665 ( -1.356 0.000 2.887) 3.189 16.861 ( -0.250 0.000 -1.742) 1.760 17.625 ( -0.227 0.000 1.013) 1.038 17.709 ( 0.037 0.000 -0.697) 0.698 20.888 ( 1.065 0.000 1.022) 1.476 20.965 ( 0.682 0.000 -1.947) 2.063 21.139 ( -1.343 0.000 2.539) 2.872 21.626 ( 15.796 0.000 -11.555) 19.571 21.904 ( 0.614 0.000 0.987) 1.162 21.925 ( 3.364 0.000 -0.305) 3.378 22.006 ( 1.375 0.000 0.222) 1.393 22.029 ( -1.163 0.000 -2.223) 2.509 22.173 ( -2.369 0.000 1.343) 2.723 22.367 ( -1.810 0.000 -3.350) 3.808 22.636 ( 0.415 0.000 -0.260) 0.490 22.816 ( 2.262 0.000 -3.867) 4.480 22.953 ( 1.811 0.000 1.643) 2.446 23.093 ( -2.537 0.000 6.703) 7.168 23.132 ( 1.949 0.000 -6.502) 6.788 23.264 ( 4.072 0.000 6.419) 7.601 23.301 ( -22.175 0.000 7.284) 23.340 23.398 ( -1.383 0.000 -0.803) 1.599 23.893 ( -2.278 0.000 0.685) 2.378 24.017 ( 0.204 0.000 0.986) 1.007 24.048 ( 3.196 0.000 2.331) 3.956 24.085 ( 1.645 0.000 2.356) 2.874 24.149 ( 1.030 0.000 -3.699) 3.839 24.278 ( 0.818 0.000 -2.881) 2.995 24.371 ( -6.781 0.000 9.782) 11.903 24.514 ( -1.066 0.000 2.683) 2.886 24.592 ( -1.677 0.000 1.826) 2.479 24.640 ( -1.798 0.000 -1.246) 2.187 24.706 ( 2.445 0.000 -0.001) 2.445 24.853 ( -0.587 0.000 -3.294) 3.346 25.283 ( -1.549 0.000 -0.535) 1.639 25.485 ( -1.290 0.000 -2.933) 3.205 ======================= Grid point 51 (19/80) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -3.236 0.000 5.401) 6.296 1.231 ( 16.623 0.000 6.629) 17.896 1.352 ( 8.972 0.000 20.081) 21.994 1.584 ( -6.433 0.000 -6.688) 9.280 1.660 ( 1.325 0.000 -8.188) 8.295 1.793 ( -16.766 0.000 -5.357) 17.601 2.012 ( -6.164 0.000 8.015) 10.111 2.129 ( -0.414 0.000 -5.698) 5.713 2.318 ( -3.413 0.000 -3.754) 5.074 2.464 ( 6.596 0.000 -6.762) 9.446 2.478 ( -4.604 0.000 2.875) 5.428 2.550 ( 1.372 0.000 2.171) 2.569 2.693 ( 4.937 0.000 -1.458) 5.147 2.728 ( 4.052 0.000 1.564) 4.344 2.856 ( 11.701 0.000 22.299) 25.182 2.906 ( 5.905 0.000 4.414) 7.373 3.041 ( 3.095 0.000 -3.781) 4.886 3.075 ( 7.819 0.000 3.148) 8.429 3.100 ( 1.505 0.000 -5.045) 5.264 3.104 ( -1.194 0.000 2.196) 2.500 3.155 ( -5.365 0.000 -4.122) 6.765 3.238 ( -0.238 0.000 -2.786) 2.796 3.292 ( -0.350 0.000 -0.811) 0.883 3.370 ( 0.914 0.000 0.278) 0.956 3.380 ( 4.358 0.000 -3.050) 5.319 3.457 ( -0.023 0.000 2.380) 2.380 3.556 ( -5.274 0.000 -0.359) 5.286 3.616 ( -3.735 0.000 1.527) 4.035 3.630 ( -2.982 0.000 -3.699) 4.751 3.711 ( 2.390 0.000 0.812) 2.525 3.719 ( -2.012 0.000 -0.070) 2.013 3.771 ( 6.374 0.000 -1.625) 6.578 3.827 ( 1.766 0.000 1.693) 2.447 3.874 ( 0.893 0.000 -0.917) 1.280 3.900 ( 0.732 0.000 -1.858) 1.997 4.044 ( -0.828 0.000 0.728) 1.103 4.114 ( -5.601 0.000 -5.685) 7.981 4.174 ( -6.472 0.000 4.148) 7.687 4.198 ( 6.350 0.000 -0.284) 6.356 4.208 ( -1.824 0.000 4.054) 4.445 4.237 ( 3.920 0.000 0.975) 4.040 4.300 ( -0.462 0.000 9.215) 9.227 4.465 ( -1.783 0.000 -2.852) 3.364 4.521 ( 2.589 0.000 4.039) 4.797 4.586 ( -2.045 0.000 -4.964) 5.369 4.588 ( 16.353 0.000 -4.245) 16.895 4.782 ( -4.056 0.000 -8.206) 9.154 4.801 ( 3.617 0.000 1.146) 3.794 4.871 ( 3.473 0.000 -8.171) 8.878 4.910 ( 5.200 0.000 -1.474) 5.405 4.959 ( -3.154 0.000 -1.741) 3.602 5.000 ( -0.598 0.000 -7.320) 7.344 5.011 ( 0.672 0.000 3.209) 3.279 5.048 ( 4.802 0.000 1.113) 4.929 5.110 ( -2.712 0.000 0.357) 2.736 5.347 ( -6.988 0.000 5.012) 8.600 5.348 ( 6.615 0.000 -4.540) 8.023 5.578 ( -0.848 0.000 2.972) 3.091 5.689 ( 1.942 0.000 0.164) 1.949 5.716 ( -7.511 0.000 -5.158) 9.112 5.865 ( -0.037 0.000 -0.074) 0.082 5.955 ( -9.827 0.000 3.442) 10.412 6.119 ( -1.682 0.000 -0.508) 1.757 6.159 ( -1.848 0.000 1.532) 2.400 6.297 ( -5.595 0.000 4.644) 7.271 6.565 ( -3.025 0.000 -0.340) 3.044 6.604 ( 4.414 0.000 -1.478) 4.655 6.762 ( -1.051 0.000 1.352) 1.713 6.900 ( 0.737 0.000 3.322) 3.403 6.920 ( -0.198 0.000 -8.556) 8.559 6.933 ( 0.498 0.000 -0.730) 0.884 7.010 ( -8.410 0.000 -1.585) 8.558 7.244 ( -4.481 0.000 -0.483) 4.507 7.250 ( 5.291 0.000 -1.406) 5.474 7.414 ( -2.570 0.000 -2.251) 3.416 7.439 ( -6.697 0.000 2.389) 7.111 7.541 ( -4.370 0.000 9.219) 10.202 7.570 ( 3.278 0.000 -2.969) 4.423 7.600 ( 4.028 0.000 3.415) 5.281 7.673 ( -1.357 0.000 -2.297) 2.668 7.892 ( -5.144 0.000 6.140) 8.010 7.981 ( 10.320 0.000 0.563) 10.335 8.063 ( 4.373 0.000 2.154) 4.874 8.229 ( -2.632 0.000 -0.912) 2.786 8.281 ( -5.395 0.000 3.694) 6.538 8.389 ( 3.200 0.000 -2.317) 3.951 8.509 ( -0.454 0.000 -2.286) 2.331 8.587 ( 0.821 0.000 -3.909) 3.994 8.660 ( -1.370 0.000 -3.651) 3.900 8.751 ( 3.588 0.000 5.305) 6.405 8.897 ( -0.162 0.000 -0.316) 0.356 9.083 ( 3.741 0.000 -5.564) 6.705 9.146 ( -3.428 0.000 -0.087) 3.429 9.276 ( 3.023 0.000 1.094) 3.215 9.434 ( 2.514 0.000 -1.586) 2.973 9.443 ( 2.056 0.000 -1.649) 2.635 9.594 ( -6.515 0.000 6.469) 9.181 9.601 ( 2.597 0.000 -2.224) 3.419 9.780 ( -2.370 0.000 0.122) 2.373 9.836 ( 2.516 0.000 1.456) 2.907 10.032 ( 4.790 0.000 -1.200) 4.938 10.089 ( 7.323 0.000 -4.546) 8.620 10.161 ( -0.549 0.000 0.448) 0.709 10.311 ( 0.098 0.000 -2.640) 2.642 10.360 ( -4.389 0.000 0.468) 4.414 10.386 ( -3.434 0.000 0.696) 3.504 10.561 ( -2.804 0.000 -1.721) 3.290 10.600 ( -0.193 0.000 -0.989) 1.007 10.818 ( -1.106 0.000 1.744) 2.065 10.828 ( -0.008 0.000 -5.449) 5.449 10.946 ( -4.072 0.000 0.393) 4.091 10.985 ( -2.704 0.000 0.756) 2.808 11.363 ( -10.403 0.000 2.483) 10.695 11.511 ( 3.380 0.000 5.778) 6.694 11.565 ( 5.263 0.000 1.927) 5.605 11.774 ( -7.797 0.000 -4.579) 9.042 11.921 ( -9.314 0.000 1.516) 9.436 12.132 ( 2.617 0.000 -3.832) 4.641 12.276 ( 2.263 0.000 -0.961) 2.459 12.430 ( -3.217 0.000 5.925) 6.741 12.568 ( 5.473 0.000 -3.046) 6.264 12.646 ( 4.489 0.000 0.570) 4.525 12.700 ( 5.247 0.000 -1.967) 5.603 12.929 ( 3.392 0.000 -2.628) 4.291 12.966 ( -4.116 0.000 -1.990) 4.572 13.078 ( 8.299 0.000 -2.056) 8.549 13.218 ( -2.928 0.000 0.864) 3.052 13.411 ( 5.670 0.000 -3.640) 6.738 13.605 ( 1.617 0.000 0.209) 1.630 13.657 ( 1.162 0.000 3.959) 4.126 13.943 ( -1.589 0.000 -5.071) 5.314 13.953 ( 5.193 0.000 7.238) 8.908 14.357 ( -6.101 0.000 -1.763) 6.350 14.690 ( -3.763 0.000 -0.999) 3.893 14.732 ( 2.322 0.000 1.366) 2.694 15.103 ( 0.932 0.000 -2.681) 2.839 15.381 ( 3.601 0.000 -2.334) 4.291 15.443 ( 3.331 0.000 1.123) 3.516 15.553 ( -2.182 0.000 0.399) 2.218 15.819 ( -3.193 0.000 4.877) 5.829 15.885 ( 5.166 0.000 1.569) 5.399 16.056 ( 0.781 0.000 0.049) 0.782 16.066 ( -0.786 0.000 1.063) 1.322 16.497 ( 3.723 0.000 -2.960) 4.756 16.665 ( -1.933 0.000 2.625) 3.260 16.841 ( 0.058 0.000 -1.675) 1.676 17.629 ( -0.435 0.000 0.815) 0.924 17.702 ( 0.104 0.000 -0.745) 0.752 20.915 ( 0.735 0.000 0.880) 1.146 20.961 ( 1.106 0.000 -1.616) 1.958 21.147 ( -1.009 0.000 2.716) 2.897 21.717 ( 8.230 0.000 -8.548) 11.865 21.921 ( 0.272 0.000 0.284) 0.393 21.973 ( 3.997 0.000 -4.246) 5.832 21.995 ( -0.284 0.000 -1.089) 1.125 22.051 ( 4.189 0.000 -0.073) 4.190 22.155 ( -1.590 0.000 2.032) 2.580 22.321 ( -1.944 0.000 0.943) 2.161 22.633 ( 0.612 0.000 -1.748) 1.852 22.827 ( 2.489 0.000 -1.898) 3.130 22.969 ( -13.093 0.000 4.494) 13.843 22.993 ( 0.546 0.000 1.252) 1.366 23.066 ( 0.374 0.000 -8.388) 8.396 23.276 ( -0.555 0.000 12.646) 12.658 23.302 ( -0.278 0.000 -4.041) 4.051 23.445 ( 0.317 0.000 7.888) 7.895 23.858 ( -1.738 0.000 0.334) 1.770 24.024 ( -0.065 0.000 0.100) 0.119 24.104 ( 1.598 0.000 -0.854) 1.812 24.110 ( -0.542 0.000 -4.071) 4.106 24.117 ( 1.172 0.000 -1.167) 1.654 24.266 ( 1.019 0.000 -1.481) 1.798 24.383 ( -5.599 0.000 12.636) 13.821 24.511 ( -0.951 0.000 0.734) 1.201 24.593 ( -1.504 0.000 3.014) 3.368 24.613 ( -0.530 0.000 0.521) 0.743 24.742 ( 1.839 0.000 -0.754) 1.987 24.817 ( 0.356 0.000 -2.853) 2.875 25.241 ( -1.769 0.000 -1.439) 2.281 25.425 ( -1.227 0.000 -3.420) 3.634 ======================= Grid point 52 (20/80) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -5.083 0.000 9.978) 11.198 1.277 ( -17.213 0.000 -6.444) 18.379 1.341 ( -11.062 0.000 6.909) 13.042 1.501 ( 14.590 0.000 -7.729) 16.510 1.749 ( 8.566 0.000 4.277) 9.574 1.812 ( 11.936 0.000 14.453) 18.744 1.986 ( -9.432 0.000 11.007) 14.495 2.115 ( 4.081 0.000 -3.976) 5.698 2.256 ( 1.901 0.000 -3.083) 3.622 2.447 ( 0.181 0.000 -6.331) 6.334 2.489 ( 1.487 0.000 3.098) 3.436 2.582 ( 0.263 0.000 0.707) 0.754 2.687 ( -2.052 0.000 -4.926) 5.336 2.739 ( -1.819 0.000 -1.659) 2.462 2.854 ( -13.769 0.000 -1.143) 13.816 3.003 ( -5.688 0.000 -2.285) 6.130 3.044 ( 2.640 0.000 -2.304) 3.504 3.064 ( 3.683 0.000 -0.412) 3.706 3.087 ( -0.821 0.000 -3.041) 3.150 3.153 ( -3.338 0.000 -0.221) 3.345 3.228 ( 5.476 0.000 7.439) 9.237 3.333 ( 5.505 0.000 4.406) 7.051 3.363 ( -11.383 0.000 -4.918) 12.400 3.395 ( 3.280 0.000 -4.013) 5.183 3.433 ( -1.962 0.000 8.169) 8.401 3.441 ( 5.869 0.000 3.797) 6.990 3.487 ( -1.183 0.000 0.455) 1.267 3.508 ( 3.512 0.000 1.655) 3.883 3.613 ( -0.017 0.000 0.328) 0.328 3.678 ( -2.345 0.000 0.543) 2.407 3.730 ( 0.535 0.000 1.102) 1.225 3.820 ( -0.942 0.000 1.713) 1.955 3.892 ( 5.017 0.000 -1.745) 5.312 3.904 ( 0.774 0.000 -0.336) 0.844 3.930 ( 3.380 0.000 1.074) 3.546 4.003 ( 1.231 0.000 -6.206) 6.327 4.014 ( -3.548 0.000 1.204) 3.747 4.038 ( -1.815 0.000 1.105) 2.125 4.187 ( -4.691 0.000 -6.175) 7.755 4.217 ( -3.681 0.000 -0.818) 3.771 4.297 ( -4.132 0.000 4.390) 6.029 4.388 ( -0.199 0.000 5.776) 5.780 4.396 ( -6.677 0.000 -10.288) 12.265 4.462 ( 3.339 0.000 -0.365) 3.358 4.592 ( 0.589 0.000 -3.058) 3.114 4.666 ( -8.262 0.000 -7.445) 11.121 4.773 ( 12.808 0.000 2.623) 13.074 4.822 ( 2.188 0.000 -8.377) 8.658 4.827 ( 0.893 0.000 1.317) 1.591 4.888 ( 12.985 0.000 -6.010) 14.308 4.930 ( -1.235 0.000 -1.740) 2.134 5.024 ( -1.509 0.000 1.535) 2.152 5.101 ( 2.627 0.000 2.714) 3.777 5.148 ( 0.841 0.000 4.852) 4.924 5.186 ( 8.175 0.000 7.121) 10.841 5.288 ( -4.152 0.000 2.369) 4.780 5.469 ( 6.358 0.000 -3.570) 7.292 5.566 ( -0.319 0.000 1.402) 1.438 5.609 ( 1.084 0.000 1.003) 1.477 5.716 ( 0.145 0.000 0.506) 0.526 5.831 ( -1.325 0.000 -2.800) 3.098 5.849 ( -4.584 0.000 -0.002) 4.584 6.078 ( -2.391 0.000 1.044) 2.609 6.143 ( -1.559 0.000 0.587) 1.666 6.276 ( -3.585 0.000 3.743) 5.183 6.559 ( 1.873 0.000 1.453) 2.370 6.646 ( 2.815 0.000 -4.139) 5.005 6.710 ( -4.746 0.000 -0.787) 4.811 6.844 ( -4.901 0.000 -4.476) 6.637 6.844 ( 2.488 0.000 -11.207) 11.480 6.915 ( 0.576 0.000 -2.312) 2.383 6.935 ( 1.119 0.000 -0.776) 1.362 7.185 ( -4.437 0.000 3.915) 5.917 7.215 ( -2.581 0.000 -8.549) 8.930 7.381 ( 0.275 0.000 1.096) 1.130 7.394 ( -0.014 0.000 -0.231) 0.232 7.598 ( 5.452 0.000 -3.360) 6.404 7.626 ( -1.331 0.000 12.314) 12.385 7.641 ( -2.638 0.000 1.471) 3.020 7.700 ( 1.325 0.000 5.257) 5.421 7.862 ( -5.066 0.000 6.303) 8.087 8.069 ( -3.102 0.000 -2.144) 3.771 8.154 ( 3.539 0.000 -2.386) 4.269 8.155 ( 0.583 0.000 -2.129) 2.208 8.210 ( -7.399 0.000 8.929) 11.597 8.434 ( 4.093 0.000 -2.887) 5.008 8.458 ( 0.445 0.000 -6.078) 6.094 8.594 ( 1.677 0.000 -2.148) 2.725 8.631 ( 1.385 0.000 -3.444) 3.712 8.764 ( -5.103 0.000 0.412) 5.120 8.918 ( 2.776 0.000 1.841) 3.331 9.060 ( 2.070 0.000 -6.933) 7.236 9.152 ( 1.884 0.000 2.503) 3.132 9.306 ( 0.537 0.000 1.188) 1.304 9.452 ( -1.288 0.000 1.352) 1.867 9.480 ( 1.256 0.000 2.227) 2.557 9.531 ( -5.577 0.000 0.985) 5.664 9.643 ( 3.970 0.000 -0.082) 3.971 9.809 ( 1.942 0.000 4.986) 5.351 9.878 ( -1.067 0.000 3.854) 3.999 10.085 ( 2.378 0.000 -1.736) 2.945 10.161 ( 2.092 0.000 -0.917) 2.284 10.175 ( 5.009 0.000 -2.789) 5.733 10.232 ( -0.592 0.000 -5.325) 5.358 10.339 ( -3.054 0.000 2.118) 3.717 10.364 ( 1.284 0.000 -0.432) 1.354 10.523 ( 0.933 0.000 -2.563) 2.727 10.561 ( -2.111 0.000 -1.908) 2.846 10.787 ( -2.064 0.000 -1.681) 2.662 10.795 ( 3.003 0.000 -5.109) 5.926 10.904 ( -0.793 0.000 -0.223) 0.823 10.964 ( -0.213 0.000 0.001) 0.213 11.269 ( -2.086 0.000 1.631) 2.648 11.568 ( -5.279 0.000 4.149) 6.715 11.583 ( -5.553 0.000 -3.139) 6.379 11.724 ( 7.758 0.000 0.760) 7.795 11.833 ( 0.286 0.000 1.564) 1.590 12.138 ( 2.721 0.000 -3.643) 4.547 12.301 ( 0.631 0.000 0.403) 0.749 12.442 ( -3.045 0.000 7.166) 7.786 12.610 ( 1.442 0.000 0.199) 1.456 12.690 ( -0.428 0.000 0.726) 0.843 12.776 ( 6.983 0.000 -5.708) 9.019 12.864 ( -5.554 0.000 -0.199) 5.558 12.975 ( 3.983 0.000 -1.466) 4.244 13.173 ( 5.098 0.000 -2.064) 5.500 13.211 ( -0.490 0.000 3.813) 3.844 13.431 ( 1.540 0.000 -3.870) 4.165 13.579 ( -2.912 0.000 -3.398) 4.475 13.631 ( -4.933 0.000 -0.882) 5.011 13.970 ( 5.818 0.000 1.303) 5.962 14.003 ( -6.354 0.000 2.335) 6.769 14.328 ( 3.736 0.000 2.476) 4.482 14.717 ( 3.621 0.000 5.777) 6.818 14.721 ( -2.786 0.000 -2.698) 3.878 15.130 ( 3.542 0.000 0.995) 3.679 15.411 ( 1.735 0.000 -0.821) 1.919 15.458 ( -2.089 0.000 -1.363) 2.494 15.519 ( -0.588 0.000 -1.034) 1.189 15.747 ( -3.274 0.000 -6.125) 6.945 16.019 ( 0.997 0.000 11.824) 11.866 16.067 ( 0.136 0.000 0.500) 0.518 16.073 ( 0.529 0.000 1.120) 1.238 16.530 ( 2.673 0.000 -1.890) 3.274 16.656 ( -2.224 0.000 2.511) 3.354 16.830 ( 0.723 0.000 -1.800) 1.940 17.626 ( -0.635 0.000 0.522) 0.822 17.699 ( 0.471 0.000 -0.695) 0.840 20.923 ( -0.733 0.000 0.432) 0.850 20.969 ( 1.253 0.000 -1.010) 1.609 21.156 ( -1.547 0.000 3.180) 3.536 21.759 ( 5.831 0.000 -6.235) 8.537 21.913 ( -0.643 0.000 -0.865) 1.077 21.976 ( 1.757 0.000 -4.193) 4.547 22.007 ( 1.535 0.000 0.824) 1.743 22.120 ( 6.585 0.000 -6.452) 9.219 22.162 ( -0.827 0.000 3.088) 3.197 22.336 ( -1.514 0.000 8.749) 8.879 22.623 ( 0.896 0.000 -2.881) 3.017 22.818 ( -8.571 0.000 1.899) 8.779 22.861 ( 2.362 0.000 0.158) 2.368 22.988 ( -1.493 0.000 -0.592) 1.606 22.998 ( -0.163 0.000 -4.978) 4.980 23.231 ( -1.569 0.000 -6.808) 6.986 23.417 ( 0.895 0.000 13.799) 13.828 23.478 ( -3.537 0.000 4.807) 5.969 23.854 ( 0.106 0.000 1.000) 1.006 24.011 ( 0.503 0.000 -4.752) 4.779 24.051 ( -2.364 0.000 -0.296) 2.382 24.083 ( -0.827 0.000 -3.479) 3.576 24.122 ( 1.164 0.000 -1.597) 1.976 24.283 ( 1.173 0.000 0.080) 1.176 24.423 ( -5.671 0.000 13.205) 14.371 24.512 ( -0.003 0.000 1.158) 1.158 24.590 ( -1.834 0.000 2.198) 2.862 24.636 ( 0.536 0.000 3.402) 3.444 24.743 ( -0.135 0.000 -1.973) 1.977 24.816 ( 2.234 0.000 -1.867) 2.911 25.196 ( -0.314 0.000 -4.034) 4.047 25.395 ( 2.313 0.000 -3.742) 4.399 ======================= Grid point 53 (21/80) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -24.792 0.000 -3.681) 25.064 0.880 ( -23.559 0.000 -0.086) 23.559 1.628 ( -9.784 0.000 1.591) 9.913 1.683 ( 9.688 0.000 20.525) 22.697 1.762 ( -4.687 0.000 1.954) 5.078 1.990 ( 0.999 0.000 6.504) 6.580 2.095 ( 4.891 0.000 6.915) 8.470 2.198 ( 9.928 0.000 -0.591) 9.946 2.311 ( 1.988 0.000 -1.738) 2.641 2.388 ( 0.022 0.000 -4.564) 4.564 2.509 ( -3.187 0.000 -0.408) 3.213 2.539 ( -3.555 0.000 -1.211) 3.756 2.567 ( -9.071 0.000 6.068) 10.913 2.624 ( 1.410 0.000 -5.080) 5.272 2.778 ( 3.231 0.000 3.663) 4.884 2.819 ( -6.090 0.000 -5.416) 8.150 2.978 ( -4.880 0.000 -1.880) 5.230 3.006 ( -3.463 0.000 -6.148) 7.056 3.083 ( -3.940 0.000 -3.785) 5.463 3.118 ( 4.468 0.000 -4.889) 6.623 3.240 ( 1.462 0.000 3.868) 4.135 3.256 ( -1.815 0.000 -4.866) 5.193 3.379 ( -0.370 0.000 -2.276) 2.306 3.383 ( -0.286 0.000 0.568) 0.636 3.481 ( -2.107 0.000 1.138) 2.394 3.504 ( 6.383 0.000 0.376) 6.394 3.574 ( 2.188 0.000 -0.349) 2.215 3.612 ( -1.980 0.000 5.339) 5.694 3.651 ( 3.911 0.000 5.692) 6.906 3.721 ( 0.813 0.000 5.658) 5.716 3.777 ( 0.322 0.000 2.738) 2.757 3.810 ( -1.488 0.000 -2.368) 2.797 3.840 ( -7.581 0.000 0.903) 7.634 3.871 ( -4.454 0.000 -2.709) 5.213 3.885 ( -8.607 0.000 -1.960) 8.827 3.988 ( 1.716 0.000 0.454) 1.775 4.025 ( 4.780 0.000 -5.317) 7.150 4.044 ( -6.136 0.000 -1.251) 6.262 4.102 ( -0.807 0.000 1.611) 1.801 4.150 ( 4.518 0.000 -8.900) 9.981 4.182 ( 5.513 0.000 2.699) 6.138 4.326 ( -2.564 0.000 1.417) 2.929 4.389 ( -2.959 0.000 -1.347) 3.251 4.413 ( -3.922 0.000 -3.891) 5.525 4.524 ( -5.729 0.000 -4.223) 7.118 4.579 ( 0.007 0.000 0.434) 0.434 4.740 ( -4.139 0.000 -5.248) 6.683 4.806 ( 2.680 0.000 1.098) 2.897 4.886 ( -3.911 0.000 1.344) 4.135 4.934 ( -1.233 0.000 -0.109) 1.238 5.021 ( 8.391 0.000 -6.523) 10.628 5.109 ( -4.597 0.000 0.256) 4.604 5.168 ( 2.245 0.000 3.150) 3.868 5.239 ( 14.442 0.000 12.447) 19.065 5.290 ( 0.435 0.000 2.088) 2.133 5.374 ( 8.078 0.000 -2.850) 8.566 5.447 ( -2.442 0.000 7.625) 8.007 5.657 ( 4.544 0.000 -4.010) 6.061 5.677 ( 4.054 0.000 -2.869) 4.966 5.696 ( -1.932 0.000 -1.654) 2.544 5.772 ( -1.369 0.000 -4.003) 4.231 5.829 ( 3.039 0.000 2.487) 3.927 6.031 ( 0.753 0.000 -11.201) 11.226 6.140 ( 1.979 0.000 -0.341) 2.008 6.299 ( -0.350 0.000 12.072) 12.077 6.580 ( -3.645 0.000 -7.718) 8.535 6.630 ( 2.247 0.000 2.517) 3.374 6.632 ( -1.615 0.000 -2.624) 3.081 6.738 ( -0.261 0.000 -12.893) 12.896 6.761 ( 2.957 0.000 -3.598) 4.657 6.944 ( -1.159 0.000 0.431) 1.237 6.982 ( 7.909 0.000 -0.673) 7.938 7.081 ( -1.111 0.000 -8.254) 8.328 7.167 ( -1.822 0.000 2.578) 3.157 7.380 ( -1.416 0.000 -0.743) 1.599 7.410 ( 1.566 0.000 -0.860) 1.787 7.536 ( -9.579 0.000 2.312) 9.854 7.698 ( 0.335 0.000 5.090) 5.101 7.711 ( -2.118 0.000 7.808) 8.091 7.774 ( 4.406 0.000 3.400) 5.565 7.878 ( 0.509 0.000 6.605) 6.624 7.932 ( -8.507 0.000 -0.218) 8.510 8.121 ( -3.677 0.000 3.102) 4.811 8.135 ( -1.058 0.000 -4.482) 4.605 8.255 ( 1.443 0.000 3.878) 4.138 8.388 ( -1.776 0.000 -4.145) 4.509 8.438 ( -3.565 0.000 -0.038) 3.565 8.532 ( -4.077 0.000 -7.473) 8.513 8.572 ( 0.369 0.000 -4.467) 4.483 8.716 ( 0.111 0.000 -1.682) 1.686 9.015 ( 1.441 0.000 -4.255) 4.492 9.064 ( 7.985 0.000 2.893) 8.493 9.237 ( 4.591 0.000 1.622) 4.869 9.316 ( 1.076 0.000 -3.810) 3.959 9.405 ( -8.017 0.000 5.830) 9.913 9.478 ( -0.757 0.000 1.486) 1.667 9.505 ( -0.094 0.000 1.038) 1.042 9.721 ( 2.962 0.000 2.103) 3.633 9.880 ( -2.874 0.000 3.150) 4.264 9.902 ( 2.428 0.000 4.053) 4.725 10.051 ( -3.377 0.000 -3.507) 4.868 10.155 ( -0.080 0.000 -2.020) 2.021 10.192 ( -0.150 0.000 -1.654) 1.661 10.237 ( 1.908 0.000 1.615) 2.500 10.345 ( 2.298 0.000 0.113) 2.301 10.396 ( 4.125 0.000 -2.098) 4.628 10.512 ( -0.281 0.000 -2.396) 2.412 10.515 ( 1.904 0.000 -4.739) 5.107 10.741 ( 0.673 0.000 -3.337) 3.404 10.838 ( 5.590 0.000 -1.630) 5.823 10.917 ( 3.247 0.000 -1.123) 3.436 10.979 ( 2.584 0.000 -0.398) 2.614 11.276 ( -2.282 0.000 1.209) 2.583 11.470 ( -3.922 0.000 -2.287) 4.540 11.515 ( -0.774 0.000 4.083) 4.156 11.898 ( 9.905 0.000 2.195) 10.145 11.923 ( 5.806 0.000 1.597) 6.022 12.153 ( 3.876 0.000 -4.197) 5.713 12.288 ( -2.055 0.000 -1.131) 2.346 12.473 ( -3.325 0.000 8.849) 9.453 12.624 ( -1.357 0.000 1.790) 2.247 12.654 ( -4.331 0.000 0.929) 4.430 12.712 ( -4.476 0.000 -5.087) 6.776 12.883 ( 6.236 0.000 -1.945) 6.533 13.024 ( 2.619 0.000 -0.521) 2.670 13.194 ( 3.580 0.000 -9.137) 9.813 13.266 ( 0.905 0.000 4.859) 4.942 13.409 ( -2.099 0.000 0.573) 2.176 13.460 ( -5.312 0.000 -3.331) 6.270 13.523 ( -5.235 0.000 -1.119) 5.354 13.869 ( -8.921 0.000 0.027) 8.921 14.115 ( 7.253 0.000 3.779) 8.179 14.471 ( 6.994 0.000 4.739) 8.448 14.599 ( -5.413 0.000 -6.391) 8.376 14.869 ( 3.845 0.000 7.259) 8.215 15.222 ( 4.711 0.000 0.969) 4.809 15.391 ( -2.771 0.000 -0.761) 2.873 15.420 ( 0.229 0.000 -1.162) 1.184 15.486 ( -1.655 0.000 -2.626) 3.104 15.592 ( -4.279 0.000 -10.574) 11.407 16.070 ( -0.469 0.000 0.515) 0.697 16.078 ( -0.430 0.000 1.758) 1.810 16.197 ( 2.025 0.000 16.431) 16.556 16.541 ( 1.200 0.000 -2.592) 2.856 16.644 ( -2.080 0.000 2.599) 3.329 16.824 ( 0.877 0.000 -2.387) 2.544 17.620 ( -0.636 0.000 0.424) 0.764 17.703 ( 0.753 0.000 -0.602) 0.964 20.902 ( -1.800 0.000 0.135) 1.806 20.979 ( 0.948 0.000 -0.746) 1.207 21.157 ( -2.321 0.000 3.422) 4.135 21.785 ( 5.628 0.000 -9.093) 10.694 21.893 ( -0.628 0.000 -0.601) 0.869 21.952 ( 0.467 0.000 -4.270) 4.296 22.049 ( 1.839 0.000 0.978) 2.083 22.106 ( 3.028 0.000 -14.007) 14.331 22.185 ( -0.657 0.000 3.611) 3.671 22.463 ( 1.271 0.000 16.115) 16.165 22.600 ( 1.023 0.000 -5.143) 5.244 22.719 ( -6.090 0.000 5.147) 7.974 22.901 ( 1.234 0.000 1.151) 1.687 22.938 ( -2.133 0.000 -2.690) 3.433 22.963 ( 0.030 0.000 -1.357) 1.357 23.121 ( -1.874 0.000 -6.683) 6.940 23.464 ( -2.297 0.000 3.033) 3.805 23.598 ( 2.854 0.000 16.823) 17.063 23.861 ( 0.210 0.000 -0.456) 0.502 23.952 ( 0.156 0.000 -5.491) 5.493 24.028 ( -1.747 0.000 -1.849) 2.544 24.031 ( -1.876 0.000 2.365) 3.019 24.134 ( 1.575 0.000 -0.295) 1.603 24.292 ( 0.630 0.000 -1.245) 1.395 24.455 ( -6.938 0.000 14.290) 15.885 24.522 ( -1.513 0.000 2.296) 2.750 24.585 ( -0.765 0.000 1.958) 2.102 24.687 ( 0.280 0.000 4.049) 4.058 24.707 ( -1.118 0.000 -2.224) 2.490 24.838 ( 2.608 0.000 -3.004) 3.978 25.138 ( 0.658 0.000 -8.810) 8.834 25.426 ( 5.392 0.000 -3.598) 6.482 ======================= Grid point 54 (22/80) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -21.830 0.000 7.447) 23.065 0.558 ( -22.489 0.000 19.588) 29.823 1.103 ( -47.523 0.000 24.977) 53.687 1.901 ( 7.238 0.000 1.060) 7.315 1.924 ( -0.412 0.000 6.491) 6.504 2.000 ( -2.720 0.000 0.569) 2.779 2.165 ( 0.216 0.000 0.348) 0.409 2.273 ( -1.289 0.000 -2.585) 2.889 2.327 ( -0.853 0.000 -3.876) 3.969 2.347 ( 8.976 0.000 -13.069) 15.854 2.454 ( -1.440 0.000 2.274) 2.692 2.497 ( 5.485 0.000 -4.475) 7.079 2.584 ( -3.921 0.000 4.813) 6.208 2.632 ( 1.103 0.000 4.762) 4.888 2.787 ( 1.144 0.000 4.684) 4.821 2.836 ( -6.897 0.000 -1.181) 6.998 2.935 ( 10.440 0.000 1.475) 10.544 3.008 ( 9.280 0.000 -1.883) 9.469 3.052 ( 4.297 0.000 -5.203) 6.748 3.105 ( -3.340 0.000 -12.717) 13.149 3.217 ( 6.477 0.000 -1.344) 6.615 3.257 ( -6.498 0.000 5.487) 8.505 3.307 ( -1.409 0.000 -5.234) 5.421 3.327 ( -4.095 0.000 -4.261) 5.910 3.453 ( -1.250 0.000 -2.215) 2.543 3.462 ( -14.101 0.000 -12.671) 18.958 3.502 ( -3.451 0.000 -0.431) 3.478 3.586 ( -4.872 0.000 -1.433) 5.078 3.664 ( -3.959 0.000 1.654) 4.291 3.695 ( 0.118 0.000 5.105) 5.106 3.705 ( 0.676 0.000 -3.492) 3.557 3.744 ( -7.142 0.000 -0.743) 7.181 3.801 ( 1.543 0.000 -2.490) 2.929 3.873 ( -3.587 0.000 -2.292) 4.257 3.894 ( -4.863 0.000 11.131) 12.147 3.905 ( 0.807 0.000 8.502) 8.541 4.006 ( 2.087 0.000 -2.594) 3.330 4.081 ( 5.817 0.000 -1.250) 5.949 4.125 ( 5.668 0.000 -1.472) 5.856 4.257 ( -6.719 0.000 -2.976) 7.349 4.279 ( -2.156 0.000 -6.306) 6.665 4.290 ( -3.588 0.000 4.277) 5.582 4.336 ( 1.181 0.000 0.643) 1.345 4.351 ( 3.368 0.000 6.332) 7.173 4.359 ( 0.786 0.000 4.748) 4.813 4.570 ( 0.067 0.000 -1.063) 1.065 4.604 ( -7.776 0.000 0.051) 7.776 4.817 ( -2.789 0.000 0.336) 2.809 4.872 ( 1.176 0.000 -0.552) 1.299 4.941 ( 0.573 0.000 1.261) 1.385 5.044 ( -2.271 0.000 0.097) 2.273 5.048 ( 2.675 0.000 -4.249) 5.021 5.225 ( 0.911 0.000 2.156) 2.340 5.302 ( -0.202 0.000 0.206) 0.289 5.430 ( 3.807 0.000 -4.683) 6.035 5.468 ( -5.956 0.000 -10.748) 12.288 5.509 ( 0.199 0.000 -0.318) 0.375 5.576 ( -0.305 0.000 2.833) 2.849 5.585 ( -5.289 0.000 -8.191) 9.750 5.730 ( 10.315 0.000 -5.424) 11.654 5.742 ( -0.242 0.000 0.018) 0.243 5.910 ( 5.095 0.000 -3.745) 6.323 6.026 ( 8.022 0.000 4.691) 9.293 6.253 ( 10.866 0.000 10.072) 14.816 6.422 ( -1.481 0.000 7.810) 7.949 6.447 ( -1.263 0.000 1.112) 1.683 6.577 ( -4.384 0.000 -4.227) 6.089 6.633 ( 1.278 0.000 1.985) 2.361 6.698 ( 3.103 0.000 2.228) 3.820 6.750 ( -7.247 0.000 0.351) 7.256 6.912 ( 0.604 0.000 -1.173) 1.319 7.102 ( 11.221 0.000 -3.715) 11.820 7.124 ( 5.139 0.000 2.064) 5.538 7.179 ( 3.370 0.000 0.227) 3.377 7.288 ( -6.085 0.000 -2.270) 6.494 7.413 ( -0.056 0.000 -0.833) 0.835 7.458 ( -1.473 0.000 1.549) 2.137 7.647 ( -6.616 0.000 3.521) 7.494 7.698 ( -5.692 0.000 2.537) 6.232 7.792 ( -10.767 0.000 5.082) 11.906 7.921 ( 3.037 0.000 0.971) 3.188 8.010 ( 4.859 0.000 6.429) 8.059 8.065 ( -0.076 0.000 -3.344) 3.345 8.108 ( -3.928 0.000 6.688) 7.756 8.316 ( -1.637 0.000 4.404) 4.698 8.323 ( 2.279 0.000 -5.452) 5.909 8.344 ( -1.070 0.000 0.999) 1.464 8.474 ( 1.026 0.000 -2.945) 3.119 8.550 ( 2.095 0.000 -3.118) 3.756 8.631 ( -7.411 0.000 -3.482) 8.189 8.997 ( 2.341 0.000 -4.601) 5.162 9.199 ( 3.834 0.000 0.305) 3.846 9.272 ( -0.763 0.000 -2.143) 2.274 9.316 ( 3.523 0.000 -0.860) 3.627 9.332 ( -4.846 0.000 -0.290) 4.855 9.513 ( -0.150 0.000 1.797) 1.804 9.542 ( 2.948 0.000 9.520) 9.966 9.751 ( -0.769 0.000 -2.103) 2.240 9.830 ( -4.107 0.000 -2.770) 4.954 9.941 ( -3.114 0.000 -2.087) 3.749 9.952 ( 0.310 0.000 0.460) 0.555 10.116 ( 0.288 0.000 -6.990) 6.996 10.194 ( -0.700 0.000 3.310) 3.383 10.309 ( 1.945 0.000 7.906) 8.141 10.378 ( 2.225 0.000 -2.179) 3.114 10.444 ( 3.425 0.000 -0.976) 3.561 10.502 ( 2.386 0.000 -3.249) 4.031 10.520 ( 4.207 0.000 -3.219) 5.297 10.753 ( 1.023 0.000 1.179) 1.561 10.909 ( 3.199 0.000 -0.726) 3.280 10.998 ( 8.649 0.000 -3.599) 9.368 11.055 ( 5.072 0.000 0.666) 5.116 11.215 ( -5.220 0.000 4.015) 6.585 11.413 ( -1.288 0.000 2.654) 2.950 11.623 ( 4.764 0.000 4.609) 6.628 12.015 ( 2.570 0.000 0.047) 2.570 12.070 ( 7.037 0.000 -0.551) 7.059 12.195 ( 5.668 0.000 -3.351) 6.584 12.228 ( -1.043 0.000 -2.193) 2.429 12.489 ( -5.975 0.000 8.466) 10.362 12.532 ( -7.272 0.000 -4.375) 8.486 12.580 ( -4.900 0.000 1.255) 5.058 12.644 ( -0.356 0.000 -1.493) 1.534 12.966 ( 4.922 0.000 -7.606) 9.060 13.029 ( 0.165 0.000 -4.026) 4.030 13.086 ( -1.918 0.000 -17.591) 17.695 13.318 ( -6.979 0.000 -1.902) 7.234 13.328 ( -0.606 0.000 7.877) 7.900 13.386 ( -0.882 0.000 -0.834) 1.214 13.471 ( -3.241 0.000 1.358) 3.514 13.729 ( -6.462 0.000 -0.411) 6.475 14.278 ( 6.583 0.000 3.772) 7.587 14.433 ( -4.588 0.000 -5.532) 7.187 14.626 ( 4.589 0.000 3.829) 5.976 14.931 ( -2.119 0.000 2.020) 2.927 15.139 ( -9.864 0.000 -21.992) 24.103 15.391 ( -0.269 0.000 1.658) 1.679 15.416 ( -1.345 0.000 -0.780) 1.555 15.422 ( 2.441 0.000 3.568) 4.323 15.459 ( -2.172 0.000 -2.512) 3.321 16.062 ( -0.654 0.000 0.011) 0.654 16.080 ( -0.469 0.000 0.031) 0.470 16.374 ( -0.563 0.000 -0.231) 0.608 16.520 ( 0.820 0.000 -4.472) 4.547 16.643 ( -1.509 0.000 3.160) 3.502 16.820 ( 1.668 0.000 1.143) 2.021 17.616 ( -0.433 0.000 0.626) 0.761 17.710 ( 0.667 0.000 -0.562) 0.872 20.874 ( -1.417 0.000 0.096) 1.420 20.983 ( 0.501 0.000 -1.093) 1.203 21.149 ( -2.512 0.000 3.256) 4.113 21.612 ( -9.589 0.000 -29.962) 31.459 21.882 ( -0.233 0.000 0.057) 0.240 21.895 ( -1.570 0.000 -1.106) 1.920 21.995 ( -1.308 0.000 -2.446) 2.773 22.077 ( 0.782 0.000 -0.265) 0.825 22.205 ( -1.346 0.000 3.167) 3.441 22.535 ( -0.732 0.000 -7.045) 7.082 22.596 ( -0.921 0.000 5.080) 5.163 22.870 ( -0.818 0.000 -4.630) 4.702 22.877 ( 9.445 0.000 19.301) 21.488 22.917 ( -0.046 0.000 -0.068) 0.082 22.972 ( 0.494 0.000 2.462) 2.511 23.072 ( 1.200 0.000 -1.128) 1.647 23.459 ( -1.494 0.000 1.718) 2.277 23.866 ( 1.022 0.000 0.281) 1.060 23.911 ( 8.757 0.000 6.011) 10.622 23.936 ( 5.363 0.000 2.214) 5.802 23.993 ( -1.542 0.000 0.359) 1.583 24.063 ( 5.564 0.000 5.590) 7.887 24.175 ( 0.982 0.000 5.905) 5.986 24.288 ( 1.226 0.000 -2.313) 2.618 24.508 ( -2.656 0.000 2.804) 3.862 24.530 ( -1.920 0.000 24.339) 24.414 24.600 ( -0.194 0.000 1.706) 1.717 24.671 ( -0.428 0.000 -1.833) 1.882 24.711 ( -1.349 0.000 2.079) 2.478 24.796 ( -2.578 0.000 -8.915) 9.280 25.015 ( -2.309 0.000 -9.845) 10.112 25.485 ( 4.882 0.000 -3.109) 5.788 ======================= Grid point 55 (23/80) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -14.313 22.362 8.142) 27.770 0.775 ( -8.542 16.106 22.259) 28.772 1.362 ( 5.291 24.879 30.931) 40.046 1.793 ( -9.953 -0.119 -11.484) 15.197 1.958 ( -3.677 4.441 -3.433) 6.710 2.026 ( 1.227 2.698 1.168) 3.185 2.212 ( 0.589 -0.933 -3.724) 3.884 2.223 ( -0.401 6.919 -2.633) 7.414 2.291 ( 1.799 -0.896 -3.462) 4.003 2.398 ( 4.027 -0.437 -4.681) 6.190 2.425 ( -1.740 0.302 -0.359) 1.802 2.526 ( -0.178 -0.570 -1.043) 1.202 2.630 ( 4.621 2.216 -0.752) 5.180 2.676 ( -2.561 1.860 -0.092) 3.166 2.720 ( -2.317 -3.083 -0.185) 3.861 2.809 ( -1.145 -5.913 2.245) 6.428 2.916 ( 1.731 -0.837 -6.043) 6.342 2.996 ( 3.969 -6.069 -5.453) 9.073 3.092 ( -1.979 1.525 1.215) 2.778 3.131 ( 2.165 -4.201 2.285) 5.249 3.165 ( 4.244 -3.564 0.714) 5.587 3.196 ( -0.832 -0.801 0.900) 1.464 3.228 ( -0.085 -0.003 -1.270) 1.273 3.338 ( -0.423 2.312 -0.280) 2.367 3.375 ( 6.254 -4.261 0.557) 7.588 3.389 ( 0.584 -0.498 0.418) 0.874 3.466 ( -2.489 -1.187 0.660) 2.835 3.563 ( 0.052 2.586 3.726) 4.536 3.597 ( 1.892 0.026 3.898) 4.333 3.652 ( 1.008 1.335 -2.784) 3.248 3.716 ( -1.293 1.523 -2.170) 2.949 3.751 ( -2.317 2.900 0.806) 3.798 3.808 ( 1.986 -1.009 0.986) 2.437 3.910 ( -2.274 4.826 7.438) 9.153 3.983 ( -3.234 -0.337 -0.955) 3.389 4.045 ( 2.199 4.203 -2.423) 5.326 4.071 ( -1.764 8.917 -1.441) 9.203 4.096 ( -0.441 -0.099 7.269) 7.283 4.186 ( 3.108 2.349 0.696) 3.957 4.223 ( -0.349 4.898 -2.461) 5.493 4.277 ( -0.154 1.473 -3.382) 3.692 4.342 ( -0.457 1.622 4.072) 4.407 4.410 ( 1.994 5.320 -0.861) 5.746 4.453 ( -1.907 0.794 2.018) 2.888 4.562 ( -2.923 2.843 -0.278) 4.087 4.577 ( 4.874 1.346 4.998) 7.110 4.634 ( 3.936 2.752 1.386) 4.999 4.772 ( 0.624 -0.081 -3.656) 3.710 4.825 ( -2.623 0.500 -2.932) 3.965 4.937 ( -1.144 1.934 -2.990) 3.740 4.975 ( -1.477 3.774 -0.357) 4.068 5.091 ( -2.034 2.438 -9.976) 10.469 5.144 ( -5.343 -6.069 -1.675) 8.257 5.262 ( -0.923 -3.399 -1.827) 3.967 5.300 ( 1.305 -4.499 0.165) 4.688 5.341 ( 3.585 -5.007 -2.295) 6.572 5.466 ( 0.538 1.439 -5.201) 5.423 5.498 ( -1.538 -5.207 2.667) 6.049 5.593 ( -0.074 -0.740 -2.441) 2.552 5.797 ( 1.667 4.115 1.730) 4.766 5.863 ( 3.086 6.428 -2.209) 7.465 6.043 ( -0.469 2.175 9.627) 9.881 6.272 ( 12.334 -5.374 9.506) 16.473 6.355 ( -0.138 -1.576 -5.104) 5.343 6.384 ( -8.356 -0.471 -3.234) 8.972 6.410 ( 4.021 -10.412 0.639) 11.180 6.550 ( 4.016 -1.598 4.352) 6.134 6.567 ( -7.280 0.041 0.222) 7.283 6.720 ( -0.947 -4.092 -2.499) 4.888 6.798 ( 10.766 -8.305 7.769) 15.660 6.961 ( 7.637 -10.224 12.909) 18.152 7.156 ( -0.506 -0.215 -0.078) 0.555 7.202 ( -0.273 2.482 -1.793) 3.074 7.298 ( 1.226 2.185 -3.272) 4.121 7.334 ( 6.908 -2.774 -1.323) 7.561 7.390 ( 8.237 -3.802 -1.655) 9.222 7.477 ( -3.682 0.115 2.198) 4.289 7.549 ( -6.763 -6.159 -0.048) 9.147 7.630 ( -5.391 -0.493 1.231) 5.552 7.723 ( 0.635 3.901 3.241) 5.111 7.859 ( -9.850 -1.909 4.007) 10.803 7.965 ( -4.285 2.812 -4.262) 6.666 8.077 ( 1.132 0.234 1.857) 2.187 8.146 ( 3.397 3.575 4.525) 6.693 8.218 ( -0.395 4.324 5.486) 6.997 8.326 ( 2.419 -3.279 2.436) 4.748 8.397 ( 4.915 -2.602 4.207) 6.973 8.497 ( 1.963 0.474 1.407) 2.461 8.544 ( -5.413 3.473 2.509) 6.903 8.588 ( 2.505 0.507 0.748) 2.663 9.009 ( 4.385 -3.262 -3.728) 6.616 9.123 ( -1.995 -7.694 -4.884) 9.329 9.172 ( -2.340 -1.597 -3.587) 4.571 9.285 ( 2.688 -0.761 -0.206) 2.801 9.386 ( -2.709 1.878 -1.220) 3.515 9.518 ( -3.554 -3.863 -4.642) 7.007 9.560 ( -1.074 1.635 1.071) 2.230 9.670 ( 1.365 -0.747 -1.695) 2.301 9.783 ( -0.080 0.862 -1.627) 1.843 9.885 ( 0.421 -2.523 -4.709) 5.358 9.947 ( 0.668 1.104 -0.200) 1.305 10.009 ( -1.424 0.011 -4.890) 5.093 10.174 ( -0.749 2.252 3.586) 4.300 10.258 ( -0.394 -3.007 6.200) 6.902 10.402 ( 0.215 -2.731 0.890) 2.881 10.535 ( 2.761 -0.380 -1.619) 3.223 10.577 ( 4.077 0.216 -0.799) 4.160 10.667 ( -1.721 -2.650 -4.083) 5.163 10.858 ( -1.373 4.289 3.418) 5.653 10.928 ( 2.476 3.268 -0.678) 4.156 11.090 ( 1.232 4.281 -3.452) 5.636 11.233 ( -2.963 6.688 0.534) 7.334 11.310 ( 7.729 6.372 1.096) 10.077 11.442 ( 0.536 -4.647 6.665) 8.143 11.627 ( -7.622 -3.638 5.139) 9.886 11.827 ( 0.963 -9.177 -2.846) 9.657 12.036 ( -3.144 4.451 0.053) 5.450 12.162 ( 1.503 -2.290 -0.811) 2.857 12.249 ( 0.686 2.458 -3.069) 3.991 12.358 ( -1.408 -6.495 1.181) 6.750 12.474 ( -1.406 0.122 3.104) 3.410 12.555 ( -1.591 -2.025 -3.699) 4.507 12.633 ( 2.316 -0.236 -4.195) 4.798 12.740 ( -0.174 2.074 -0.740) 2.209 13.099 ( 3.222 4.755 -3.372) 6.661 13.201 ( 1.220 4.661 -7.518) 8.929 13.260 ( 0.605 1.463 0.010) 1.583 13.397 ( -0.324 1.497 -0.740) 1.701 13.477 ( 3.033 3.756 6.864) 8.392 13.536 ( 0.689 5.116 6.004) 7.918 13.939 ( -2.549 20.814 -17.879) 27.557 14.298 ( -5.220 -0.171 -6.450) 8.299 14.466 ( 6.792 -0.444 3.039) 7.455 14.651 ( -4.561 0.312 -3.182) 5.570 14.842 ( 5.866 -2.573 1.005) 6.483 14.921 ( 1.894 -0.235 -0.362) 1.943 15.328 ( -0.151 0.457 -1.769) 1.833 15.383 ( -3.470 -1.415 -1.102) 3.906 15.503 ( 2.167 1.095 5.682) 6.179 15.564 ( 3.375 1.306 5.828) 6.860 15.737 ( -7.691 -10.197 11.105) 16.925 15.963 ( -0.955 -9.003 0.876) 9.096 16.201 ( -3.042 3.923 -1.801) 5.281 16.494 ( 1.967 -2.160 -4.952) 5.749 16.754 ( -2.258 6.768 0.126) 7.136 16.877 ( 1.237 1.167 -0.091) 1.703 17.618 ( -0.192 0.142 0.716) 0.755 17.704 ( 0.294 -0.856 -0.570) 1.069 20.876 ( 0.235 0.973 0.760) 1.257 20.994 ( 0.768 1.242 -2.032) 2.502 21.113 ( -1.959 -2.338 2.881) 4.196 21.339 ( 4.277 -4.502 -1.153) 6.315 21.927 ( 0.060 3.636 0.641) 3.693 21.965 ( 0.013 -0.328 -0.281) 0.432 22.062 ( 2.437 7.821 -7.820) 11.325 22.122 ( 0.165 3.537 -2.690) 4.447 22.217 ( -2.070 1.463 1.895) 3.165 22.411 ( -1.244 -3.267 -4.232) 5.489 22.637 ( 0.318 0.231 2.613) 2.642 22.771 ( 0.801 -5.286 1.824) 5.649 22.907 ( 0.490 1.016 -2.916) 3.127 23.020 ( 0.814 -0.077 4.757) 4.827 23.106 ( 3.063 -1.296 2.091) 3.929 23.151 ( 5.358 1.136 -4.498) 7.087 23.419 ( -2.319 -1.558 0.081) 2.795 23.560 ( -13.256 -11.050 -1.098) 17.292 23.916 ( -1.887 -3.758 1.640) 4.514 23.956 ( -2.963 -2.182 1.047) 3.826 24.079 ( 1.276 5.138 2.576) 5.888 24.130 ( 0.148 -0.460 -1.952) 2.011 24.189 ( 0.173 6.548 -4.887) 8.173 24.264 ( 1.050 -1.404 -1.774) 2.494 24.423 ( -8.132 2.637 3.210) 9.132 24.582 ( -1.160 3.559 1.031) 3.882 24.607 ( 2.238 1.743 1.805) 3.363 24.678 ( 0.405 0.599 -0.382) 0.818 24.703 ( -1.536 2.237 0.625) 2.785 24.883 ( -0.536 -0.266 0.501) 0.780 25.091 ( 7.917 -5.939 9.554) 13.756 25.463 ( 1.421 -4.762 -2.485) 5.556 ======================= Grid point 56 (24/80) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 14.481 3.963 16.748) 22.493 0.983 ( 5.166 9.429 18.983) 21.816 1.457 ( -10.094 5.353 -8.890) 14.477 1.733 ( 1.659 9.598 7.136) 12.075 1.833 ( -1.917 7.838 -5.164) 9.580 2.043 ( -5.079 0.329 1.143) 5.216 2.141 ( -4.236 7.388 -4.974) 9.863 2.247 ( -0.743 3.512 -0.338) 3.606 2.297 ( 5.253 -5.048 3.894) 8.261 2.421 ( 4.650 0.990 -4.888) 6.819 2.452 ( 0.338 0.731 3.195) 3.295 2.490 ( 4.020 0.253 -0.118) 4.029 2.589 ( -6.837 1.391 -1.561) 7.150 2.664 ( 1.954 2.586 1.713) 3.666 2.742 ( 5.049 -1.147 -1.491) 5.388 2.764 ( 0.386 -0.414 -0.498) 0.754 2.878 ( 1.221 -3.109 -1.003) 3.487 3.039 ( 3.625 0.022 0.817) 3.716 3.057 ( -4.288 -4.172 1.784) 6.244 3.158 ( 1.867 0.006 -6.013) 6.296 3.197 ( 1.284 -5.958 -0.577) 6.122 3.229 ( 4.936 -4.872 -6.005) 9.174 3.236 ( -2.180 -4.772 -1.148) 5.370 3.321 ( -0.630 -0.506 1.458) 1.667 3.396 ( -0.657 -0.383 0.145) 0.774 3.476 ( 1.758 3.950 2.102) 4.807 3.509 ( 4.841 -2.803 -0.453) 5.613 3.567 ( 2.817 -4.514 2.587) 5.916 3.644 ( 1.111 0.193 2.877) 3.090 3.695 ( 0.183 2.055 -1.761) 2.713 3.747 ( 3.007 3.971 2.555) 5.598 3.822 ( 5.216 3.726 1.614) 6.610 3.863 ( -3.408 7.579 -0.365) 8.318 3.939 ( -3.424 4.121 4.096) 6.744 3.959 ( 6.810 -0.999 1.812) 7.117 3.999 ( 0.831 5.049 -0.476) 5.139 4.063 ( -3.254 -0.149 0.003) 3.257 4.068 ( 0.863 0.427 5.989) 6.066 4.175 ( -1.936 2.183 -5.217) 5.977 4.241 ( 0.132 2.021 -0.807) 2.180 4.308 ( 0.214 -1.047 2.456) 2.678 4.373 ( 0.659 1.131 1.373) 1.896 4.406 ( 0.109 4.194 0.502) 4.225 4.481 ( -1.434 1.106 2.122) 2.789 4.537 ( 3.922 -0.161 -4.388) 5.888 4.647 ( 1.489 3.744 2.755) 4.881 4.729 ( -0.372 2.460 -0.846) 2.628 4.784 ( 7.054 1.695 0.942) 7.316 4.814 ( 2.800 1.887 0.029) 3.377 4.917 ( 0.778 -1.378 -1.391) 2.107 4.942 ( 1.275 -0.261 -5.841) 5.984 4.984 ( 1.158 2.518 -0.792) 2.883 5.033 ( 0.208 -2.822 -10.008) 10.401 5.162 ( -6.124 -2.320 -3.166) 7.274 5.257 ( -2.857 2.377 -0.846) 3.811 5.379 ( 0.196 -1.473 -5.805) 5.992 5.431 ( -3.470 -0.180 1.748) 3.890 5.535 ( 1.205 -5.751 3.154) 6.669 5.574 ( 1.750 -1.638 -0.986) 2.592 5.824 ( -0.734 2.926 -0.375) 3.039 5.913 ( 3.205 6.529 0.391) 7.284 6.077 ( -6.736 2.358 8.085) 10.784 6.188 ( -6.646 -1.334 -6.054) 9.088 6.224 ( -8.838 0.020 0.580) 8.857 6.408 ( -5.093 -3.732 0.400) 6.327 6.427 ( -2.099 -5.404 2.862) 6.465 6.577 ( 6.483 -7.456 1.951) 10.071 6.659 ( -2.800 -2.243 -2.571) 4.414 6.715 ( 7.328 -2.277 6.275) 9.913 6.959 ( 3.930 -0.159 4.015) 5.620 7.027 ( -3.605 -0.905 -7.632) 8.489 7.152 ( -1.797 -4.378 -1.154) 4.871 7.169 ( -2.602 -8.340 0.890) 8.781 7.239 ( -2.123 3.894 2.144) 4.926 7.384 ( -8.122 -9.220 7.529) 14.411 7.452 ( 4.353 -1.224 -3.282) 5.588 7.467 ( -0.856 -3.932 0.790) 4.101 7.520 ( 3.607 0.235 0.265) 3.625 7.665 ( 5.556 -2.616 -1.251) 6.267 7.735 ( -5.833 5.655 1.327) 8.232 7.813 ( 1.847 -1.674 1.116) 2.731 7.852 ( 2.304 3.640 -2.463) 4.962 8.110 ( -0.211 3.368 1.769) 3.810 8.232 ( 1.240 3.616 4.506) 5.909 8.292 ( 3.024 1.866 -0.223) 3.560 8.412 ( 2.000 -4.525 4.144) 6.454 8.467 ( -5.159 2.756 2.246) 6.266 8.529 ( 1.829 -4.876 4.459) 6.856 8.597 ( 6.525 0.348 4.391) 7.873 8.652 ( 2.769 -0.280 0.180) 2.789 8.981 ( -3.758 -2.049 -4.978) 6.565 9.071 ( 3.455 -0.689 -4.979) 6.100 9.136 ( 2.061 -3.071 -0.325) 3.712 9.268 ( -2.456 1.281 -4.310) 5.123 9.355 ( 1.169 -5.066 -0.069) 5.200 9.416 ( 0.666 -3.108 -6.097) 6.876 9.545 ( -2.748 0.257 1.957) 3.383 9.663 ( -0.332 0.284 -1.126) 1.208 9.776 ( -0.476 -1.346 0.033) 1.428 9.859 ( 2.051 0.320 -4.135) 4.626 9.972 ( 2.468 0.506 0.032) 2.519 9.990 ( 3.809 -1.515 -3.636) 5.479 10.203 ( 0.130 3.674 2.846) 4.650 10.308 ( 0.203 0.115 3.254) 3.263 10.392 ( -1.286 -2.903 0.021) 3.175 10.506 ( -4.186 -1.648 -2.321) 5.062 10.543 ( -5.679 -1.753 -2.662) 6.512 10.648 ( 2.871 1.283 1.278) 3.394 10.864 ( -0.922 4.010 1.155) 4.273 10.910 ( -2.351 2.975 -0.342) 3.807 11.041 ( -3.573 2.908 -1.302) 4.788 11.149 ( -8.555 6.862 1.291) 11.042 11.403 ( 0.215 2.879 3.400) 4.460 11.485 ( 1.217 0.570 4.451) 4.649 11.521 ( -6.560 -1.800 1.699) 7.011 11.857 ( 2.176 -10.738 -1.886) 11.117 11.966 ( -5.597 0.606 -1.960) 5.961 12.109 ( -6.129 1.056 0.679) 6.256 12.316 ( 7.598 -2.899 -1.545) 8.278 12.390 ( 3.183 -2.823 0.536) 4.288 12.467 ( -1.835 -1.529 -1.815) 3.000 12.517 ( 2.314 -0.214 -0.567) 2.392 12.622 ( 3.004 -1.018 -0.739) 3.256 12.826 ( 6.194 0.486 -2.006) 6.529 13.053 ( -3.123 0.998 -1.546) 3.625 13.177 ( 2.872 4.199 -5.650) 7.603 13.330 ( 6.203 2.437 0.513) 6.684 13.363 ( -1.978 6.327 -2.527) 7.095 13.573 ( 2.503 4.561 3.820) 6.454 13.663 ( 3.496 8.300 7.388) 11.649 13.853 ( 5.787 8.523 -2.501) 10.602 14.105 ( -6.699 1.226 -6.989) 9.758 14.508 ( -6.968 0.489 -3.084) 7.636 14.604 ( 5.153 -2.235 2.409) 6.111 14.820 ( -5.396 -0.013 -2.902) 6.127 15.046 ( 7.488 -4.520 -4.121) 9.669 15.350 ( 2.277 0.411 -1.337) 2.672 15.364 ( 4.080 0.483 0.305) 4.120 15.570 ( -0.639 0.950 3.925) 4.089 15.685 ( 0.908 -2.126 8.294) 8.611 15.764 ( 1.711 -5.763 4.307) 7.395 15.954 ( -1.127 -9.183 0.833) 9.289 16.142 ( -1.315 5.234 -2.059) 5.776 16.489 ( 3.095 -1.696 -4.423) 5.659 16.724 ( -2.356 6.037 1.704) 6.700 16.883 ( 0.481 1.868 -1.017) 2.180 17.623 ( -0.234 -0.059 0.860) 0.893 17.700 ( 0.025 -0.847 -0.660) 1.074 20.901 ( 1.220 1.268 1.140) 2.096 20.985 ( 0.849 1.751 -2.135) 2.888 21.118 ( -1.005 -1.873 2.717) 3.450 21.453 ( 9.335 -10.784 -3.820) 14.765 21.929 ( -0.325 3.399 0.003) 3.414 21.960 ( -0.196 -1.109 -0.173) 1.140 22.055 ( 3.613 6.056 -4.366) 8.293 22.098 ( 0.361 3.170 -2.013) 3.772 22.201 ( -1.646 2.362 1.815) 3.403 22.349 ( -1.502 -1.605 -3.135) 3.829 22.657 ( 0.648 0.980 -0.233) 1.198 22.808 ( 2.071 -2.511 -0.434) 3.284 22.900 ( 0.477 -2.730 0.168) 2.776 23.077 ( -1.303 -1.729 3.273) 3.925 23.134 ( 1.092 0.537 -6.196) 6.314 23.204 ( -0.327 -2.700 6.545) 7.087 23.299 ( -9.063 -1.686 2.671) 9.597 23.374 ( -2.075 -2.484 -1.658) 3.636 23.882 ( -3.125 -1.143 1.557) 3.673 23.964 ( -0.079 -3.234 2.949) 4.377 24.103 ( 0.097 0.856 -0.494) 0.993 24.149 ( 2.629 4.768 1.520) 5.653 24.179 ( 1.867 4.031 -4.102) 6.046 24.261 ( 0.609 -0.829 -1.587) 1.891 24.377 ( -5.059 2.660 7.804) 9.673 24.568 ( -1.376 2.684 0.350) 3.036 24.629 ( -0.242 0.776 -0.581) 0.999 24.671 ( -1.339 6.071 2.290) 6.626 24.715 ( 1.991 0.961 0.017) 2.211 24.849 ( -1.246 -0.355 -2.368) 2.700 25.207 ( -0.507 -5.889 2.996) 6.626 25.436 ( -1.288 -4.696 -2.653) 5.546 ======================= Grid point 57 (25/80) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 4.503 3.880 6.899) 9.106 1.279 ( 8.959 -2.751 19.306) 21.461 1.396 ( 8.666 11.872 2.452) 14.901 1.625 ( -13.801 2.503 -6.573) 15.490 1.736 ( 3.165 7.445 -4.564) 9.289 1.928 ( -9.962 10.306 -6.183) 15.611 2.025 ( -3.361 2.749 4.387) 6.173 2.188 ( -3.363 2.417 -0.771) 4.213 2.297 ( -2.668 -0.892 -1.104) 3.022 2.417 ( -0.782 -3.634 -3.167) 4.884 2.466 ( 3.940 -0.231 -3.114) 5.028 2.548 ( 2.518 -0.555 1.653) 3.063 2.677 ( 4.074 -1.698 1.142) 4.559 2.763 ( 2.999 -4.715 0.022) 5.588 2.797 ( 3.383 -2.228 -0.507) 4.082 2.916 ( 3.158 -6.566 0.260) 7.290 2.957 ( 9.161 6.554 11.280) 15.941 3.022 ( -2.802 -5.365 2.983) 6.748 3.083 ( 0.734 -2.448 -0.933) 2.721 3.150 ( 4.224 1.247 -4.110) 6.024 3.175 ( 0.619 1.926 -0.687) 2.137 3.204 ( 2.276 -0.213 3.605) 4.269 3.284 ( 5.631 -5.631 -2.686) 8.404 3.303 ( 0.031 1.504 -0.837) 1.722 3.408 ( 0.417 0.912 2.126) 2.351 3.472 ( 0.138 2.518 -0.457) 2.563 3.570 ( -4.973 -1.053 -3.271) 6.045 3.626 ( 1.364 -0.022 2.542) 2.885 3.661 ( -1.286 -2.787 0.203) 3.076 3.698 ( 3.264 -1.687 2.243) 4.305 3.724 ( -2.782 6.130 -2.479) 7.174 3.812 ( -1.314 4.604 -1.470) 5.009 3.882 ( 2.894 4.044 0.181) 4.976 3.946 ( -1.487 3.225 -0.795) 3.639 3.965 ( -1.347 6.825 0.887) 7.013 4.009 ( -2.573 -1.025 -1.386) 3.097 4.095 ( 2.928 -6.392 -0.703) 7.066 4.163 ( 0.137 2.001 0.107) 2.009 4.205 ( 3.964 1.582 2.504) 4.948 4.217 ( -2.731 2.286 6.798) 7.675 4.274 ( -1.977 4.440 1.457) 5.074 4.374 ( -0.566 3.136 -0.139) 3.190 4.461 ( 1.805 0.864 -0.213) 2.013 4.479 ( 0.299 -0.191 1.729) 1.765 4.577 ( 8.415 -1.398 -1.148) 8.607 4.665 ( -2.066 4.859 -3.963) 6.602 4.732 ( -0.225 -4.790 -6.669) 8.214 4.773 ( 2.255 0.284 1.498) 2.722 4.889 ( 2.247 -1.469 -5.305) 5.946 4.913 ( -1.857 1.227 -4.170) 4.727 4.971 ( 3.201 -0.477 1.924) 3.765 5.008 ( -1.934 1.610 0.696) 2.611 5.051 ( 6.910 5.126 -0.622) 8.626 5.053 ( 3.826 -0.383 -0.357) 3.862 5.204 ( -1.090 8.155 -1.362) 8.340 5.322 ( -0.885 -0.395 -1.380) 1.686 5.392 ( -1.464 0.970 1.275) 2.170 5.591 ( 0.495 -1.163 4.216) 4.401 5.599 ( 1.310 -6.318 -0.416) 6.466 5.746 ( -5.625 2.221 -1.574) 6.249 5.878 ( -5.758 4.171 -3.927) 8.122 5.998 ( -5.602 2.472 -0.307) 6.130 6.101 ( -1.855 -0.995 -0.495) 2.162 6.115 ( -3.803 -3.420 1.881) 5.450 6.331 ( -5.659 2.514 4.971) 7.941 6.461 ( 2.571 -8.521 0.693) 8.927 6.564 ( -3.141 -4.845 -1.251) 5.908 6.652 ( 0.403 -5.643 0.304) 5.665 6.841 ( 1.220 -5.925 1.564) 6.248 6.879 ( -0.640 -2.837 -10.730) 11.117 6.980 ( -6.146 -1.556 -0.937) 6.409 7.101 ( -0.723 -0.429 -1.577) 1.788 7.146 ( 2.203 1.940 1.552) 3.320 7.251 ( -3.205 -4.351 3.604) 6.496 7.334 ( -0.538 -4.483 1.032) 4.632 7.406 ( -2.800 0.199 -3.558) 4.532 7.529 ( 0.794 -0.112 6.227) 6.279 7.606 ( 3.538 0.590 2.153) 4.184 7.646 ( -0.557 1.804 -5.229) 5.559 7.696 ( -0.478 4.160 1.590) 4.479 7.864 ( 2.976 -2.257 4.095) 5.543 7.976 ( 6.322 -0.958 0.517) 6.415 8.117 ( -1.251 4.609 2.356) 5.325 8.259 ( -1.541 2.958 -0.817) 3.434 8.290 ( -1.453 -0.661 -0.578) 1.697 8.407 ( -0.717 0.996 -0.096) 1.231 8.470 ( 0.243 -5.230 1.041) 5.338 8.542 ( -2.093 1.726 -0.565) 2.771 8.670 ( 3.069 0.179 -2.536) 3.985 8.752 ( 4.519 0.323 3.636) 5.809 8.923 ( 0.034 1.620 -0.421) 1.675 9.057 ( 0.502 -2.041 -5.438) 5.831 9.126 ( -2.377 -1.976 0.939) 3.230 9.273 ( 2.980 -0.222 0.191) 2.995 9.358 ( 1.568 -5.948 -0.781) 6.200 9.436 ( 2.335 -4.048 1.637) 4.952 9.520 ( -1.187 1.366 0.666) 1.928 9.660 ( 1.422 1.260 -1.152) 2.222 9.753 ( -2.175 -1.131 0.875) 2.603 9.869 ( 1.213 0.659 0.220) 1.398 10.020 ( 3.082 -2.009 -0.331) 3.694 10.051 ( 7.026 -1.372 -3.553) 7.992 10.230 ( -0.233 4.479 1.725) 4.805 10.315 ( 0.441 2.395 -3.514) 4.275 10.355 ( -5.601 -0.858 0.792) 5.722 10.401 ( -1.640 -1.145 -0.966) 2.221 10.458 ( -2.381 -4.016 -0.581) 4.705 10.688 ( 0.303 2.234 1.017) 2.473 10.830 ( -0.140 1.476 -4.516) 4.753 10.877 ( -1.162 3.457 -2.164) 4.241 10.963 ( -4.208 1.467 0.616) 4.499 11.009 ( -8.766 2.624 2.574) 9.505 11.340 ( -6.759 -0.357 0.913) 6.830 11.532 ( 2.572 2.155 3.051) 4.535 11.589 ( 5.589 1.091 2.884) 6.383 11.754 ( -7.804 -2.266 -4.039) 9.075 11.909 ( -1.681 -5.176 -0.290) 5.450 12.003 ( -5.430 -0.680 0.293) 5.480 12.361 ( -2.143 1.827 2.681) 3.888 12.450 ( 3.124 -0.157 -0.532) 3.173 12.487 ( 5.032 -10.215 -1.590) 11.497 12.555 ( 1.101 -2.109 1.662) 2.902 12.692 ( 6.161 0.482 -2.647) 6.723 12.883 ( 2.438 -2.094 -1.105) 3.399 12.992 ( -1.626 3.270 -1.360) 3.897 13.191 ( 2.897 1.673 -2.263) 4.039 13.305 ( -0.877 7.450 -2.580) 7.933 13.431 ( 4.575 3.284 -0.203) 5.635 13.627 ( 0.125 3.582 1.404) 3.849 13.776 ( 2.948 10.071 1.473) 10.597 13.943 ( -1.006 0.511 -2.107) 2.390 14.013 ( 5.368 4.678 3.010) 7.731 14.370 ( -5.521 1.208 -1.854) 5.948 14.651 ( -1.630 -3.269 0.202) 3.658 14.739 ( 0.048 0.657 -0.032) 0.659 15.067 ( 1.241 -3.596 -2.071) 4.331 15.390 ( 3.215 0.924 -2.315) 4.069 15.442 ( 3.299 -0.023 0.839) 3.404 15.568 ( -1.974 1.448 0.827) 2.584 15.743 ( -2.272 -5.460 6.012) 8.434 15.854 ( 3.910 -2.892 0.337) 4.875 15.944 ( -1.066 -9.495 1.596) 9.687 16.117 ( -0.007 4.459 -0.070) 4.459 16.507 ( 3.517 -2.447 -3.245) 5.374 16.706 ( -2.190 5.770 2.258) 6.572 16.880 ( 0.443 2.822 -1.034) 3.038 17.626 ( -0.410 -0.186 0.727) 0.855 17.694 ( 0.093 -0.817 -0.690) 1.074 20.931 ( 0.772 1.477 0.877) 1.884 20.982 ( 1.233 1.913 -1.829) 2.920 21.132 ( -0.822 -1.354 2.740) 3.165 21.544 ( 6.663 -12.488 -5.048) 15.028 21.924 ( -0.184 2.553 0.225) 2.569 21.953 ( -0.234 -0.836 -0.493) 0.998 22.072 ( 2.496 4.382 -2.996) 5.866 22.104 ( 1.656 2.045 -0.494) 2.678 22.212 ( 0.918 4.721 1.714) 5.105 22.303 ( -1.666 -1.618 0.377) 2.353 22.657 ( 0.994 1.069 -2.361) 2.776 22.831 ( 1.236 -0.748 -0.473) 1.521 22.892 ( -3.936 -4.357 1.191) 5.991 23.006 ( -3.099 -0.670 -0.780) 3.265 23.069 ( -0.502 0.786 -6.119) 6.189 23.255 ( -1.876 -1.788 5.334) 5.930 23.295 ( 1.046 -0.863 1.419) 1.963 23.391 ( 0.604 -4.156 7.384) 8.495 23.846 ( -2.182 -0.974 0.623) 2.469 23.983 ( -1.248 -3.954 2.605) 4.897 24.102 ( 0.225 0.615 -1.439) 1.581 24.150 ( 1.028 4.202 -5.391) 6.912 24.190 ( 1.814 3.465 -1.486) 4.184 24.260 ( 0.577 0.158 -0.096) 0.606 24.394 ( -4.070 2.596 9.932) 11.043 24.547 ( -0.718 2.910 -0.476) 3.035 24.617 ( -0.267 0.736 0.204) 0.809 24.680 ( -1.404 7.128 3.391) 8.018 24.746 ( 1.662 0.383 -0.685) 1.839 24.808 ( -0.302 -0.794 -2.323) 2.473 25.192 ( -2.057 -4.427 -0.232) 4.888 25.381 ( -1.148 -4.231 -2.983) 5.302 ======================= Grid point 58 (26/80) ======================= q-point: (-0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -18.350 0.278 -1.175) 18.390 1.394 ( 1.986 6.188 17.264) 18.447 1.441 ( -8.602 5.791 0.001) 10.369 1.576 ( 12.221 8.155 -5.456) 15.673 1.786 ( 2.534 6.299 2.169) 7.128 1.922 ( 7.503 3.154 9.946) 12.852 1.989 ( -0.202 5.349 3.228) 6.251 2.202 ( 3.361 0.359 1.969) 3.912 2.253 ( -2.944 6.194 0.990) 6.929 2.409 ( 2.957 -3.967 -4.243) 6.518 2.483 ( 1.305 0.532 0.491) 1.493 2.597 ( 1.204 -0.118 0.532) 1.322 2.696 ( -1.341 0.227 -2.807) 3.119 2.760 ( 0.022 -4.646 -3.953) 6.100 2.799 ( -2.265 -4.712 -0.548) 5.256 2.916 ( -6.234 -4.142 -4.276) 8.620 2.963 ( -5.127 0.344 -1.219) 5.282 2.992 ( 4.144 -5.287 -2.196) 7.067 3.134 ( -1.979 0.730 0.388) 2.145 3.175 ( 0.775 1.151 1.459) 2.013 3.206 ( -2.909 -0.334 1.540) 3.308 3.278 ( 0.833 -4.437 3.927) 5.983 3.366 ( 0.069 0.753 1.143) 1.370 3.382 ( 3.270 -1.434 0.860) 3.673 3.432 ( 5.139 -2.424 -1.965) 6.012 3.475 ( -3.598 3.036 5.969) 7.602 3.504 ( -3.059 2.928 2.704) 5.024 3.610 ( -2.194 4.350 -0.019) 4.872 3.632 ( 0.257 1.922 -1.472) 2.434 3.685 ( 3.301 2.844 -0.007) 4.357 3.730 ( -0.677 -0.053 0.891) 1.120 3.807 ( -1.110 -1.857 -1.159) 2.454 3.867 ( 1.998 -1.881 -2.024) 3.409 3.943 ( -0.092 1.339 -3.938) 4.160 3.969 ( -1.626 3.260 2.088) 4.199 3.987 ( -0.641 3.034 2.345) 3.888 4.062 ( 2.567 0.858 0.001) 2.706 4.104 ( -4.655 1.860 -1.863) 5.347 4.189 ( -1.816 5.719 -0.102) 6.002 4.227 ( -2.586 3.075 -0.685) 4.076 4.360 ( 2.941 0.404 -1.428) 3.295 4.377 ( -0.004 2.114 4.984) 5.414 4.431 ( -4.803 3.550 -2.615) 6.520 4.484 ( -4.694 4.220 -4.172) 7.566 4.574 ( 0.746 -4.201 -1.311) 4.464 4.670 ( 1.753 3.272 -0.507) 3.746 4.724 ( 1.557 -4.337 -0.576) 4.644 4.823 ( 2.415 -1.418 -0.998) 2.973 4.850 ( 3.680 -0.211 -0.436) 3.712 4.907 ( 9.655 3.247 -4.560) 11.161 4.961 ( -1.463 3.495 -2.876) 4.757 5.035 ( -1.228 0.063 2.926) 3.174 5.107 ( 0.063 0.790 2.001) 2.152 5.209 ( 4.085 1.403 5.272) 6.816 5.240 ( 6.987 7.184 1.816) 10.184 5.288 ( -3.057 1.899 0.534) 3.638 5.420 ( 1.505 -4.869 -1.052) 5.204 5.593 ( -2.102 -6.648 2.109) 7.285 5.633 ( 1.530 4.400 0.448) 4.680 5.695 ( 1.132 1.428 2.756) 3.304 5.781 ( -0.358 0.630 -3.633) 3.704 5.881 ( -3.059 0.732 -4.880) 5.806 6.052 ( -2.313 -1.575 -1.528) 3.189 6.095 ( -1.305 -4.052 0.570) 4.295 6.297 ( -3.438 1.261 2.490) 4.428 6.514 ( 0.908 -8.639 1.030) 8.748 6.537 ( 0.006 -3.188 1.470) 3.511 6.628 ( -0.579 -6.202 -2.786) 6.824 6.764 ( -0.572 -5.268 -9.395) 10.787 6.816 ( -0.189 -5.001 -6.193) 7.962 6.897 ( 0.517 -1.788 -3.820) 4.250 7.061 ( -0.816 -0.242 -2.984) 3.103 7.167 ( -2.140 8.518 1.663) 8.939 7.209 ( -2.484 -3.314 -0.742) 4.207 7.338 ( -1.622 -2.303 -0.203) 2.824 7.380 ( 2.597 -0.370 0.388) 2.651 7.609 ( -1.947 -1.104 9.470) 9.731 7.615 ( 2.343 0.816 -4.830) 5.430 7.650 ( 1.420 0.475 1.971) 2.475 7.747 ( 1.222 3.892 5.667) 6.983 7.917 ( -3.079 1.774 4.922) 6.071 8.012 ( -1.428 -0.621 -2.833) 3.233 8.088 ( -2.436 -3.599 -0.634) 4.392 8.244 ( 2.061 6.248 -0.162) 6.581 8.274 ( -1.483 1.669 1.700) 2.806 8.400 ( 0.244 -4.310 -1.568) 4.593 8.480 ( 0.605 -2.356 -0.988) 2.625 8.491 ( -1.935 2.921 -2.165) 4.119 8.702 ( 2.305 2.203 -2.652) 4.147 8.767 ( -4.942 0.595 -0.739) 5.033 8.936 ( 2.736 1.608 1.499) 3.510 9.013 ( 1.143 -4.042 -5.493) 6.915 9.130 ( 1.025 -2.026 2.493) 3.372 9.306 ( 1.418 -2.185 -1.104) 2.829 9.394 ( -0.832 -2.784 5.443) 6.170 9.471 ( -1.266 -2.904 2.072) 3.785 9.529 ( 0.640 3.152 1.211) 3.437 9.680 ( 2.725 1.612 -1.306) 3.425 9.757 ( -0.005 -2.590 3.628) 4.458 9.892 ( -0.311 -0.589 2.473) 2.561 10.062 ( 0.888 -1.996 0.784) 2.321 10.127 ( 6.001 -1.924 -5.111) 8.114 10.215 ( -0.401 1.151 -1.718) 2.107 10.260 ( -3.588 -3.014 -0.466) 4.709 10.293 ( 0.554 6.087 -1.974) 6.423 10.413 ( 2.215 -4.339 -0.448) 4.892 10.451 ( 0.736 1.724 1.214) 2.233 10.665 ( -3.112 4.563 -1.589) 5.747 10.787 ( 1.833 1.428 -5.171) 5.669 10.831 ( 0.128 0.415 -3.752) 3.777 10.932 ( -1.859 0.751 0.556) 2.081 10.936 ( 0.350 0.650 1.170) 1.383 11.285 ( -0.331 2.487 1.093) 2.737 11.557 ( -3.899 -0.353 -1.416) 4.163 11.604 ( -5.364 0.220 -0.426) 5.385 11.710 ( 5.764 -0.844 1.345) 5.979 11.878 ( 1.005 3.400 1.276) 3.768 11.969 ( 1.008 -8.720 -1.244) 8.866 12.364 ( -1.836 1.613 4.448) 5.075 12.478 ( 0.768 0.790 -0.180) 1.116 12.529 ( 0.333 -11.446 0.572) 11.465 12.585 ( -0.283 -2.109 2.131) 3.012 12.766 ( 6.621 0.329 -4.075) 7.782 12.855 ( -4.862 -3.035 0.135) 5.733 13.006 ( 3.920 5.241 -1.063) 6.630 13.214 ( 1.426 0.902 0.125) 1.691 13.281 ( 1.403 4.160 -4.063) 5.982 13.467 ( -0.572 2.469 0.139) 2.539 13.602 ( -2.394 4.713 -1.409) 5.471 13.732 ( -3.729 7.663 -5.064) 9.913 13.990 ( 3.735 2.859 3.311) 5.751 14.074 ( -2.907 5.562 1.395) 6.428 14.350 ( 4.090 1.968 2.821) 5.344 14.666 ( 0.199 -3.425 2.303) 4.132 14.744 ( 1.145 1.073 1.209) 1.981 15.093 ( 2.759 -3.682 0.707) 4.655 15.401 ( 0.418 -0.318 -2.064) 2.130 15.453 ( -1.349 -0.433 -1.254) 1.892 15.550 ( 0.054 2.652 -0.612) 2.722 15.723 ( -2.745 -2.374 -2.565) 4.444 15.870 ( -3.026 -9.234 3.484) 10.323 15.960 ( -0.055 -8.363 1.965) 8.591 16.149 ( 1.618 3.842 3.360) 5.354 16.532 ( 2.572 -3.777 -2.550) 5.233 16.699 ( -1.506 6.719 2.768) 7.422 16.877 ( 0.479 3.256 -1.093) 3.467 17.624 ( -0.556 -0.149 0.491) 0.757 17.691 ( 0.441 -0.787 -0.629) 1.100 20.937 ( -0.798 1.345 0.278) 1.588 20.988 ( 1.257 1.732 -1.358) 2.534 21.141 ( -1.589 -1.327 3.001) 3.646 21.578 ( 3.328 -13.159 -5.172) 14.525 21.927 ( 0.040 2.435 0.362) 2.462 21.947 ( 0.217 -0.107 -0.423) 0.488 22.086 ( 2.036 4.134 -1.369) 4.807 22.130 ( 1.473 0.860 0.213) 1.719 22.237 ( 1.938 3.519 -2.679) 4.829 22.333 ( 0.139 -0.040 8.478) 8.480 22.642 ( 1.227 -0.011 -4.725) 4.882 22.790 ( -5.317 -1.926 1.530) 5.858 22.876 ( 2.308 1.246 -0.451) 2.662 22.978 ( -0.680 -0.574 -0.829) 1.217 23.005 ( -0.598 0.900 -4.062) 4.203 23.193 ( -1.917 -3.099 -5.703) 6.767 23.398 ( 0.437 -1.606 9.200) 9.349 23.461 ( -1.159 -1.732 8.141) 8.403 23.831 ( -0.220 -1.586 0.531) 1.687 23.980 ( -2.130 -4.454 2.794) 5.673 24.065 ( 0.202 2.790 -5.369) 6.054 24.117 ( 0.153 2.919 -3.009) 4.195 24.190 ( 0.722 5.183 -2.887) 5.976 24.273 ( 0.548 -0.785 0.408) 1.041 24.427 ( -4.388 1.721 10.055) 11.105 24.541 ( 0.297 2.378 0.173) 2.403 24.627 ( 0.416 1.418 1.289) 1.961 24.690 ( -1.720 6.249 3.933) 7.581 24.749 ( -0.084 0.816 -1.425) 1.644 24.799 ( 1.600 -1.546 -1.769) 2.843 25.144 ( -1.385 -4.666 -3.432) 5.956 25.355 ( 2.093 -3.799 -3.107) 5.335 ======================= Grid point 59 (27/80) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -18.561 9.940 6.600) 22.066 1.137 ( -20.572 14.043 0.222) 24.909 1.658 ( 6.614 4.064 3.244) 8.413 1.734 ( -8.849 3.795 9.083) 13.237 1.849 ( 9.269 6.941 6.107) 13.091 2.019 ( -0.371 1.925 8.286) 8.515 2.215 ( 0.982 9.144 0.689) 9.223 2.230 ( 8.946 2.283 5.077) 10.537 2.263 ( 2.512 -1.982 -3.510) 4.750 2.409 ( 1.028 0.085 -3.132) 3.298 2.476 ( -3.102 0.336 -2.165) 3.798 2.578 ( -4.241 0.803 -1.235) 4.490 2.636 ( -4.888 3.678 0.563) 6.143 2.673 ( 0.198 3.460 -3.767) 5.119 2.751 ( -3.536 -7.114 -4.491) 9.126 2.776 ( -1.521 -2.030 1.365) 2.881 2.866 ( -2.128 -1.988 -1.270) 3.177 2.988 ( -4.709 0.070 2.597) 5.378 3.032 ( -1.512 -1.707 -3.598) 4.259 3.163 ( 0.096 -1.263 -4.794) 4.958 3.212 ( -2.352 -2.608 -2.215) 4.152 3.239 ( 0.395 -0.199 4.193) 4.216 3.358 ( 0.736 -0.909 -0.385) 1.231 3.377 ( -1.800 -1.224 -4.415) 4.922 3.438 ( -1.240 -5.170 2.230) 5.765 3.498 ( -2.704 -0.187 -1.224) 2.974 3.536 ( 2.696 0.787 0.715) 2.898 3.596 ( -3.908 -1.945 3.110) 5.360 3.675 ( -1.772 -1.185 -0.665) 2.233 3.737 ( 2.325 0.354 3.838) 4.501 3.756 ( -1.724 -0.098 -0.078) 1.729 3.809 ( -2.067 -0.206 1.108) 2.354 3.840 ( 3.839 1.199 4.623) 6.128 3.874 ( -3.009 1.184 -2.042) 3.825 3.977 ( -1.035 4.046 -1.402) 4.406 3.989 ( -0.916 3.659 0.412) 3.794 4.084 ( -3.134 2.500 0.102) 4.010 4.099 ( 2.921 3.772 -0.397) 4.787 4.147 ( 1.837 3.629 -1.644) 4.387 4.194 ( -2.592 6.311 -3.560) 7.695 4.224 ( 0.362 4.181 -3.313) 5.346 4.373 ( 0.151 1.699 -1.628) 2.358 4.403 ( -1.937 5.519 2.265) 6.273 4.452 ( 0.948 4.357 -1.309) 4.648 4.502 ( -4.940 -0.824 -0.853) 5.080 4.652 ( -4.318 5.077 -1.444) 6.819 4.744 ( -0.653 -2.117 2.243) 3.153 4.851 ( 0.878 -1.069 0.838) 1.617 4.871 ( -2.565 2.138 -2.317) 4.064 4.938 ( -2.490 1.392 1.786) 3.366 5.007 ( 3.717 0.266 -2.810) 4.667 5.105 ( 3.999 -4.015 5.679) 8.022 5.152 ( 1.550 1.233 0.645) 2.083 5.262 ( -0.413 -2.135 3.254) 3.913 5.282 ( 3.625 1.732 1.217) 4.198 5.383 ( 5.829 0.169 -0.643) 5.867 5.422 ( 1.680 -1.936 4.673) 5.330 5.581 ( -2.224 -7.275 1.143) 7.692 5.648 ( 1.351 -2.538 -3.170) 4.280 5.727 ( 2.168 3.594 -7.710) 8.779 5.805 ( 5.619 0.939 -2.189) 6.103 5.851 ( 0.439 5.170 2.960) 5.973 5.985 ( 1.597 -3.996 -10.227) 11.095 6.106 ( 2.523 -2.816 0.919) 3.891 6.288 ( 0.091 -1.363 5.171) 5.349 6.489 ( -2.240 -6.740 0.874) 7.156 6.549 ( -0.515 -4.275 -4.278) 6.070 6.628 ( 0.665 -3.423 -1.484) 3.789 6.691 ( 2.734 -4.720 -4.400) 7.008 6.750 ( 0.851 -3.425 -5.258) 6.332 6.889 ( 0.755 -2.832 -4.025) 4.979 7.036 ( 3.966 0.461 -5.575) 6.857 7.123 ( -0.992 8.086 -1.344) 8.257 7.209 ( 1.439 1.655 2.179) 3.092 7.301 ( -2.490 -3.599 -0.309) 4.388 7.425 ( 0.784 -0.522 0.500) 1.066 7.523 ( -6.014 -0.474 -0.242) 6.038 7.695 ( -0.144 -0.319 7.276) 7.285 7.742 ( 4.489 -2.365 2.544) 5.676 7.816 ( -3.183 4.926 5.756) 8.217 7.869 ( -5.997 -1.043 1.940) 6.389 7.929 ( -2.298 3.227 1.721) 4.319 8.062 ( -0.378 -2.923 -1.861) 3.486 8.237 ( -4.802 3.740 1.429) 6.252 8.282 ( 3.067 4.282 -2.265) 5.733 8.362 ( -3.262 -5.673 -1.966) 6.833 8.435 ( -3.864 -1.252 -3.206) 5.175 8.448 ( -1.380 2.293 0.149) 2.680 8.612 ( -4.466 1.138 -3.956) 6.074 8.702 ( -2.897 -0.039 -0.221) 2.906 8.981 ( 2.085 -3.679 -3.912) 5.761 9.074 ( 8.231 0.276 1.454) 8.363 9.185 ( 1.633 -5.012 2.289) 5.747 9.290 ( -0.945 -2.603 -2.305) 3.603 9.414 ( -3.599 1.111 4.990) 6.252 9.480 ( 1.091 0.844 2.159) 2.562 9.550 ( -0.044 3.288 2.005) 3.852 9.722 ( 1.632 -0.079 0.408) 1.684 9.791 ( -0.384 -4.450 2.871) 5.310 9.916 ( 0.998 -1.303 1.015) 1.930 10.038 ( -2.857 -0.571 -1.546) 3.298 10.141 ( -2.006 -2.514 0.644) 3.280 10.183 ( 0.603 -2.428 -1.935) 3.162 10.255 ( 0.701 -1.060 -2.062) 2.422 10.286 ( 2.076 3.896 -1.502) 4.663 10.464 ( 4.032 -1.304 -0.715) 4.297 10.488 ( 2.307 0.610 1.200) 2.671 10.587 ( -1.123 4.556 -3.661) 5.951 10.792 ( 3.662 4.448 -3.944) 6.982 10.820 ( 3.169 -0.914 -2.942) 4.420 10.950 ( 4.468 2.019 -1.811) 5.227 11.002 ( 5.087 2.503 2.243) 6.097 11.324 ( 1.113 4.281 0.570) 4.460 11.451 ( -3.440 -1.104 -2.860) 4.607 11.525 ( -3.324 0.856 2.622) 4.320 11.817 ( 5.421 -6.044 -0.360) 8.127 11.976 ( 6.109 -0.068 0.650) 6.144 11.998 ( 4.074 -5.195 0.937) 6.668 12.366 ( -2.475 3.140 1.668) 4.332 12.482 ( -1.005 -0.805 1.594) 2.049 12.526 ( -1.658 -8.594 2.128) 9.008 12.580 ( -3.138 -4.401 1.986) 5.758 12.731 ( -6.147 0.698 -3.171) 6.952 12.846 ( 4.710 -1.100 -1.541) 5.077 13.056 ( 1.975 4.320 -0.357) 4.763 13.233 ( 4.341 0.786 -8.050) 9.180 13.280 ( 0.846 0.887 2.846) 3.098 13.407 ( -5.521 -0.604 -0.479) 5.575 13.556 ( -2.029 7.526 -0.427) 7.806 13.594 ( -5.997 6.157 -4.049) 9.501 13.988 ( -2.700 10.018 1.171) 10.442 14.139 ( 6.048 2.280 3.443) 7.324 14.500 ( 6.955 2.436 4.936) 8.870 14.595 ( -4.886 -0.368 -4.527) 6.671 14.859 ( 3.596 -0.757 5.885) 6.938 15.149 ( 2.360 -6.355 -0.720) 6.817 15.359 ( -1.917 -1.978 -1.075) 2.957 15.430 ( -0.060 0.657 -0.553) 0.861 15.530 ( -1.076 2.832 -2.968) 4.241 15.597 ( -4.036 0.305 -9.039) 9.904 15.847 ( -7.586 -14.573 9.076) 18.770 15.969 ( -0.754 -8.379 1.443) 8.536 16.220 ( 0.927 1.774 5.003) 5.388 16.537 ( 1.322 -4.183 -3.079) 5.360 16.717 ( 0.004 7.552 3.610) 8.370 16.871 ( 0.292 3.249 -1.582) 3.626 17.619 ( -0.518 0.022 0.397) 0.652 17.695 ( 0.701 -0.793 -0.545) 1.191 20.913 ( -1.921 1.003 -0.060) 2.168 20.994 ( 0.983 1.277 -1.137) 1.972 21.138 ( -2.453 -1.690 3.213) 4.381 21.543 ( -1.117 -13.819 -5.993) 15.104 21.928 ( -0.160 2.605 -0.099) 2.612 21.952 ( 0.627 0.852 -0.158) 1.069 22.112 ( 1.798 3.891 -0.327) 4.299 22.154 ( 1.723 1.575 -1.642) 2.854 22.235 ( 1.104 2.476 -2.792) 3.892 22.445 ( 0.686 -2.727 9.535) 9.941 22.595 ( 0.055 -1.321 -5.333) 5.495 22.747 ( -2.374 1.038 2.962) 3.935 22.919 ( 2.843 2.148 -0.001) 3.563 22.960 ( 0.869 2.260 -2.023) 3.156 22.971 ( -0.166 1.041 -1.142) 1.554 23.104 ( -0.947 -1.440 -5.516) 5.779 23.442 ( -1.852 -1.559 3.923) 4.610 23.566 ( 0.979 -3.136 10.217) 10.732 23.849 ( 1.505 -1.836 1.495) 2.805 23.977 ( -2.128 -2.614 5.075) 6.093 24.023 ( 1.393 4.540 -5.051) 6.933 24.092 ( -0.577 1.712 -0.976) 2.053 24.168 ( 1.063 6.265 -2.938) 7.001 24.280 ( 0.229 -1.351 -0.608) 1.499 24.447 ( -4.997 1.076 9.679) 10.946 24.556 ( 0.286 1.313 1.266) 1.846 24.651 ( 0.110 3.584 2.513) 4.379 24.700 ( -1.314 1.695 1.721) 2.749 24.727 ( -1.682 4.025 1.496) 4.612 24.808 ( 1.757 -2.585 -3.491) 4.686 25.069 ( -1.198 -5.355 -7.136) 9.002 25.386 ( 4.798 -3.882 -2.972) 6.850 ======================= Grid point 60 (28/80) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -8.196 22.226 17.965) 29.731 0.833 ( -17.621 20.087 8.028) 27.900 1.321 ( -32.295 20.473 11.828) 40.025 1.891 ( 7.785 1.307 3.651) 8.698 1.975 ( -2.735 3.406 0.241) 4.375 2.052 ( -2.462 1.381 3.033) 4.144 2.239 ( 1.611 3.474 -4.028) 5.558 2.243 ( 0.518 -0.894 0.738) 1.269 2.346 ( -3.622 1.401 -4.693) 6.091 2.374 ( 7.644 1.958 -11.172) 13.678 2.449 ( 1.786 1.180 3.201) 3.850 2.488 ( 2.107 -0.094 -5.208) 5.619 2.625 ( -4.380 1.606 2.510) 5.297 2.659 ( 1.023 0.573 6.976) 7.074 2.728 ( 0.325 -3.444 -0.175) 3.464 2.769 ( -0.420 -4.514 1.455) 4.761 2.888 ( 7.250 -5.679 -2.412) 9.520 3.009 ( 1.519 0.630 -1.411) 2.167 3.036 ( 1.876 0.123 -2.521) 3.145 3.080 ( 2.297 -1.095 -4.375) 5.061 3.213 ( 1.592 -0.652 -0.661) 1.843 3.226 ( -6.101 -3.241 0.572) 6.932 3.289 ( -1.081 -2.567 -1.493) 3.160 3.351 ( -6.842 -1.507 -0.658) 7.037 3.366 ( -1.413 3.148 -6.603) 7.450 3.415 ( -2.675 -0.719 -0.298) 2.786 3.521 ( -5.167 -2.036 1.891) 5.867 3.550 ( -2.953 -0.384 2.551) 3.921 3.584 ( -3.411 -2.932 1.243) 4.666 3.727 ( -3.038 0.211 -3.091) 4.340 3.774 ( -3.379 2.766 -1.406) 4.587 3.781 ( 0.618 1.370 3.485) 3.795 3.823 ( -2.413 -2.992 -0.556) 3.884 3.879 ( -0.407 7.405 -0.406) 7.427 3.979 ( -0.267 -0.695 2.388) 2.501 4.012 ( 0.188 -0.417 3.425) 3.456 4.031 ( -2.072 4.497 1.377) 5.139 4.071 ( 1.714 13.354 -0.043) 13.464 4.204 ( 5.637 6.607 -1.929) 8.897 4.225 ( 0.610 -2.114 -1.037) 2.432 4.311 ( 2.314 0.508 1.883) 3.026 4.349 ( -7.228 5.200 1.546) 9.037 4.369 ( 2.215 2.311 4.426) 5.462 4.425 ( 3.351 2.456 -2.463) 4.830 4.453 ( -0.918 9.118 1.522) 9.290 4.585 ( -0.746 1.526 -0.956) 1.949 4.695 ( -6.805 6.124 -2.279) 9.434 4.821 ( -1.750 -0.475 -1.557) 2.390 4.846 ( 0.252 -3.552 1.216) 3.763 4.949 ( 1.539 1.989 1.025) 2.716 5.034 ( 1.581 4.808 -2.341) 5.576 5.110 ( -0.991 -0.543 -1.098) 1.575 5.190 ( 1.085 -3.975 3.478) 5.392 5.261 ( -1.716 -5.601 -1.381) 6.019 5.294 ( -2.926 -6.441 -1.952) 7.338 5.439 ( -0.636 -2.167 -8.405) 8.703 5.496 ( -2.088 -3.682 3.339) 5.391 5.540 ( -0.429 -3.835 2.738) 4.732 5.627 ( -1.175 1.260 -7.416) 7.614 5.775 ( 11.964 4.480 -3.388) 13.217 5.780 ( -0.473 4.256 -1.246) 4.460 5.940 ( 6.181 2.819 -0.756) 6.836 5.997 ( 5.994 -2.671 3.888) 7.628 6.211 ( 8.508 -3.518 4.254) 10.142 6.369 ( 1.426 -3.609 2.779) 4.773 6.455 ( -0.482 -0.615 3.198) 3.292 6.522 ( 1.038 -7.080 -0.412) 7.168 6.555 ( -3.800 -1.658 -2.946) 5.086 6.740 ( 1.245 -5.937 -2.595) 6.598 6.777 ( 2.086 3.462 3.865) 5.592 6.787 ( -6.086 -4.818 0.159) 7.763 7.106 ( 9.151 -0.363 -3.684) 9.872 7.151 ( 5.435 2.423 -2.169) 6.333 7.246 ( -1.597 1.607 1.133) 2.533 7.277 ( 3.007 -0.397 -0.526) 3.079 7.381 ( -0.864 0.819 -2.932) 3.165 7.510 ( -0.375 2.119 1.759) 2.779 7.680 ( -6.916 1.137 -0.658) 7.040 7.709 ( -6.346 -2.701 3.156) 7.585 7.764 ( -7.560 2.094 4.314) 8.953 7.887 ( -0.295 -8.360 7.290) 11.095 7.992 ( 1.053 3.734 3.198) 5.027 8.031 ( 1.749 0.009 -0.632) 1.860 8.169 ( -7.218 4.459 3.201) 9.068 8.243 ( -4.295 -0.655 -3.891) 5.832 8.297 ( 0.533 -0.245 -1.477) 1.589 8.341 ( -1.264 -1.093 0.856) 1.877 8.468 ( 1.748 1.495 0.353) 2.326 8.552 ( -0.537 -0.468 -0.511) 0.877 8.626 ( -5.504 1.823 0.694) 5.840 8.981 ( 3.088 -3.478 -4.179) 6.253 9.168 ( 1.986 -4.803 -2.132) 5.618 9.221 ( 0.800 -5.450 -1.112) 5.619 9.260 ( -0.111 -1.012 -0.208) 1.039 9.405 ( -1.285 3.918 2.414) 4.778 9.528 ( 0.939 1.331 2.306) 2.823 9.569 ( -0.432 2.634 2.332) 3.544 9.710 ( -1.302 -2.846 -3.452) 4.659 9.804 ( -0.348 -1.338 -0.119) 1.387 9.924 ( -0.192 -2.355 -1.907) 3.036 9.965 ( -2.167 1.188 -1.953) 3.150 10.100 ( -0.827 -2.077 -4.266) 4.816 10.178 ( -4.085 2.223 1.961) 5.047 10.213 ( -1.630 -4.449 4.384) 6.455 10.349 ( 4.319 -0.820 0.661) 4.446 10.508 ( 2.632 0.609 -2.631) 3.772 10.525 ( 3.458 0.173 -2.621) 4.343 10.627 ( 7.700 1.796 -0.969) 7.966 10.827 ( 1.769 5.328 1.146) 5.729 10.864 ( 4.410 0.756 -1.573) 4.743 11.038 ( 8.473 4.023 -4.019) 10.204 11.146 ( 8.038 4.900 3.152) 9.927 11.283 ( -3.997 6.599 0.398) 7.726 11.390 ( -2.111 -1.727 0.982) 2.899 11.594 ( 3.792 -2.548 4.499) 6.412 11.858 ( 0.986 -10.693 -2.547) 11.036 12.056 ( 4.548 -3.418 -0.658) 5.727 12.117 ( 2.935 -0.983 3.215) 4.463 12.309 ( -3.414 4.407 -1.838) 5.870 12.448 ( -8.488 -5.598 2.206) 10.404 12.493 ( -3.970 -2.010 0.420) 4.470 12.555 ( 3.655 -1.793 0.040) 4.071 12.619 ( -3.129 -1.024 -1.804) 3.754 12.864 ( -3.113 -3.400 -2.175) 5.097 13.059 ( 3.622 6.830 -5.212) 9.324 13.238 ( 4.898 2.830 -6.436) 8.569 13.296 ( -3.138 -1.174 -1.885) 3.845 13.360 ( 0.246 1.871 6.503) 6.771 13.451 ( -4.706 4.569 -1.874) 6.822 13.528 ( -2.952 3.777 1.483) 5.018 14.029 ( 8.449 18.696 -5.036) 21.125 14.280 ( 5.525 0.301 2.884) 6.239 14.445 ( -4.633 1.132 -4.894) 6.834 14.656 ( 4.607 2.174 2.867) 5.846 14.895 ( -2.829 -3.245 0.082) 4.306 15.050 ( -8.945 -6.887 -12.664) 16.965 15.359 ( 0.798 -1.654 2.449) 3.061 15.413 ( -2.512 -0.391 -3.143) 4.042 15.466 ( 1.221 2.498 3.170) 4.217 15.492 ( -2.141 2.263 -2.463) 3.971 15.789 ( -11.620 -15.216 12.206) 22.706 15.968 ( -0.880 -8.694 1.122) 8.810 16.254 ( -2.090 0.052 2.074) 2.944 16.518 ( 1.123 -3.410 -4.338) 5.630 16.767 ( 0.891 6.133 2.283) 6.605 16.857 ( 0.282 3.090 -0.916) 3.235 17.616 ( -0.311 0.191 0.497) 0.617 17.702 ( 0.619 -0.832 -0.516) 1.158 20.882 ( -1.392 0.827 0.134) 1.624 20.997 ( 0.839 0.961 -1.393) 1.888 21.126 ( -2.708 -2.165 3.024) 4.601 21.409 ( -6.154 -8.514 -5.922) 12.060 21.923 ( -0.244 3.346 0.204) 3.361 21.962 ( 0.649 0.530 -0.243) 0.873 22.120 ( 1.021 4.764 -5.913) 7.662 22.139 ( 1.835 5.147 -4.935) 7.363 22.225 ( -1.061 1.604 1.398) 2.378 22.473 ( -1.065 -6.187 -3.112) 7.007 22.595 ( 0.005 -0.289 4.548) 4.557 22.752 ( -1.654 -3.776 3.794) 5.603 22.931 ( 0.281 2.089 -2.418) 3.208 22.975 ( 0.377 0.329 1.880) 1.945 23.042 ( 9.338 5.881 -0.992) 11.080 23.067 ( 1.306 -0.259 -1.927) 2.343 23.442 ( -1.835 -1.247 2.184) 3.114 23.648 ( -1.184 -9.220 4.279) 10.233 23.902 ( 1.757 -3.989 0.953) 4.462 23.992 ( -1.471 -1.171 0.636) 1.985 24.051 ( -0.088 2.763 4.389) 5.187 24.098 ( 4.200 1.114 -0.831) 4.424 24.198 ( 4.904 5.931 -0.334) 7.703 24.272 ( 0.197 -1.567 -1.481) 2.165 24.485 ( -1.361 1.312 11.402) 11.558 24.565 ( -1.166 0.308 0.777) 1.435 24.653 ( -4.807 1.983 -3.170) 6.090 24.693 ( -2.818 1.295 -1.741) 3.556 24.703 ( 0.487 0.764 3.406) 3.524 24.784 ( 0.423 3.583 3.508) 5.032 24.980 ( -0.242 -2.208 -4.365) 4.897 25.439 ( 4.275 -4.378 -2.666) 6.675 ======================= Grid point 61 (29/80) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -14.156 23.226 6.034) 27.861 1.144 ( -5.846 20.791 6.954) 22.689 1.704 ( -1.236 1.575 -0.705) 2.122 1.838 ( -4.514 2.888 3.224) 6.254 1.939 ( -1.706 -6.209 0.019) 6.439 2.092 ( 2.329 -0.048 2.083) 3.125 2.129 ( -1.287 1.814 -1.795) 2.858 2.314 ( 1.927 2.842 -5.040) 6.098 2.356 ( 1.625 1.686 -3.315) 4.059 2.384 ( 3.171 0.372 -4.203) 5.278 2.473 ( 1.574 3.223 -3.247) 4.839 2.566 ( 3.129 4.203 -2.275) 5.712 2.623 ( 0.708 -3.005 0.067) 3.088 2.664 ( 1.687 -1.079 -0.487) 2.061 2.679 ( 2.177 -0.142 -2.992) 3.703 2.747 ( -2.442 -1.936 0.486) 3.154 2.886 ( 2.223 -2.509 -3.890) 5.135 2.926 ( 3.570 2.090 0.207) 4.142 3.036 ( 2.774 -3.598 1.971) 4.952 3.116 ( -7.669 1.972 -1.578) 8.074 3.154 ( 0.002 2.061 0.334) 2.088 3.163 ( -3.718 -1.954 4.798) 6.377 3.209 ( -0.478 -1.814 0.939) 2.097 3.286 ( 1.655 -3.918 -0.921) 4.352 3.357 ( -5.082 -2.172 0.628) 5.562 3.413 ( -3.959 -1.314 1.899) 4.583 3.437 ( 0.181 4.343 -3.494) 5.577 3.589 ( 3.864 1.373 3.778) 5.576 3.617 ( 0.778 -0.021 0.749) 1.081 3.699 ( -0.040 -5.112 0.327) 5.123 3.757 ( 1.579 -4.026 1.661) 4.633 3.770 ( 1.150 1.528 1.876) 2.679 3.832 ( 2.247 9.868 -1.042) 10.174 3.919 ( 0.519 3.160 0.415) 3.229 4.003 ( 1.059 1.188 4.978) 5.226 4.072 ( -3.158 -0.702 7.117) 7.818 4.114 ( -0.113 -1.501 -1.917) 2.437 4.220 ( 3.368 6.304 -4.201) 8.290 4.310 ( 0.541 3.474 -2.778) 4.481 4.313 ( -4.792 6.423 -7.055) 10.676 4.366 ( -1.626 8.543 -0.624) 8.719 4.410 ( -0.148 2.598 0.687) 2.691 4.496 ( 1.895 6.314 0.041) 6.592 4.554 ( -1.641 0.467 -0.249) 1.725 4.591 ( -6.409 4.288 -2.317) 8.052 4.618 ( 5.639 2.140 5.169) 7.943 4.695 ( 0.451 1.756 0.721) 1.952 4.769 ( 2.103 2.083 1.439) 3.291 4.857 ( -2.194 2.395 -1.174) 3.454 4.917 ( 0.536 -7.451 1.408) 7.601 4.978 ( -3.983 -5.883 0.327) 7.112 5.057 ( -4.199 2.119 -0.103) 4.705 5.075 ( -0.055 -2.849 -2.266) 3.641 5.216 ( -2.989 -5.310 -3.547) 7.051 5.226 ( 0.234 -0.642 0.550) 0.877 5.273 ( 0.999 0.400 -2.886) 3.081 5.363 ( -1.317 -5.075 4.600) 6.975 5.429 ( -1.942 -4.687 0.242) 5.079 5.620 ( 2.478 3.726 -5.051) 6.748 5.884 ( 3.497 3.975 1.700) 5.560 6.005 ( 2.087 -6.277 9.126) 11.271 6.040 ( 0.201 7.770 1.796) 7.978 6.117 ( 3.248 -7.825 3.822) 9.295 6.264 ( -0.252 -2.819 0.456) 2.867 6.315 ( 2.824 -3.017 2.574) 4.869 6.390 ( -0.346 -0.762 -3.864) 3.953 6.495 ( 5.704 -0.314 2.363) 6.182 6.538 ( 2.178 -1.776 -1.680) 3.274 6.620 ( -2.645 -2.776 -0.632) 3.886 6.682 ( 3.364 -4.486 6.801) 8.814 6.911 ( 1.736 2.281 3.711) 4.690 7.112 ( 1.998 -4.352 0.372) 4.803 7.206 ( 6.349 -5.411 -3.196) 8.934 7.240 ( -3.709 -0.715 -4.728) 6.051 7.286 ( -2.693 -1.022 0.469) 2.918 7.397 ( 3.592 -2.675 -2.188) 4.985 7.473 ( -3.892 2.785 -0.284) 4.794 7.542 ( -0.634 5.121 0.495) 5.184 7.599 ( -3.719 -0.842 -3.738) 5.339 7.783 ( 0.993 0.293 -1.882) 2.148 7.925 ( -3.293 5.326 3.578) 7.212 7.982 ( -1.570 -0.288 -4.603) 4.872 8.083 ( 0.773 -0.600 1.491) 1.784 8.168 ( 3.488 -2.110 3.526) 5.390 8.280 ( 1.743 0.970 2.085) 2.886 8.306 ( 1.141 0.928 2.065) 2.536 8.411 ( 1.854 4.672 -0.058) 5.026 8.519 ( 0.053 1.083 1.905) 2.192 8.598 ( 2.078 1.649 3.784) 4.621 8.648 ( -4.542 6.223 4.073) 8.715 8.890 ( 1.096 -7.730 0.623) 7.832 8.943 ( -1.080 -8.583 0.378) 8.659 9.177 ( -1.290 1.695 -3.298) 3.926 9.265 ( 1.204 -1.380 -0.882) 2.033 9.404 ( -4.181 0.366 -3.159) 5.253 9.465 ( -1.678 -1.789 -4.742) 5.339 9.611 ( -1.582 2.582 -1.400) 3.335 9.671 ( 2.202 0.108 -4.967) 5.434 9.784 ( -1.591 -0.370 -0.371) 1.675 9.830 ( 0.521 -2.653 -1.827) 3.263 9.970 ( 1.184 1.013 -1.296) 2.027 9.999 ( -0.718 -0.787 -3.490) 3.649 10.170 ( -1.642 -1.912 7.496) 7.909 10.227 ( 0.859 -1.897 5.323) 5.716 10.398 ( -0.252 3.233 -1.105) 3.425 10.517 ( -0.032 -1.593 -2.893) 3.303 10.567 ( 3.038 -1.067 -0.345) 3.239 10.592 ( 2.185 -2.834 -1.589) 3.915 10.954 ( -0.535 5.655 1.138) 5.793 11.034 ( -1.211 6.118 2.592) 6.754 11.186 ( 0.267 2.302 -2.247) 3.228 11.279 ( -1.700 -0.552 3.466) 3.899 11.343 ( 3.122 -3.981 5.772) 7.675 11.459 ( 3.852 7.050 -4.277) 9.101 11.635 ( -2.665 0.459 0.248) 2.716 11.646 ( 2.693 -4.250 -0.120) 5.032 12.055 ( 1.123 -5.941 1.586) 6.251 12.136 ( -4.046 5.015 -0.294) 6.450 12.164 ( -3.989 -9.235 3.889) 10.785 12.299 ( -0.157 -1.619 -4.349) 4.643 12.494 ( 0.967 2.211 0.159) 2.419 12.537 ( 1.316 -0.017 -3.320) 3.571 12.647 ( 0.444 1.309 -1.364) 1.942 12.728 ( 0.837 -2.055 -0.161) 2.224 13.177 ( -1.233 2.470 -4.758) 5.501 13.234 ( 1.977 -0.249 -5.942) 6.268 13.315 ( 0.506 3.732 2.006) 4.267 13.410 ( -1.943 -0.193 1.538) 2.486 13.574 ( 4.410 4.843 7.288) 9.799 13.617 ( 2.861 3.103 5.620) 7.028 14.229 ( -4.659 6.868 -10.813) 13.631 14.293 ( -3.735 -0.210 -6.192) 7.234 14.489 ( 4.581 3.680 0.611) 5.908 14.656 ( -4.871 0.136 -4.286) 6.490 14.788 ( 5.874 -2.225 1.808) 6.536 14.885 ( 0.271 -3.217 -0.374) 3.250 15.344 ( -0.602 0.703 -0.439) 1.024 15.355 ( -0.876 -0.275 0.358) 0.985 15.539 ( 0.809 1.880 4.629) 5.061 15.584 ( 2.066 0.240 5.157) 5.561 15.631 ( -3.095 -1.507 6.053) 6.963 15.779 ( -1.371 -8.202 1.360) 8.427 16.265 ( -0.945 3.004 -1.182) 3.364 16.420 ( 1.139 -4.407 -2.712) 5.299 16.869 ( -1.016 4.278 0.060) 4.397 16.912 ( 0.535 1.591 -0.204) 1.691 17.627 ( -0.136 0.777 0.287) 0.839 17.680 ( 0.192 -1.443 -0.425) 1.517 20.906 ( 0.395 1.904 1.054) 2.212 21.003 ( 1.229 -1.348 -0.670) 1.943 21.083 ( -1.581 0.719 1.709) 2.437 21.238 ( 0.834 -5.217 -1.120) 5.400 21.990 ( -0.829 2.880 -0.637) 3.063 22.026 ( -0.140 5.095 0.674) 5.141 22.139 ( 0.271 1.380 -3.044) 3.354 22.184 ( 0.793 1.991 -4.672) 5.140 22.234 ( -1.237 -0.280 0.800) 1.500 22.323 ( 0.072 -5.034 0.858) 5.107 22.611 ( -0.839 -1.494 3.736) 4.110 22.681 ( -0.434 -3.399 1.535) 3.755 22.958 ( 1.044 3.389 -5.372) 6.437 23.019 ( 0.877 -0.024 3.115) 3.236 23.086 ( 2.738 -0.359 -0.142) 2.765 23.158 ( 5.434 -0.978 -8.340) 10.002 23.383 ( -3.561 -2.169 -0.066) 4.170 23.401 ( -8.445 -4.393 -0.588) 9.537 23.853 ( -1.489 -1.844 4.404) 5.002 23.897 ( -2.597 -3.072 3.428) 5.285 24.123 ( 0.309 0.627 -0.603) 0.923 24.178 ( 1.689 2.049 -1.438) 3.020 24.229 ( 1.091 0.596 -0.431) 1.316 24.274 ( 1.557 1.304 -3.059) 3.672 24.503 ( -3.529 3.854 1.658) 5.482 24.593 ( 0.138 -0.533 1.863) 1.942 24.682 ( -0.730 3.081 -1.117) 3.357 24.701 ( 1.035 1.544 -0.121) 1.862 24.766 ( 2.382 3.343 1.648) 4.423 24.898 ( 0.200 0.453 -2.417) 2.467 25.041 ( 0.652 1.598 7.739) 7.929 25.331 ( 0.506 -7.918 -1.267) 8.035 ======================= Grid point 62 (30/80) ======================= q-point: ( 0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 2.689 18.445 7.698) 20.168 1.214 ( -0.513 12.678 9.123) 15.628 1.579 ( -3.412 4.123 -2.806) 6.043 1.824 ( -1.991 0.485 -3.290) 3.876 1.925 ( 3.090 -6.407 -0.853) 7.164 2.065 ( -9.566 4.174 0.701) 10.460 2.149 ( -0.760 -2.207 5.569) 6.039 2.241 ( -0.439 -3.250 -8.260) 8.887 2.363 ( 4.881 3.436 -3.555) 6.948 2.414 ( 2.248 3.531 -5.423) 6.850 2.437 ( -1.555 -0.790 -3.832) 4.210 2.589 ( 2.210 3.268 -1.730) 4.308 2.618 ( -2.545 1.821 -1.358) 3.411 2.682 ( -1.794 1.987 1.535) 3.086 2.757 ( 4.910 3.015 -1.347) 5.918 2.775 ( 7.006 0.627 5.670) 9.034 2.867 ( 4.137 1.567 -4.480) 6.295 2.970 ( -3.087 -2.512 1.986) 4.448 3.021 ( 3.035 -2.691 -3.286) 5.220 3.086 ( -3.346 -1.984 -0.526) 3.926 3.110 ( 3.425 -4.000 -1.127) 5.386 3.154 ( 3.221 -1.139 -7.816) 8.530 3.210 ( 0.244 -2.676 1.625) 3.140 3.297 ( -2.752 -3.284 0.272) 4.293 3.367 ( 4.253 -2.969 3.161) 6.074 3.432 ( 1.915 2.194 2.807) 4.045 3.444 ( 1.507 -4.712 7.163) 8.706 3.598 ( -2.419 1.483 0.495) 2.880 3.628 ( -0.426 1.251 1.608) 2.081 3.767 ( 0.600 2.191 3.918) 4.529 3.834 ( 2.452 3.793 1.217) 4.677 3.864 ( 7.152 -1.293 2.104) 7.566 3.903 ( 4.441 -2.850 1.050) 5.381 3.968 ( 3.189 3.459 -1.548) 4.953 4.006 ( -4.149 2.884 0.548) 5.083 4.054 ( -0.531 1.085 1.632) 2.031 4.117 ( -3.410 3.611 0.536) 4.995 4.168 ( 0.497 5.534 -2.700) 6.178 4.230 ( -1.786 1.718 0.632) 2.558 4.296 ( 1.258 1.858 -4.101) 4.674 4.317 ( 0.429 8.543 -1.711) 8.723 4.445 ( -0.539 4.687 2.011) 5.129 4.479 ( 1.168 2.406 -1.406) 3.022 4.544 ( 1.212 2.323 1.848) 3.206 4.569 ( 0.980 4.668 -2.921) 5.593 4.717 ( -6.001 -1.465 0.959) 6.252 4.736 ( -0.627 2.432 4.283) 4.965 4.784 ( 0.273 -5.795 1.071) 5.899 4.809 ( 2.042 0.429 -2.835) 3.520 4.874 ( 1.773 -2.007 -1.326) 2.988 4.906 ( 0.369 0.033 -0.911) 0.984 5.037 ( 1.297 -3.683 1.406) 4.150 5.077 ( 2.960 5.099 -4.501) 7.417 5.112 ( -3.121 -0.670 -2.092) 3.817 5.257 ( 1.030 -3.901 -2.829) 4.927 5.290 ( -0.314 -0.966 3.642) 3.781 5.397 ( -1.735 -4.130 0.991) 4.588 5.426 ( 1.947 -4.475 4.818) 6.858 5.610 ( 1.808 6.043 -3.181) 7.065 5.928 ( -1.447 6.478 0.474) 6.654 6.046 ( -0.533 2.589 1.848) 3.225 6.103 ( -5.444 -0.355 7.475) 9.254 6.175 ( -2.763 -3.538 0.780) 4.556 6.211 ( 0.380 -2.722 -3.860) 4.739 6.252 ( -5.695 2.902 0.530) 6.413 6.368 ( -1.673 -6.780 2.848) 7.542 6.479 ( -5.552 -1.320 -0.026) 5.707 6.569 ( -0.760 -5.658 -2.387) 6.187 6.657 ( 5.432 -2.714 2.416) 6.535 6.840 ( 2.544 -10.598 7.966) 13.500 6.978 ( 0.260 0.856 2.648) 2.795 7.038 ( -6.477 -1.014 -9.746) 11.746 7.152 ( -1.152 -0.542 1.871) 2.263 7.214 ( -1.653 -6.535 -2.577) 7.217 7.292 ( 1.378 -0.335 -0.200) 1.432 7.411 ( 5.586 -4.403 -3.244) 7.817 7.481 ( 3.106 3.382 -2.627) 5.290 7.515 ( 0.866 3.457 4.201) 5.509 7.649 ( 5.832 0.580 -3.042) 6.603 7.755 ( 0.279 -3.485 -1.493) 3.801 7.867 ( -3.348 6.054 -0.665) 6.950 7.962 ( 1.287 6.258 0.095) 6.389 8.114 ( 0.690 -2.455 2.116) 3.313 8.264 ( 1.199 -5.603 1.622) 5.955 8.330 ( -0.862 2.979 3.205) 4.460 8.339 ( 1.616 -0.451 0.686) 1.813 8.443 ( 3.025 1.321 -1.787) 3.754 8.578 ( 4.117 -1.974 -0.418) 4.585 8.637 ( -1.606 7.993 6.690) 10.546 8.681 ( 1.694 3.861 5.221) 6.711 8.906 ( 0.695 -5.320 0.731) 5.414 8.981 ( 2.925 -6.998 0.519) 7.603 9.121 ( -1.675 1.672 -0.284) 2.384 9.255 ( -1.063 -3.995 -0.215) 4.139 9.297 ( -1.338 1.841 -5.976) 6.394 9.384 ( -0.331 -1.222 -6.314) 6.440 9.570 ( -1.327 1.686 -0.723) 2.264 9.667 ( 2.223 -0.499 -3.851) 4.475 9.756 ( -1.140 -0.212 0.230) 1.182 9.824 ( -0.152 -2.977 -0.160) 2.985 9.980 ( 2.324 0.440 -2.527) 3.462 9.988 ( 2.518 0.453 -1.497) 2.964 10.223 ( -0.430 -0.975 5.796) 5.893 10.288 ( 0.658 -3.641 3.235) 4.915 10.390 ( 0.104 2.428 -0.188) 2.438 10.447 ( -4.222 -2.911 -2.400) 5.662 10.540 ( -2.867 2.329 -2.502) 4.461 10.655 ( 3.933 -0.625 -0.438) 4.006 10.912 ( -4.633 2.374 0.020) 5.206 11.002 ( -4.991 2.933 1.678) 6.028 11.117 ( -5.182 4.201 0.231) 6.675 11.227 ( -8.813 1.109 2.831) 9.323 11.410 ( -0.128 -0.774 0.951) 1.233 11.503 ( 3.435 1.957 0.002) 3.953 11.590 ( -2.269 4.777 1.134) 5.409 11.668 ( 0.819 -6.078 -0.820) 6.187 11.989 ( -7.545 1.234 -1.726) 7.837 12.092 ( -1.284 -3.158 4.015) 5.267 12.199 ( 2.641 -5.284 -0.538) 5.932 12.286 ( 2.690 -6.302 -1.291) 6.972 12.472 ( -3.057 1.985 0.295) 3.657 12.539 ( 0.946 0.679 -2.053) 2.360 12.656 ( 4.432 3.461 -0.861) 5.689 12.801 ( 4.507 -2.731 -1.764) 5.557 13.098 ( -1.154 2.789 -3.534) 4.648 13.186 ( 1.024 -1.259 -5.161) 5.410 13.377 ( 2.221 2.332 2.623) 4.154 13.426 ( 0.889 0.453 2.701) 2.880 13.717 ( 4.329 7.324 4.649) 9.695 13.787 ( 5.884 3.820 9.335) 11.677 14.059 ( -0.065 8.369 -9.348) 12.547 14.133 ( -4.940 1.266 -7.137) 8.772 14.526 ( -5.487 1.430 -3.674) 6.756 14.570 ( 2.463 -0.847 0.981) 2.783 14.818 ( -2.762 -0.004 -2.028) 3.427 14.933 ( 4.750 -5.934 -1.371) 7.724 15.370 ( 3.336 1.437 0.922) 3.747 15.377 ( 3.699 0.983 -0.953) 3.944 15.578 ( -2.516 -0.408 6.328) 6.822 15.652 ( -0.775 0.173 4.255) 4.328 15.688 ( 2.873 -3.285 4.537) 6.295 15.772 ( -0.964 -7.357 1.134) 7.506 16.232 ( -0.920 4.051 -1.739) 4.504 16.414 ( 1.429 -4.739 -2.676) 5.626 16.851 ( -1.121 5.249 0.242) 5.373 16.919 ( 0.606 1.259 -0.342) 1.438 17.627 ( -0.243 0.564 0.394) 0.730 17.676 ( -0.033 -1.423 -0.493) 1.506 20.937 ( 1.471 2.255 1.453) 3.060 21.020 ( 1.807 0.602 -1.616) 2.498 21.084 ( -0.667 -0.145 2.479) 2.571 21.267 ( 3.729 -7.501 -1.595) 8.527 21.973 ( -0.628 2.133 -0.129) 2.227 22.015 ( -0.883 3.907 -0.554) 4.044 22.131 ( 0.959 2.380 -1.432) 2.938 22.150 ( 0.917 2.056 -3.966) 4.561 22.228 ( -0.485 -0.231 1.884) 1.959 22.320 ( -0.509 -1.310 -0.906) 1.672 22.635 ( -0.582 -2.820 2.418) 3.760 22.703 ( 0.810 -5.143 2.014) 5.582 22.916 ( 1.285 2.848 -5.832) 6.616 23.034 ( 0.130 -2.298 -4.508) 5.062 23.146 ( 2.166 0.290 0.901) 2.364 23.178 ( 2.614 -0.400 1.060) 2.849 23.251 ( -6.543 -1.849 2.506) 7.246 23.317 ( -3.076 -2.861 -2.174) 4.730 23.855 ( -2.908 -1.079 3.039) 4.342 23.896 ( -1.747 -3.037 3.561) 4.996 24.122 ( 0.416 1.323 -0.242) 1.407 24.189 ( 1.836 -1.050 -2.333) 3.150 24.250 ( 1.790 2.880 -1.877) 3.876 24.271 ( 0.799 1.437 -1.009) 1.929 24.480 ( -2.575 5.715 3.989) 7.430 24.613 ( 0.180 0.026 1.579) 1.590 24.659 ( -0.460 4.200 -1.195) 4.391 24.723 ( 1.516 0.531 -0.072) 1.608 24.799 ( 0.599 2.651 -0.560) 2.775 24.868 ( -0.693 3.479 -1.939) 4.043 25.099 ( -2.347 -3.388 5.869) 7.172 25.307 ( -1.536 -7.622 -1.320) 7.886 ======================= Grid point 63 (31/80) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 0.277 7.740 8.311) 11.361 1.293 ( 8.959 4.735 13.407) 16.806 1.547 ( -2.528 2.181 -5.219) 6.195 1.770 ( -0.502 9.993 1.322) 10.093 1.898 ( -4.489 6.510 0.733) 7.941 2.021 ( 7.092 -5.341 -1.731) 9.046 2.114 ( -2.861 4.732 -0.201) 5.534 2.192 ( -7.897 1.746 -2.100) 8.356 2.304 ( 1.294 1.677 -4.871) 5.312 2.396 ( 0.418 0.665 0.412) 0.887 2.421 ( 3.040 -5.000 -2.010) 6.187 2.537 ( -5.436 2.521 2.333) 6.431 2.618 ( 3.021 -1.548 -1.308) 3.638 2.674 ( 1.200 -1.460 -2.842) 3.413 2.810 ( 1.153 -1.424 -0.633) 1.939 2.838 ( 2.423 -1.442 -0.402) 2.848 2.892 ( -3.738 -3.081 0.634) 4.885 3.001 ( 4.971 -2.233 -4.558) 7.104 3.067 ( 3.795 -6.444 -4.434) 8.694 3.090 ( 1.398 0.248 4.737) 4.945 3.177 ( 6.889 -2.349 -3.198) 7.949 3.214 ( 6.040 2.134 1.609) 6.604 3.262 ( 6.475 0.210 0.700) 6.517 3.298 ( 0.347 -2.151 2.891) 3.620 3.449 ( 0.826 0.594 5.601) 5.693 3.494 ( 2.103 -2.864 0.871) 3.659 3.535 ( -1.612 1.768 5.048) 5.586 3.573 ( -0.484 -3.654 0.555) 3.728 3.642 ( 0.035 5.315 2.468) 5.860 3.778 ( -0.244 7.271 -0.842) 7.323 3.843 ( -4.416 3.350 -1.036) 5.639 3.849 ( -3.378 -0.163 -1.901) 3.879 3.944 ( -0.634 -1.322 -0.398) 1.519 3.973 ( 0.647 -3.529 -6.238) 7.196 4.003 ( 0.059 3.173 0.490) 3.211 4.018 ( 2.567 2.246 0.438) 3.438 4.119 ( 1.079 5.972 3.491) 7.001 4.219 ( 2.812 -0.123 -0.267) 2.827 4.228 ( -5.479 5.124 3.545) 8.297 4.286 ( 2.096 3.580 1.986) 4.599 4.367 ( 1.514 -1.114 1.175) 2.217 4.444 ( 1.190 9.301 1.820) 9.552 4.454 ( -2.712 -0.104 -0.993) 2.889 4.539 ( -0.299 0.426 0.475) 0.704 4.568 ( -0.913 2.578 -0.197) 2.742 4.647 ( 2.081 -2.166 -3.567) 4.664 4.725 ( 0.707 1.669 0.236) 1.828 4.804 ( 4.022 0.019 2.337) 4.652 4.850 ( 0.489 -1.141 -6.778) 6.891 4.950 ( 1.300 -0.723 3.669) 3.959 4.974 ( 1.802 -1.870 0.084) 2.598 5.009 ( -0.431 1.395 1.812) 2.327 5.071 ( 1.046 5.598 0.341) 5.705 5.139 ( 3.861 1.832 0.367) 4.290 5.241 ( 0.622 -5.812 -1.517) 6.038 5.309 ( -0.812 -1.250 2.519) 2.927 5.393 ( 0.918 -3.525 -0.712) 3.711 5.505 ( 1.450 -6.899 3.973) 8.092 5.614 ( 0.334 13.487 -1.063) 13.533 5.837 ( -6.438 6.250 -0.735) 9.003 5.970 ( -9.466 1.023 -0.691) 9.546 6.021 ( -1.864 0.623 -3.746) 4.230 6.084 ( -9.868 1.386 1.146) 10.030 6.135 ( 1.046 4.096 -3.158) 5.277 6.299 ( 3.911 -5.108 1.001) 6.510 6.355 ( -6.066 -1.400 2.038) 6.551 6.398 ( -0.029 -11.351 -0.814) 11.381 6.529 ( -2.131 -6.370 -0.757) 6.759 6.732 ( 1.918 -3.359 -0.193) 3.873 6.824 ( -4.281 -1.554 -10.014) 11.001 6.916 ( -5.625 -4.661 -1.746) 7.511 6.930 ( 0.608 -9.862 3.317) 10.422 7.147 ( -1.312 0.146 1.628) 2.096 7.221 ( 4.038 -1.329 -0.030) 4.251 7.325 ( 2.451 0.310 -0.335) 2.493 7.440 ( 2.087 1.275 -4.044) 4.726 7.558 ( 2.723 -4.286 0.560) 5.108 7.588 ( 3.408 4.561 2.315) 6.147 7.645 ( 0.621 1.781 -2.720) 3.311 7.805 ( 1.409 2.091 -0.378) 2.550 7.850 ( 2.966 3.414 2.633) 5.233 7.999 ( 1.892 3.334 0.821) 3.920 8.124 ( -2.828 -4.701 1.244) 5.626 8.210 ( -4.079 -5.974 -1.671) 7.424 8.345 ( 0.125 3.698 0.575) 3.744 8.377 ( 1.054 -0.659 1.495) 1.944 8.472 ( 2.662 3.443 -1.581) 4.630 8.597 ( 1.154 0.125 -2.945) 3.165 8.712 ( 1.080 5.732 5.347) 7.913 8.780 ( 3.665 2.882 3.099) 5.598 8.927 ( 0.852 -1.800 0.434) 2.039 9.008 ( -0.275 -4.336 -1.160) 4.497 9.081 ( -4.147 -0.443 1.276) 4.362 9.214 ( -1.538 -5.110 -2.424) 5.861 9.294 ( 4.086 1.080 0.933) 4.328 9.381 ( 2.759 -1.860 1.006) 3.476 9.562 ( 1.154 2.143 -0.191) 2.441 9.672 ( 2.878 -0.396 -3.468) 4.524 9.740 ( -1.814 -0.087 1.294) 2.230 9.826 ( -0.830 -3.622 2.054) 4.245 10.006 ( 2.984 0.922 -1.640) 3.528 10.040 ( 5.215 -0.549 -1.529) 5.462 10.251 ( -1.305 -0.265 0.633) 1.475 10.317 ( -0.082 -3.094 1.707) 3.535 10.339 ( -5.970 -1.654 -0.846) 6.252 10.378 ( -2.485 -3.567 0.764) 4.414 10.477 ( 0.465 8.316 -1.880) 8.539 10.694 ( 1.934 -1.316 -1.625) 2.849 10.843 ( -2.075 -0.151 -0.889) 2.262 10.893 ( -7.104 -1.479 -0.187) 7.259 11.032 ( -6.392 4.647 -1.058) 7.973 11.087 ( -6.661 4.515 1.106) 8.123 11.383 ( -1.860 3.327 -0.634) 3.864 11.560 ( 1.637 -4.445 0.239) 4.743 11.586 ( 0.146 2.275 0.239) 2.293 11.658 ( -0.714 -4.827 -0.621) 4.919 11.878 ( -2.126 4.209 -1.556) 4.966 12.078 ( -4.529 5.496 3.273) 7.837 12.242 ( 2.682 -11.478 -0.691) 11.808 12.348 ( 2.507 -5.395 2.162) 6.330 12.417 ( -2.460 0.867 1.221) 2.880 12.544 ( -0.106 -1.327 0.371) 1.382 12.724 ( 4.623 1.920 -1.917) 5.360 12.814 ( -0.008 -3.610 -1.490) 3.905 13.084 ( 3.011 4.571 -3.016) 6.249 13.194 ( 4.381 -0.866 -3.725) 5.815 13.396 ( -1.286 3.242 -0.264) 3.497 13.478 ( 0.205 0.048 3.380) 3.387 13.779 ( 0.532 9.038 -0.357) 9.061 13.948 ( 0.334 -0.001 0.886) 0.947 13.990 ( 2.377 8.960 -1.756) 9.435 14.108 ( 6.137 3.548 1.046) 7.166 14.406 ( -4.431 2.503 -1.925) 5.441 14.572 ( -1.739 -4.394 0.079) 4.726 14.771 ( -0.236 2.814 -0.406) 2.853 14.966 ( 1.445 -5.850 -0.724) 6.069 15.417 ( 2.659 1.603 -2.173) 3.790 15.447 ( 3.302 0.513 -0.607) 3.396 15.602 ( -1.217 1.021 4.435) 4.711 15.659 ( -2.249 -1.405 2.713) 3.793 15.751 ( -1.792 -8.624 3.013) 9.309 15.780 ( 1.871 -4.058 0.048) 4.469 16.208 ( -0.131 4.518 -0.503) 4.547 16.415 ( 1.524 -5.499 -1.947) 6.029 16.840 ( -0.664 5.871 0.636) 5.942 16.926 ( 0.479 1.276 -0.317) 1.400 17.627 ( -0.307 0.380 0.419) 0.644 17.671 ( 0.027 -1.354 -0.474) 1.435 20.972 ( 0.804 2.398 0.802) 2.653 21.029 ( 1.595 1.994 -2.226) 3.387 21.105 ( -0.431 -0.506 2.749) 2.828 21.314 ( 3.539 -9.550 -2.116) 10.402 21.965 ( -0.353 2.166 0.250) 2.209 22.000 ( -0.376 3.599 0.309) 3.632 22.133 ( 0.664 1.437 -0.668) 1.718 22.140 ( 1.627 2.086 -2.300) 3.505 22.255 ( -0.439 -1.389 3.056) 3.385 22.300 ( 0.389 1.723 -0.807) 1.942 22.632 ( -0.803 -2.779 -0.441) 2.926 22.735 ( -0.295 -5.858 2.318) 6.307 22.894 ( 2.033 2.318 -3.634) 4.765 22.976 ( 0.707 -1.572 -4.862) 5.159 23.105 ( -2.335 2.486 -3.693) 5.027 23.213 ( -3.165 -2.283 -1.143) 4.066 23.269 ( 2.216 -1.239 5.272) 5.852 23.312 ( 0.829 -3.294 7.915) 8.613 23.828 ( -2.600 -0.458 1.489) 3.031 23.895 ( -2.321 -3.978 2.852) 5.417 24.127 ( 0.460 1.695 -0.886) 1.967 24.198 ( 1.792 -1.435 -1.562) 2.777 24.236 ( 0.963 3.463 -4.114) 5.463 24.284 ( 0.778 1.073 -0.341) 1.369 24.488 ( -2.252 5.471 5.185) 7.867 24.627 ( -0.195 0.052 0.520) 0.557 24.649 ( 0.680 6.683 -0.610) 6.745 24.743 ( 1.132 -0.140 -0.809) 1.398 24.777 ( -1.109 -0.418 -1.711) 2.081 24.850 ( 0.424 6.003 -1.009) 6.102 25.088 ( -3.827 -4.473 2.907) 6.566 25.265 ( -1.365 -6.890 -1.276) 7.139 ======================= Grid point 64 (32/80) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -12.447 7.075 3.242) 14.680 1.446 ( -3.430 0.342 14.005) 14.423 1.588 ( 11.410 7.551 3.035) 14.014 1.792 ( 4.442 8.354 -6.025) 11.217 1.911 ( -2.970 0.048 8.320) 8.835 1.951 ( -8.499 7.599 -1.425) 11.490 2.149 ( 9.528 5.472 1.510) 11.091 2.169 ( 2.424 -0.678 0.560) 2.579 2.338 ( 4.026 -2.605 -1.664) 5.076 2.409 ( -0.932 1.816 1.326) 2.434 2.469 ( -1.975 0.379 4.528) 4.954 2.486 ( 0.254 -3.334 1.938) 3.865 2.657 ( 6.042 -1.538 -5.959) 8.624 2.715 ( 3.538 -3.174 0.792) 4.818 2.779 ( -3.817 -2.472 0.802) 4.618 2.809 ( -1.976 -1.753 -4.372) 5.108 2.912 ( 3.005 -0.336 0.596) 3.082 2.973 ( -0.661 -0.186 -1.890) 2.011 3.104 ( 2.752 -5.160 -1.422) 6.019 3.164 ( 2.362 -4.473 -0.220) 5.063 3.191 ( 0.208 1.580 -1.212) 2.002 3.274 ( -5.774 2.592 2.741) 6.897 3.342 ( 0.757 -3.577 1.056) 3.805 3.383 ( -2.594 1.942 3.384) 4.685 3.416 ( 2.404 0.650 0.543) 2.549 3.526 ( -1.510 -3.569 2.587) 4.660 3.540 ( -6.244 0.575 4.656) 7.810 3.581 ( -1.069 1.373 1.108) 2.063 3.663 ( -0.560 1.042 -1.089) 1.608 3.726 ( -0.294 3.615 -3.375) 4.954 3.753 ( -1.097 0.344 -1.246) 1.695 3.808 ( -2.787 2.580 -3.589) 5.225 3.900 ( 0.844 1.646 -0.885) 2.050 3.962 ( 3.510 -3.868 -2.340) 5.723 4.035 ( 0.369 7.091 -1.196) 7.200 4.066 ( -0.586 5.205 2.676) 5.882 4.112 ( -0.972 6.396 2.586) 6.967 4.186 ( -0.568 3.185 5.157) 6.087 4.255 ( -1.773 1.062 3.906) 4.419 4.307 ( -1.508 2.459 -2.445) 3.781 4.364 ( 0.663 -1.006 -1.998) 2.333 4.471 ( 1.589 2.421 2.566) 3.869 4.509 ( 1.040 3.451 0.254) 3.613 4.521 ( -1.097 1.370 0.696) 1.888 4.542 ( -1.198 2.729 -0.223) 2.988 4.668 ( -0.067 0.083 -2.383) 2.385 4.764 ( 0.616 3.109 2.167) 3.839 4.777 ( 4.849 1.434 -3.389) 6.087 4.883 ( -0.652 2.248 3.057) 3.850 4.944 ( -0.445 -1.319 -0.053) 1.393 4.998 ( 2.556 -1.236 -1.777) 3.349 5.028 ( -2.413 -1.933 2.443) 3.940 5.114 ( -0.271 3.689 2.613) 4.529 5.191 ( 0.667 -4.209 1.963) 4.692 5.260 ( 0.188 -5.757 1.448) 5.939 5.328 ( 1.123 0.309 3.272) 3.473 5.383 ( 0.139 -1.396 -3.321) 3.605 5.556 ( -3.173 -10.487 3.172) 11.406 5.582 ( -0.111 12.077 -2.307) 12.296 5.758 ( -0.369 5.679 -0.016) 5.691 5.881 ( 0.432 1.729 -1.051) 2.068 5.914 ( -0.716 5.889 -7.940) 9.912 6.013 ( -0.297 -2.956 0.825) 3.084 6.075 ( -1.283 3.082 -6.904) 7.669 6.291 ( -1.707 -1.612 -1.559) 2.818 6.362 ( -2.855 -8.702 -1.004) 9.213 6.391 ( 2.955 -8.518 2.654) 9.398 6.487 ( 0.545 -6.529 -2.322) 6.951 6.675 ( -1.710 -3.074 -8.570) 9.264 6.716 ( -0.060 -3.938 -4.499) 5.979 6.833 ( 0.716 -2.688 -4.393) 5.200 6.985 ( 1.794 -5.449 1.850) 6.028 7.154 ( 0.766 0.991 2.907) 3.165 7.298 ( 0.776 -1.933 1.740) 2.714 7.350 ( 1.030 0.748 -0.452) 1.351 7.417 ( -0.232 6.968 -1.727) 7.183 7.557 ( -0.927 -5.428 -1.910) 5.828 7.620 ( -0.247 -0.641 -1.970) 2.086 7.659 ( 1.496 4.109 0.874) 4.459 7.840 ( 2.217 4.540 3.203) 5.982 7.941 ( 1.552 1.770 4.136) 4.759 7.998 ( -1.618 -3.244 -4.078) 5.457 8.065 ( -3.960 0.907 2.439) 4.739 8.167 ( 0.716 -7.995 -0.183) 8.030 8.347 ( -0.836 3.414 -0.490) 3.549 8.412 ( 1.523 1.837 2.134) 3.201 8.487 ( 0.696 3.834 -2.917) 4.868 8.578 ( -0.627 3.564 -1.930) 4.102 8.746 ( -2.262 3.288 2.161) 4.539 8.791 ( -4.732 1.832 -0.530) 5.102 8.911 ( -1.006 -4.120 -3.072) 5.237 8.999 ( 3.378 2.488 -0.735) 4.259 9.049 ( -2.733 -5.345 3.496) 6.946 9.210 ( 1.909 -5.241 0.097) 5.579 9.386 ( 1.742 0.947 5.115) 5.486 9.434 ( 0.595 -1.005 3.276) 3.477 9.597 ( 1.267 3.152 1.481) 3.706 9.693 ( 3.441 -0.357 -2.663) 4.366 9.732 ( -1.033 -0.032 2.072) 2.315 9.831 ( -1.506 -4.577 2.782) 5.564 10.042 ( 1.581 0.551 0.150) 1.681 10.099 ( 2.382 -1.498 -2.666) 3.876 10.204 ( -0.080 -1.273 -3.658) 3.874 10.225 ( -4.114 -1.232 -1.758) 4.640 10.328 ( -0.428 -1.699 1.550) 2.339 10.391 ( 0.991 -0.833 3.198) 3.450 10.494 ( 1.878 4.850 -0.531) 5.228 10.695 ( 1.073 -2.468 -2.420) 3.619 10.796 ( -2.494 -0.832 -1.541) 3.047 10.823 ( -0.738 -0.088 -1.198) 1.410 10.936 ( 1.344 4.329 -2.244) 5.058 11.038 ( 0.076 4.437 -0.992) 4.547 11.363 ( 0.554 3.702 -0.418) 3.767 11.515 ( -2.686 -3.672 -3.796) 5.925 11.600 ( -0.505 -0.290 -0.178) 0.609 11.649 ( 0.682 -4.783 -0.207) 4.836 11.893 ( 2.373 4.287 1.778) 5.213 12.015 ( -3.052 7.117 -0.730) 7.778 12.286 ( 1.535 -10.612 2.657) 11.046 12.382 ( -1.381 -1.259 4.301) 4.690 12.426 ( 0.175 -3.900 0.301) 3.916 12.534 ( -1.372 -3.396 0.841) 3.758 12.783 ( 3.456 0.458 -0.267) 3.497 12.805 ( 0.258 -1.128 -0.499) 1.260 13.117 ( 3.906 4.879 -2.813) 6.854 13.222 ( 3.020 -0.421 -3.763) 4.844 13.346 ( -2.396 3.362 -2.315) 4.733 13.470 ( -4.089 -1.579 1.279) 4.566 13.762 ( -0.685 8.200 -2.346) 8.557 13.858 ( -2.827 3.569 -6.138) 7.642 14.092 ( 2.594 6.284 4.286) 8.037 14.180 ( -0.895 3.677 1.113) 3.945 14.401 ( 4.394 3.153 3.375) 6.375 14.582 ( 1.034 -4.722 2.768) 5.570 14.784 ( 1.301 3.237 1.321) 3.731 14.991 ( 1.380 -5.869 0.892) 6.095 15.412 ( -0.580 1.333 -3.717) 3.991 15.445 ( -0.406 -0.235 -2.014) 2.068 15.610 ( -0.247 2.548 -1.641) 3.041 15.658 ( -2.525 -2.958 5.277) 6.555 15.706 ( -4.370 -6.664 -1.332) 8.080 15.799 ( -0.528 -6.613 1.311) 6.763 16.224 ( 1.194 3.852 1.505) 4.305 16.424 ( 1.396 -5.829 -1.282) 6.129 16.841 ( -0.189 5.948 1.039) 6.041 16.928 ( 0.157 1.346 -0.373) 1.406 17.626 ( -0.283 0.427 0.357) 0.624 17.669 ( 0.319 -1.306 -0.388) 1.400 20.974 ( -0.960 2.141 -0.162) 2.352 21.027 ( 0.863 1.497 -2.162) 2.767 21.117 ( -1.337 -0.174 2.498) 2.839 21.335 ( 1.417 -10.033 -2.270) 10.384 21.967 ( 0.032 2.674 0.655) 2.753 22.009 ( 0.258 3.861 1.230) 4.061 22.143 ( 1.030 1.259 -0.037) 1.627 22.157 ( 1.810 1.834 -0.567) 2.639 22.249 ( -0.906 -1.206 0.216) 1.524 22.335 ( 0.610 -1.267 2.880) 3.205 22.605 ( -0.903 -1.268 -1.375) 2.077 22.735 ( -1.733 -4.082 1.483) 4.675 22.917 ( 4.003 2.737 -1.825) 5.181 22.976 ( 2.910 0.147 -1.955) 3.509 23.036 ( -1.409 1.992 -3.102) 3.946 23.130 ( -1.960 -2.819 -4.671) 5.797 23.366 ( 0.348 -1.224 7.172) 7.284 23.410 ( -0.221 -2.904 9.505) 9.941 23.806 ( -1.165 -0.609 0.817) 1.548 23.881 ( -2.448 -4.565 2.821) 5.898 24.115 ( 0.154 2.650 -2.030) 3.342 24.204 ( 0.891 2.954 -3.592) 4.735 24.224 ( 1.608 -0.399 -1.079) 1.977 24.282 ( 0.303 1.044 -1.787) 2.091 24.501 ( -2.668 4.645 5.359) 7.577 24.616 ( -0.613 3.001 -1.018) 3.227 24.663 ( 0.491 4.182 0.833) 4.293 24.740 ( 0.050 -0.075 -1.557) 1.560 24.754 ( 0.924 -2.095 -1.949) 3.007 24.859 ( 1.285 5.954 -0.287) 6.098 25.037 ( -3.834 -4.112 0.154) 5.624 25.248 ( 1.094 -6.504 -1.163) 6.697 ======================= Grid point 65 (33/80) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -6.542 17.837 11.092) 21.999 1.386 ( -14.441 10.224 4.313) 18.212 1.761 ( 3.217 4.437 6.895) 8.807 1.824 ( 1.913 4.378 0.136) 4.779 1.964 ( 3.528 1.450 4.867) 6.183 2.013 ( 5.973 -1.361 8.075) 10.136 2.130 ( -7.235 -7.148 1.378) 10.264 2.289 ( 2.410 -2.539 -0.430) 3.527 2.389 ( 5.238 -0.530 -6.375) 8.268 2.409 ( 6.206 6.726 -2.910) 9.603 2.480 ( -0.613 -0.494 -2.704) 2.816 2.520 ( 1.262 -1.854 1.740) 2.839 2.643 ( -1.060 -1.761 -10.044) 10.253 2.691 ( -5.053 1.399 -0.126) 5.245 2.742 ( -1.693 2.596 1.778) 3.573 2.765 ( 2.682 2.660 -3.950) 5.466 2.971 ( -1.784 0.858 6.643) 6.932 2.989 ( -8.317 4.923 6.944) 11.900 3.026 ( -2.713 1.671 -3.838) 4.988 3.137 ( -1.913 0.573 -4.819) 5.216 3.176 ( 1.368 -0.213 2.521) 2.876 3.237 ( -1.880 0.321 4.608) 4.988 3.288 ( -4.586 -3.895 -3.474) 6.947 3.328 ( -2.831 -3.714 2.918) 5.507 3.406 ( -2.096 -0.841 -4.380) 4.929 3.489 ( -4.789 -3.193 4.285) 7.176 3.531 ( -4.440 -1.261 2.849) 5.424 3.551 ( 1.608 -3.952 1.358) 4.477 3.616 ( -2.457 2.690 -1.197) 3.835 3.727 ( -0.618 0.162 2.525) 2.604 3.772 ( 2.519 -1.511 -2.377) 3.779 3.800 ( 2.427 1.993 -0.611) 3.199 3.859 ( -3.958 -0.319 -0.830) 4.057 3.989 ( -3.512 8.280 -1.995) 9.212 4.019 ( 3.339 0.653 0.861) 3.510 4.089 ( -2.295 -0.403 -1.155) 2.600 4.132 ( 0.058 7.655 -0.293) 7.661 4.191 ( -3.674 2.296 1.315) 4.528 4.217 ( 3.016 5.881 -0.071) 6.610 4.314 ( 1.041 2.582 0.035) 2.785 4.338 ( 1.833 5.654 -1.000) 6.027 4.473 ( -0.717 7.346 -1.033) 7.453 4.500 ( -0.341 2.891 -0.108) 2.913 4.543 ( 0.637 4.992 2.996) 5.857 4.581 ( 2.652 6.414 1.091) 7.026 4.674 ( 0.217 -0.419 4.070) 4.097 4.760 ( -4.378 0.662 1.610) 4.712 4.800 ( -2.969 0.306 -3.750) 4.793 4.871 ( -5.190 -3.361 2.279) 6.590 4.920 ( 1.852 -2.880 2.861) 4.462 5.001 ( -3.011 -3.847 2.960) 5.712 5.037 ( 1.291 -3.228 -0.248) 3.486 5.167 ( 3.537 0.231 3.875) 5.252 5.216 ( -1.156 -1.647 1.674) 2.617 5.228 ( -2.249 -2.728 -2.113) 4.119 5.361 ( 0.346 -2.797 1.377) 3.137 5.397 ( -1.520 -2.478 4.973) 5.761 5.457 ( -4.975 -8.438 -0.022) 9.795 5.597 ( 3.211 3.635 -1.329) 5.029 5.808 ( 3.736 3.183 -5.146) 7.111 5.867 ( 6.441 5.760 -5.938) 10.485 5.923 ( 5.461 -0.576 -8.508) 10.126 5.972 ( 0.903 1.904 -2.107) 2.980 6.079 ( 1.961 3.290 0.550) 3.869 6.213 ( 1.089 -6.514 -3.740) 7.590 6.350 ( -0.416 -5.987 2.488) 6.497 6.449 ( 0.768 -5.057 -0.972) 5.207 6.512 ( 4.225 -8.180 -1.512) 9.330 6.584 ( 0.617 -2.378 -6.029) 6.510 6.678 ( 0.586 -5.234 -2.885) 6.005 6.849 ( 4.810 1.118 -2.834) 5.694 7.015 ( 2.092 -2.343 -2.416) 3.962 7.237 ( -1.207 0.740 3.142) 3.446 7.245 ( -0.066 2.593 0.450) 2.633 7.353 ( -1.943 6.922 -3.514) 8.003 7.385 ( -1.303 -2.089 0.014) 2.462 7.494 ( -1.876 -2.573 0.018) 3.185 7.653 ( 0.456 -2.130 5.253) 5.686 7.681 ( 3.679 -1.584 -3.427) 5.272 7.856 ( -7.582 -2.518 -2.461) 8.360 7.921 ( -0.491 4.597 5.828) 7.439 8.002 ( 0.378 -0.454 -0.329) 0.676 8.044 ( 0.035 5.003 2.698) 5.684 8.210 ( 2.669 -4.492 0.296) 5.233 8.286 ( -3.733 1.773 -2.941) 5.072 8.393 ( -3.452 -2.925 -5.737) 7.306 8.470 ( 0.060 7.972 0.213) 7.976 8.543 ( -3.229 6.301 2.523) 7.516 8.627 ( -7.211 0.668 -3.180) 7.909 8.731 ( -4.697 2.952 3.525) 6.573 8.881 ( 0.722 -5.481 -2.243) 5.966 9.028 ( -1.913 -8.598 1.109) 8.878 9.098 ( 5.220 1.443 2.222) 5.854 9.230 ( -0.128 -3.323 0.195) 3.331 9.441 ( -0.462 1.603 4.305) 4.617 9.492 ( 1.685 0.081 3.226) 3.641 9.628 ( 0.146 4.082 2.406) 4.740 9.719 ( 0.827 -0.032 -1.639) 1.836 9.740 ( 0.854 -0.838 1.332) 1.791 9.842 ( 0.331 -5.357 1.463) 5.563 10.032 ( -2.714 -0.009 0.089) 2.716 10.087 ( -1.140 -2.493 0.565) 2.799 10.149 ( -1.749 -0.883 -2.610) 3.263 10.191 ( 1.221 -3.545 -3.619) 5.211 10.354 ( 2.006 1.367 0.960) 2.611 10.454 ( 1.961 -2.600 2.775) 4.279 10.522 ( 1.809 5.735 -0.522) 6.036 10.643 ( -2.275 1.062 -4.532) 5.181 10.798 ( 4.216 -0.301 -2.997) 5.182 10.854 ( 7.477 -0.619 0.600) 7.526 11.015 ( 7.718 4.532 -2.921) 9.415 11.070 ( 4.166 4.372 0.964) 6.116 11.376 ( -1.026 -1.510 -0.817) 2.000 11.457 ( 2.852 2.207 -2.753) 4.537 11.552 ( -2.974 0.815 -1.336) 3.361 11.671 ( 0.987 -5.257 -0.093) 5.350 11.931 ( 2.788 1.511 -1.786) 3.639 12.028 ( 1.965 1.647 3.627) 4.441 12.345 ( 1.481 -7.313 3.125) 8.089 12.373 ( -4.166 -6.891 2.848) 8.541 12.433 ( 0.255 0.963 1.793) 2.051 12.514 ( -1.762 -2.161 -0.208) 2.796 12.760 ( -3.859 2.532 -1.065) 4.736 12.847 ( 2.548 -0.113 -0.875) 2.697 13.152 ( 2.959 4.247 -2.101) 5.586 13.233 ( 4.484 -0.492 -5.678) 7.251 13.299 ( -1.155 1.343 1.108) 2.089 13.387 ( -5.238 -1.555 0.163) 5.467 13.700 ( -4.168 6.025 -2.254) 7.665 13.719 ( -6.563 5.130 -4.521) 9.478 14.174 ( 3.129 6.174 2.515) 7.365 14.195 ( 2.958 3.037 2.347) 4.846 14.550 ( 5.873 2.207 4.811) 7.906 14.588 ( -2.154 -0.148 -0.576) 2.235 14.853 ( 2.098 0.573 3.290) 3.945 15.004 ( -1.033 -6.933 -0.967) 7.076 15.341 ( -1.956 0.478 -2.242) 3.013 15.426 ( 0.467 -1.346 -2.523) 2.897 15.555 ( -4.305 -1.290 -2.388) 5.089 15.591 ( -2.853 -1.142 -4.206) 5.209 15.666 ( -4.827 -1.747 6.973) 8.659 15.798 ( -1.476 -7.384 2.017) 7.795 16.263 ( 0.943 2.632 1.702) 3.273 16.432 ( 1.034 -5.403 -1.477) 5.695 16.854 ( 0.242 5.285 1.349) 5.459 16.923 ( -0.158 1.514 -0.591) 1.633 17.625 ( -0.164 0.652 0.293) 0.733 17.673 ( 0.528 -1.330 -0.338) 1.470 20.941 ( -2.089 1.790 -0.461) 2.789 21.015 ( 0.074 -0.074 -1.685) 1.689 21.112 ( -2.051 0.251 2.247) 3.053 21.314 ( -1.090 -8.923 -2.119) 9.235 21.981 ( 0.443 3.476 1.220) 3.710 22.023 ( -0.010 4.561 0.502) 4.588 22.166 ( 1.386 0.762 0.382) 1.627 22.181 ( 1.238 1.507 -0.232) 1.964 22.246 ( 0.158 -0.884 0.006) 0.898 22.345 ( -1.522 -6.382 0.491) 6.580 22.587 ( -1.014 1.187 1.352) 2.065 22.712 ( -2.502 -3.462 1.314) 4.469 22.985 ( 2.879 2.992 -1.265) 4.341 22.989 ( 1.779 2.031 -2.673) 3.799 23.020 ( 3.169 1.778 -1.664) 3.997 23.075 ( 1.907 -1.194 -4.205) 4.769 23.416 ( -1.855 -0.772 5.355) 5.719 23.490 ( -1.261 -3.896 7.428) 8.482 23.809 ( 0.060 -1.437 1.536) 2.104 23.879 ( -2.333 -5.001 5.042) 7.475 24.103 ( 0.815 2.947 -1.553) 3.429 24.180 ( 1.066 5.315 -3.776) 6.606 24.233 ( 0.136 -2.595 -0.408) 2.631 24.271 ( 1.576 2.133 -2.781) 3.843 24.509 ( -2.598 3.907 5.255) 7.045 24.593 ( -0.754 1.877 -0.736) 2.152 24.684 ( 0.358 2.116 1.787) 2.793 24.717 ( -0.544 0.505 -1.680) 1.837 24.756 ( 1.454 -1.769 -3.117) 3.867 24.886 ( 1.911 5.732 0.043) 6.042 24.969 ( -3.074 -1.681 -1.018) 3.648 25.275 ( 3.094 -6.902 -1.184) 7.656 ======================= Grid point 66 (34/80) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -13.110 18.015 9.991) 24.418 1.251 ( -3.708 20.755 11.734) 24.128 1.720 ( -8.758 12.337 0.031) 15.130 1.922 ( 2.424 -0.771 6.956) 7.407 1.979 ( -7.799 -5.367 -1.471) 9.581 2.037 ( 0.467 -0.705 -0.506) 0.986 2.148 ( 0.997 -3.454 2.559) 4.413 2.298 ( 4.845 -3.148 -2.869) 6.450 2.386 ( -0.054 2.180 -6.728) 7.072 2.405 ( 1.697 2.045 -7.451) 7.910 2.487 ( 1.358 1.104 -7.590) 7.789 2.529 ( 2.769 5.018 -0.323) 5.741 2.590 ( 3.832 -1.958 1.232) 4.476 2.641 ( -1.842 -0.806 4.006) 4.483 2.721 ( -0.833 -0.154 -1.860) 2.044 2.783 ( 5.357 -0.590 -3.600) 6.481 2.803 ( -8.704 6.122 3.623) 11.241 2.993 ( -4.270 -0.253 -4.175) 5.978 3.053 ( 0.830 -0.543 4.116) 4.234 3.095 ( 1.558 1.883 -1.521) 2.878 3.138 ( -3.905 -3.188 -1.398) 5.231 3.231 ( -2.755 0.780 3.349) 4.406 3.258 ( -0.442 -0.702 0.750) 1.119 3.309 ( -3.342 -1.810 2.242) 4.413 3.401 ( -2.895 -3.370 6.264) 7.679 3.436 ( -2.076 -0.781 -0.181) 2.225 3.480 ( -1.896 4.678 -1.639) 5.307 3.527 ( -1.618 1.377 -0.072) 2.126 3.614 ( -0.865 -0.438 -0.203) 0.990 3.712 ( -0.889 -9.280 1.423) 9.430 3.773 ( -2.875 -2.034 1.945) 4.023 3.778 ( -0.295 0.827 -4.144) 4.236 3.832 ( -0.910 7.951 -1.164) 8.087 3.911 ( 1.296 1.882 1.495) 2.730 3.965 ( -4.166 0.881 -2.012) 4.709 4.066 ( -1.350 3.022 1.407) 3.596 4.133 ( 0.229 -4.926 -0.410) 4.948 4.209 ( 0.165 9.248 0.633) 9.271 4.316 ( 2.679 5.991 -0.333) 6.571 4.353 ( 5.596 5.531 -0.801) 7.909 4.376 ( 2.454 6.767 -0.694) 7.231 4.431 ( -1.588 3.611 1.345) 4.168 4.490 ( 0.969 8.494 -2.332) 8.861 4.521 ( -6.103 8.023 3.419) 10.644 4.611 ( -5.237 2.440 2.120) 6.154 4.648 ( 1.034 6.016 0.207) 6.107 4.749 ( -1.996 -4.239 -3.915) 6.106 4.771 ( -3.947 -2.243 2.244) 5.064 4.817 ( 3.358 3.102 3.561) 5.795 4.937 ( 0.056 -4.737 1.389) 4.936 4.986 ( -4.957 -10.068 -0.263) 11.225 5.043 ( 1.711 -2.220 1.940) 3.409 5.154 ( -4.076 0.836 -0.560) 4.198 5.195 ( 0.219 -1.493 -0.847) 1.730 5.264 ( 1.825 1.898 1.536) 3.048 5.361 ( -4.224 -5.019 -0.562) 6.584 5.377 ( -4.659 -6.686 0.764) 8.185 5.427 ( 0.837 -6.347 4.036) 7.568 5.631 ( 1.914 1.597 -4.003) 4.716 5.829 ( 3.156 2.966 -2.964) 5.248 5.896 ( 6.204 -1.536 0.545) 6.414 5.984 ( 0.558 4.453 1.645) 4.779 6.020 ( 6.310 2.565 -0.151) 6.813 6.130 ( 9.766 -0.482 -2.557) 10.106 6.269 ( 3.934 -6.023 -1.142) 7.285 6.370 ( -0.070 -6.496 2.738) 7.050 6.429 ( 1.833 -0.986 -1.863) 2.793 6.553 ( 0.016 0.445 -3.624) 3.651 6.580 ( 4.606 -6.476 -0.938) 8.002 6.679 ( -1.018 -5.529 1.589) 5.842 6.885 ( -0.215 4.831 0.203) 4.840 7.037 ( 5.858 -4.891 -3.098) 8.236 7.188 ( -0.268 1.121 -1.427) 1.834 7.271 ( -0.301 3.235 -2.919) 4.368 7.305 ( 0.747 -0.168 0.920) 1.196 7.381 ( 1.005 -1.813 -0.694) 2.186 7.507 ( -2.860 -1.007 2.792) 4.122 7.643 ( -5.014 -1.508 -0.506) 5.260 7.690 ( -1.050 -1.443 -2.664) 3.207 7.761 ( -0.627 2.447 1.578) 2.978 7.920 ( -1.851 3.896 3.148) 5.339 8.010 ( 0.114 -0.226 0.572) 0.626 8.073 ( -0.436 2.114 0.844) 2.317 8.188 ( -3.715 -1.482 -2.038) 4.489 8.262 ( 0.747 0.757 1.143) 1.562 8.272 ( -0.758 -1.310 -3.320) 3.648 8.428 ( -3.353 7.693 -1.813) 8.585 8.515 ( -1.401 2.612 2.171) 3.674 8.557 ( -1.258 1.834 2.279) 3.184 8.688 ( -4.525 4.044 3.392) 6.952 8.873 ( 0.071 -6.479 -0.299) 6.487 8.990 ( -3.527 -10.101 0.683) 10.721 9.188 ( 3.378 0.379 -1.179) 3.598 9.238 ( 1.351 -1.140 0.280) 1.790 9.459 ( -1.642 1.711 1.854) 3.010 9.520 ( -1.016 -1.619 0.116) 1.915 9.638 ( -0.311 3.934 -0.608) 3.993 9.697 ( 0.785 0.862 -4.205) 4.363 9.781 ( 1.133 -0.973 1.594) 2.185 9.850 ( 0.359 -4.479 -2.056) 4.942 9.986 ( -1.677 0.705 -1.049) 2.100 10.052 ( -1.628 -2.638 -1.876) 3.623 10.129 ( -1.563 -2.062 4.414) 5.116 10.186 ( -0.958 -2.326 2.628) 3.638 10.394 ( 1.681 4.310 0.064) 4.626 10.509 ( 3.413 -0.874 -0.456) 3.552 10.530 ( 1.098 0.559 -3.022) 3.263 10.585 ( 0.793 -3.059 -2.435) 3.990 10.894 ( 7.475 4.364 -0.830) 8.695 10.985 ( 3.421 6.292 2.423) 7.561 11.114 ( 8.858 0.175 -2.775) 9.284 11.195 ( 6.306 2.677 3.427) 7.660 11.315 ( -3.704 -2.700 0.459) 4.607 11.478 ( -0.709 8.358 -3.243) 8.993 11.561 ( 6.305 -2.435 0.107) 6.759 11.668 ( -0.832 -4.908 -0.631) 5.017 11.995 ( 5.578 -3.353 -0.957) 6.578 12.091 ( 0.973 -2.092 3.561) 4.243 12.300 ( -9.475 -4.712 4.293) 11.420 12.354 ( -2.094 -1.927 -0.879) 2.978 12.467 ( -0.012 -0.279 0.938) 0.979 12.514 ( 5.987 -2.176 -1.759) 6.609 12.659 ( -4.891 4.599 -1.540) 6.888 12.819 ( -4.090 -2.168 -2.530) 5.275 13.181 ( 4.294 4.296 -3.932) 7.236 13.257 ( 3.055 -1.013 -5.689) 6.536 13.295 ( -0.269 2.131 1.748) 2.769 13.384 ( 1.369 -0.028 5.607) 5.772 13.556 ( -6.868 5.237 -1.379) 8.746 13.606 ( -4.515 3.378 0.128) 5.640 14.282 ( 7.297 5.113 -0.293) 8.915 14.290 ( 3.723 0.873 1.222) 4.014 14.497 ( -3.530 5.094 -3.972) 7.361 14.690 ( 4.308 0.592 2.859) 5.204 14.817 ( -6.370 -3.258 -4.280) 8.337 14.926 ( -4.148 -5.042 -2.518) 6.998 15.339 ( 0.968 -0.101 2.451) 2.637 15.388 ( -2.247 -1.699 -1.902) 3.399 15.508 ( 0.227 1.332 2.944) 3.240 15.524 ( -1.521 0.960 -1.253) 2.192 15.645 ( -5.407 -1.211 6.535) 8.568 15.790 ( -1.655 -7.947 1.688) 8.291 16.281 ( -0.243 2.198 0.385) 2.245 16.428 ( 0.869 -4.737 -2.184) 5.288 16.872 ( 0.151 4.079 1.020) 4.207 16.912 ( -0.160 1.906 -0.628) 2.013 17.626 ( -0.074 0.814 0.253) 0.856 17.678 ( 0.458 -1.397 -0.357) 1.513 20.908 ( -1.327 1.711 0.148) 2.170 21.000 ( 0.068 -1.405 -1.007) 1.730 21.097 ( -2.082 0.625 1.860) 2.861 21.265 ( -1.935 -6.256 -1.570) 6.734 22.003 ( 0.343 3.975 0.863) 4.082 22.017 ( -0.503 4.863 0.030) 4.889 22.173 ( 0.121 1.218 -2.566) 2.843 22.200 ( 1.732 0.869 -1.652) 2.546 22.241 ( -0.677 -0.281 0.270) 0.781 22.320 ( -0.934 -7.552 0.242) 7.614 22.593 ( -1.299 0.577 3.338) 3.628 22.686 ( -2.001 -3.120 1.584) 4.031 22.982 ( 0.445 1.751 -1.272) 2.210 22.985 ( 0.243 1.053 -0.110) 1.087 23.066 ( 3.041 0.930 -3.770) 4.932 23.118 ( 7.761 1.616 -5.850) 9.853 23.419 ( -2.780 -0.772 3.088) 4.226 23.502 ( -3.864 -5.483 2.631) 7.205 23.831 ( -0.292 -2.203 2.657) 3.464 23.898 ( -2.677 -4.926 5.758) 8.037 24.113 ( 1.308 1.402 -0.452) 1.970 24.169 ( 1.371 5.311 -2.262) 5.933 24.227 ( -0.066 -2.342 -0.487) 2.393 24.277 ( 2.270 1.350 -3.265) 4.200 24.529 ( -1.473 1.963 4.305) 4.955 24.577 ( -0.595 0.269 0.279) 0.709 24.696 ( 0.277 2.185 -1.546) 2.691 24.712 ( 0.662 2.167 2.237) 3.184 24.718 ( -1.320 1.115 -2.827) 3.313 24.908 ( 1.730 -0.654 -2.751) 3.315 24.957 ( 0.185 6.497 4.945) 8.167 25.315 ( 2.688 -7.586 -1.234) 8.142 ======================= Grid point 67 (35/80) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -5.342 -16.945 5.589) 18.625 1.511 ( -5.342 16.945 5.589) 18.625 1.576 ( -8.154 -19.025 -1.164) 20.731 1.576 ( -8.154 19.025 -1.164) 20.731 2.012 ( 0.091 -6.581 -0.989) 6.656 2.012 ( 0.091 6.581 -0.989) 6.656 2.255 ( 1.483 -7.233 -1.161) 7.474 2.255 ( 1.483 7.233 -1.161) 7.474 2.397 ( 1.816 -1.667 -4.601) 5.220 2.397 ( 1.816 1.667 -4.601) 5.220 2.542 ( 2.771 -4.152 -5.173) 7.188 2.542 ( 2.771 4.152 -5.173) 7.188 2.631 ( 4.181 -2.904 -2.581) 5.707 2.631 ( 4.181 2.904 -2.581) 5.707 2.710 ( 2.430 -2.609 0.921) 3.683 2.710 ( 2.430 2.609 0.921) 3.683 2.901 ( 1.424 -3.089 -2.266) 4.087 2.901 ( 1.424 3.089 -2.266) 4.087 3.078 ( -1.601 -4.110 1.273) 4.591 3.078 ( -1.601 4.110 1.273) 4.591 3.192 ( -2.729 -2.171 0.614) 3.541 3.192 ( -2.729 2.171 0.614) 3.541 3.251 ( -5.422 -3.815 6.602) 9.356 3.251 ( -5.422 3.815 6.602) 9.356 3.324 ( -4.557 -12.039 -1.039) 12.914 3.324 ( -4.557 12.039 -1.039) 12.914 3.512 ( 2.762 -3.827 -1.419) 4.928 3.512 ( 2.762 3.827 -1.419) 4.928 3.620 ( 1.330 -1.333 0.903) 2.088 3.620 ( 1.330 1.333 0.903) 2.088 3.762 ( 1.767 -1.825 0.958) 2.715 3.762 ( 1.767 1.825 0.958) 2.715 3.958 ( -1.456 -3.934 0.785) 4.268 3.958 ( -1.456 3.934 0.785) 4.268 4.050 ( 2.356 -1.684 3.686) 4.687 4.050 ( 2.356 1.684 3.686) 4.687 4.212 ( 0.922 -12.652 -2.937) 13.021 4.212 ( 0.922 12.652 -2.937) 13.021 4.354 ( 2.016 -4.699 -2.489) 5.687 4.354 ( 2.016 4.699 -2.489) 5.687 4.423 ( -2.602 -3.133 -2.210) 4.633 4.423 ( -2.602 3.133 -2.210) 4.633 4.576 ( -2.738 -5.245 -2.043) 6.259 4.576 ( -2.738 5.245 -2.043) 6.259 4.689 ( -1.698 -5.140 2.003) 5.772 4.689 ( -1.698 5.140 2.003) 5.772 4.735 ( 4.353 -6.363 3.046) 8.289 4.735 ( 4.353 6.363 3.046) 8.289 4.815 ( -3.106 -5.184 -1.250) 6.172 4.815 ( -3.106 5.184 -1.250) 6.172 4.995 ( -5.408 -3.534 2.508) 6.930 4.995 ( -5.408 3.534 2.508) 6.930 5.138 ( -0.070 -6.266 -0.691) 6.304 5.138 ( -0.070 6.266 -0.691) 6.304 5.203 ( 0.759 -4.730 -1.353) 4.978 5.203 ( 0.759 4.730 -1.353) 4.978 5.361 ( -2.971 -1.969 4.153) 5.473 5.361 ( -2.971 1.969 4.153) 5.473 5.783 ( 3.483 -11.544 -2.517) 12.318 5.783 ( 3.483 11.544 -2.517) 12.318 5.974 ( 3.231 -3.842 5.192) 7.222 5.974 ( 3.231 3.842 5.192) 7.222 6.210 ( 3.001 -4.281 1.033) 5.330 6.210 ( 3.001 4.281 1.033) 5.330 6.300 ( -1.991 -3.921 4.043) 5.974 6.300 ( -1.991 3.921 4.043) 5.974 6.560 ( 1.195 -3.168 -1.863) 3.865 6.560 ( 1.195 3.168 -1.863) 3.865 6.586 ( 3.337 -5.479 0.256) 6.421 6.586 ( 3.337 5.479 0.256) 6.421 6.995 ( 3.969 -5.682 2.005) 7.215 6.995 ( 3.969 5.682 2.005) 7.215 7.180 ( -2.346 -2.382 -5.279) 6.249 7.180 ( -2.346 2.382 -5.279) 6.249 7.324 ( -0.918 -3.120 0.488) 3.289 7.324 ( -0.918 3.120 0.488) 3.289 7.546 ( 0.699 -2.679 0.406) 2.798 7.546 ( 0.699 2.679 0.406) 2.798 7.703 ( -1.423 -7.106 -7.203) 10.218 7.703 ( -1.423 7.106 -7.203) 10.218 7.988 ( 0.287 -1.468 1.295) 1.978 7.988 ( 0.287 1.468 1.295) 1.978 8.099 ( 0.916 -3.446 0.882) 3.673 8.099 ( 0.916 3.446 0.882) 3.673 8.306 ( 1.757 -1.068 1.836) 2.756 8.306 ( 1.757 1.068 1.836) 2.756 8.496 ( 0.924 -3.048 -1.917) 3.717 8.496 ( 0.924 3.048 -1.917) 3.717 8.708 ( -0.871 -7.592 6.090) 9.771 8.708 ( -0.871 7.592 6.090) 9.771 8.792 ( -1.744 -6.058 3.089) 7.021 8.792 ( -1.744 6.058 3.089) 7.021 9.224 ( -0.448 -2.504 -2.086) 3.290 9.224 ( -0.448 2.504 -2.086) 3.290 9.427 ( -2.391 -1.908 -3.920) 4.972 9.427 ( -2.391 1.908 -3.920) 4.972 9.656 ( 0.279 -1.707 -4.982) 5.274 9.656 ( 0.279 1.707 -4.982) 5.274 9.790 ( -0.939 -1.101 0.762) 1.636 9.790 ( -0.939 1.101 0.762) 1.636 9.982 ( 0.502 -0.579 -1.587) 1.762 9.982 ( 0.502 0.579 -1.587) 1.762 10.173 ( -1.053 -2.150 6.490) 6.918 10.173 ( -1.053 2.150 6.490) 6.918 10.471 ( -1.265 -2.959 -2.759) 4.239 10.471 ( -1.265 2.959 -2.759) 4.239 10.559 ( 4.332 -0.870 -0.459) 4.442 10.559 ( 4.332 0.870 -0.459) 4.442 11.076 ( -2.824 -5.269 0.220) 5.982 11.076 ( -2.824 5.269 0.220) 5.982 11.197 ( 1.044 -5.116 5.047) 7.262 11.197 ( 1.044 5.116 5.047) 7.262 11.424 ( 2.311 -7.706 -1.493) 8.183 11.424 ( 2.311 7.706 -1.493) 8.183 11.656 ( 2.679 -4.339 -2.971) 5.902 11.656 ( 2.679 4.339 -2.971) 5.902 12.012 ( -2.382 -3.709 4.962) 6.637 12.012 ( -2.382 3.709 4.962) 6.637 12.233 ( -3.504 -4.327 -1.571) 5.785 12.233 ( -3.504 4.327 -1.571) 5.785 12.532 ( 2.914 -0.955 -2.984) 4.279 12.532 ( 2.914 0.955 -2.984) 4.279 12.682 ( 0.036 -2.118 0.380) 2.152 12.682 ( 0.036 2.118 0.380) 2.152 13.214 ( 0.529 -1.460 -6.030) 6.227 13.214 ( 0.529 1.460 -6.030) 6.227 13.383 ( -1.476 -2.500 2.534) 3.854 13.383 ( -1.476 2.500 2.534) 3.854 13.641 ( 4.069 -1.183 6.307) 7.599 13.641 ( 4.069 1.183 6.307) 7.599 14.283 ( -3.389 -0.942 -5.369) 6.419 14.283 ( -3.389 0.942 -5.369) 6.419 14.601 ( 0.026 -5.614 -2.951) 6.343 14.601 ( 0.026 5.614 -2.951) 6.343 14.806 ( 1.370 -3.724 0.389) 3.987 14.806 ( 1.370 3.724 0.389) 3.987 15.357 ( 0.192 -0.455 0.122) 0.509 15.357 ( 0.192 0.455 0.122) 0.509 15.569 ( 0.022 -1.321 4.961) 5.134 15.569 ( 0.022 1.321 4.961) 5.134 15.656 ( -1.146 -3.697 2.489) 4.601 15.656 ( -1.146 3.697 2.489) 4.601 16.334 ( 0.210 -3.855 -1.622) 4.188 16.334 ( 0.210 3.855 -1.622) 4.188 16.922 ( -0.138 -0.912 -0.042) 0.923 16.922 ( -0.138 0.912 -0.042) 0.923 17.650 ( 0.013 -1.412 -0.128) 1.418 17.650 ( 0.013 1.412 -0.128) 1.418 20.953 ( 0.599 -2.702 1.077) 2.970 20.953 ( 0.599 2.702 1.077) 2.970 21.140 ( -0.231 -4.192 -0.333) 4.211 21.140 ( -0.231 4.192 -0.333) 4.211 22.058 ( -1.313 -2.754 -1.382) 3.349 22.058 ( -1.313 2.754 -1.382) 3.349 22.187 ( 1.005 -2.898 -0.778) 3.164 22.187 ( 1.005 2.898 -0.778) 3.164 22.232 ( -0.118 -1.840 0.672) 1.963 22.232 ( -0.118 1.840 0.672) 1.963 22.621 ( -1.321 -2.276 2.064) 3.344 22.621 ( -1.321 2.276 2.064) 3.344 23.012 ( 1.057 -1.221 -0.791) 1.798 23.012 ( 1.057 1.221 -0.791) 1.798 23.109 ( 4.044 -2.783 -6.837) 8.417 23.109 ( 4.044 2.783 -6.837) 8.417 23.360 ( -5.665 -0.672 0.607) 5.737 23.360 ( -5.665 0.672 0.607) 5.737 23.849 ( -1.967 -1.323 4.745) 5.304 23.849 ( -1.967 1.323 4.745) 5.304 24.153 ( 0.452 -2.099 -0.955) 2.350 24.153 ( 0.452 2.099 -0.955) 2.350 24.273 ( 1.906 -1.517 -1.860) 3.065 24.273 ( 1.906 1.517 -1.860) 3.065 24.565 ( -0.781 -2.265 2.024) 3.136 24.565 ( -0.781 2.265 2.024) 3.136 24.714 ( 0.198 -0.596 0.154) 0.646 24.714 ( 0.198 0.596 0.154) 0.646 24.850 ( 2.087 -4.324 -1.020) 4.908 24.850 ( 2.087 4.324 -1.020) 4.908 25.160 ( -0.875 -8.334 1.830) 8.577 25.160 ( -0.875 8.334 1.830) 8.577 ======================= Grid point 69 (36/80) ======================= q-point: ( 0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -6.501 -6.753 2.431) 9.683 1.379 ( -6.501 6.753 2.431) 9.683 1.603 ( 3.956 -9.207 1.017) 10.072 1.603 ( 3.956 9.207 1.017) 10.072 2.000 ( 0.719 -9.034 -0.444) 9.073 2.000 ( 0.719 9.034 -0.444) 9.073 2.191 ( -5.468 -2.596 -0.234) 6.058 2.191 ( -5.468 2.596 -0.234) 6.058 2.367 ( 0.275 -2.322 -4.971) 5.494 2.367 ( 0.275 2.322 -4.971) 5.494 2.576 ( 4.867 -4.006 -5.954) 8.671 2.576 ( 4.867 4.006 -5.954) 8.671 2.679 ( -0.321 -3.476 0.035) 3.491 2.679 ( -0.321 3.476 0.035) 3.491 2.768 ( 4.284 -0.391 1.463) 4.544 2.768 ( 4.284 0.391 1.463) 4.544 2.932 ( -1.070 -3.670 -5.807) 6.953 2.932 ( -1.070 3.670 -5.807) 6.953 3.031 ( 4.058 -5.465 1.970) 7.086 3.031 ( 4.058 5.465 1.970) 7.086 3.115 ( -0.490 -2.682 -5.504) 6.142 3.115 ( -0.490 2.682 -5.504) 6.142 3.207 ( -3.820 -3.418 0.324) 5.136 3.207 ( -3.820 3.418 0.324) 5.136 3.360 ( 5.275 -2.312 6.075) 8.371 3.360 ( 5.275 2.312 6.075) 8.371 3.540 ( -2.701 -5.469 2.632) 6.643 3.540 ( -2.701 5.469 2.632) 6.643 3.700 ( 3.953 -4.612 6.072) 8.588 3.700 ( 3.953 4.612 6.072) 8.588 3.839 ( 5.120 -0.898 0.430) 5.216 3.839 ( 5.120 0.898 0.430) 5.216 3.956 ( 1.251 -3.849 -0.549) 4.084 3.956 ( 1.251 3.849 -0.549) 4.084 4.071 ( -4.244 -2.004 -1.192) 4.843 4.071 ( -4.244 2.004 -1.192) 4.843 4.189 ( 2.556 -3.889 -1.202) 4.806 4.189 ( 2.556 3.889 -1.202) 4.806 4.303 ( -2.532 -2.214 -2.934) 4.464 4.303 ( -2.532 2.214 -2.934) 4.464 4.465 ( 3.020 -0.383 -0.135) 3.047 4.465 ( 3.020 0.383 -0.135) 3.047 4.552 ( 0.382 -9.052 0.062) 9.060 4.552 ( 0.382 9.052 0.062) 9.060 4.643 ( -0.703 -4.548 -1.292) 4.780 4.643 ( -0.703 4.548 -1.292) 4.780 4.734 ( -6.625 -1.137 1.351) 6.856 4.734 ( -6.625 1.137 1.351) 6.856 4.863 ( 1.141 -7.628 1.762) 7.911 4.863 ( 1.141 7.628 1.762) 7.911 4.885 ( 1.453 -2.137 1.701) 3.094 4.885 ( 1.453 2.137 1.701) 3.094 5.178 ( 2.134 -6.501 0.110) 6.843 5.178 ( 2.134 6.501 0.110) 6.843 5.217 ( 2.301 -5.000 -2.876) 6.210 5.217 ( 2.301 5.000 -2.876) 6.210 5.344 ( -3.450 -0.714 4.538) 5.745 5.344 ( -3.450 0.714 4.538) 5.745 5.843 ( 4.351 -14.572 1.458) 15.278 5.843 ( 4.351 14.572 1.458) 15.278 6.051 ( -2.295 -4.683 3.479) 6.269 6.051 ( -2.295 4.683 3.479) 6.269 6.223 ( -2.560 -6.009 -0.581) 6.557 6.223 ( -2.560 6.009 -0.581) 6.557 6.283 ( -2.350 -3.444 2.229) 4.728 6.283 ( -2.350 3.444 2.229) 4.728 6.468 ( -6.257 -2.901 -1.373) 7.032 6.468 ( -6.257 2.901 -1.373) 7.032 6.680 ( 3.852 -5.120 2.008) 6.714 6.680 ( 3.852 5.120 2.008) 6.714 7.022 ( -6.890 -1.611 -3.554) 7.918 7.022 ( -6.890 1.611 -3.554) 7.918 7.133 ( 4.310 -0.699 0.359) 4.381 7.133 ( 4.310 0.699 0.359) 4.381 7.316 ( 2.172 -3.569 -1.693) 4.508 7.316 ( 2.172 3.569 -1.693) 4.508 7.552 ( 3.324 -2.657 -5.687) 7.103 7.552 ( 3.324 2.657 -5.687) 7.103 7.683 ( 2.936 -3.335 1.476) 4.682 7.683 ( 2.936 3.335 1.476) 4.682 7.985 ( -0.991 -5.090 0.324) 5.196 7.985 ( -0.991 5.090 0.324) 5.196 8.133 ( 0.125 -6.087 0.812) 6.142 8.133 ( 0.125 6.087 0.812) 6.142 8.350 ( 1.105 -0.581 0.887) 1.532 8.350 ( 1.105 0.581 0.887) 1.532 8.508 ( 3.373 -4.033 -2.105) 5.663 8.508 ( 3.373 4.033 -2.105) 5.663 8.783 ( 1.754 -6.407 4.682) 8.127 8.783 ( 1.754 6.407 4.682) 8.127 8.820 ( 0.139 -8.401 5.186) 9.874 8.820 ( 0.139 8.401 5.186) 9.874 9.181 ( -1.774 -3.573 -0.548) 4.027 9.181 ( -1.774 3.573 -0.548) 4.027 9.344 ( -0.691 -2.527 -6.012) 6.558 9.344 ( -0.691 2.527 -6.012) 6.558 9.622 ( 0.799 -3.307 -3.147) 4.634 9.622 ( 0.799 3.307 -3.147) 4.634 9.775 ( -1.409 -1.853 0.987) 2.528 9.775 ( -1.409 1.853 0.987) 2.528 9.988 ( 2.314 -0.358 -1.813) 2.961 9.988 ( 2.314 0.358 -1.813) 2.961 10.225 ( -0.150 -1.713 5.079) 5.362 10.225 ( -0.150 1.713 5.079) 5.362 10.412 ( -3.457 -0.756 -1.523) 3.853 10.412 ( -3.457 0.756 -1.523) 3.853 10.615 ( 3.339 -3.421 -1.918) 5.151 10.615 ( 3.339 3.421 -1.918) 5.151 10.978 ( -8.538 -3.693 1.165) 9.375 10.978 ( -8.538 3.693 1.165) 9.375 11.208 ( -4.041 -3.745 2.017) 5.867 11.208 ( -4.041 3.745 2.017) 5.867 11.446 ( 0.549 -4.918 0.622) 4.988 11.446 ( 0.549 4.918 0.622) 4.988 11.650 ( -0.501 -1.655 -2.056) 2.687 11.650 ( -0.501 1.655 -2.056) 2.687 12.016 ( -0.730 -2.470 1.993) 3.256 12.016 ( -0.730 2.470 1.993) 3.256 12.180 ( -0.979 -3.206 0.107) 3.353 12.180 ( -0.979 3.206 0.107) 3.353 12.522 ( -1.039 -2.144 -0.466) 2.428 12.522 ( -1.039 2.144 -0.466) 2.428 12.734 ( 4.035 -3.768 -1.862) 5.827 12.734 ( 4.035 3.768 -1.862) 5.827 13.149 ( 0.808 -2.208 -5.177) 5.686 13.149 ( 0.808 2.208 -5.177) 5.686 13.415 ( 0.917 -1.316 3.612) 3.952 13.415 ( 0.917 1.316 3.612) 3.952 13.813 ( 5.959 -1.660 7.394) 9.641 13.813 ( 5.959 1.660 7.394) 9.641 14.144 ( -2.632 -0.770 -7.771) 8.241 14.144 ( -2.632 0.770 -7.771) 8.241 14.558 ( -2.598 -1.099 -2.206) 3.581 14.558 ( -2.598 1.099 -2.206) 3.581 14.838 ( 1.730 -2.719 -0.831) 3.328 14.838 ( 1.730 2.719 -0.831) 3.328 15.392 ( 3.759 -0.296 -0.089) 3.771 15.392 ( 3.759 0.296 -0.089) 3.771 15.598 ( -2.444 -3.443 5.791) 7.167 15.598 ( -2.444 3.443 5.791) 7.167 15.686 ( 0.882 -2.318 1.933) 3.144 15.686 ( 0.882 2.318 1.933) 3.144 16.318 ( 0.111 -4.503 -1.870) 4.877 16.318 ( 0.111 4.503 -1.870) 4.877 16.920 ( -0.040 -1.523 -0.034) 1.524 16.920 ( -0.040 1.523 -0.034) 1.524 17.647 ( -0.153 -1.327 -0.128) 1.342 17.647 ( -0.153 1.327 -0.128) 1.342 20.988 ( 1.611 -2.554 1.332) 3.301 20.988 ( 1.611 2.554 1.332) 3.301 21.142 ( 1.073 -4.857 -0.576) 5.008 21.142 ( 1.073 4.857 -0.576) 5.008 22.027 ( -0.965 -2.321 -0.457) 2.555 22.027 ( -0.965 2.321 -0.457) 2.555 22.172 ( 0.459 -0.279 -2.979) 3.027 22.172 ( 0.459 0.279 -2.979) 3.027 22.256 ( 0.271 -4.280 2.154) 4.799 22.256 ( 0.271 4.280 2.154) 4.799 22.623 ( -0.506 -2.365 1.470) 2.830 22.623 ( -0.506 2.365 1.470) 2.830 22.981 ( 1.215 -3.072 -7.324) 8.035 22.981 ( 1.215 3.072 -7.324) 8.035 23.157 ( 3.010 -1.102 3.401) 4.674 23.157 ( 3.010 1.102 3.401) 4.674 23.262 ( -5.014 -2.290 -1.121) 5.625 23.262 ( -5.014 2.290 -1.121) 5.625 23.853 ( -2.541 -1.051 3.601) 4.531 23.853 ( -2.541 1.051 3.601) 4.531 24.155 ( 1.016 -1.824 -1.086) 2.353 24.155 ( 1.016 1.824 -1.086) 2.353 24.284 ( 1.413 -0.397 -1.778) 2.306 24.284 ( 1.413 0.397 -1.778) 2.306 24.575 ( -0.659 -3.481 2.356) 4.255 24.575 ( -0.659 3.481 2.356) 4.255 24.723 ( 0.917 -0.991 -0.431) 1.417 24.723 ( 0.917 0.991 -0.431) 1.417 24.861 ( 0.617 -4.179 -1.535) 4.495 24.861 ( 0.617 4.179 -1.535) 4.495 25.148 ( -2.888 -7.168 2.312) 8.066 25.148 ( -2.888 7.168 2.312) 8.066 ======================= Grid point 71 (37/80) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -2.491 -1.919 8.432) 8.999 1.372 ( -2.491 1.919 8.432) 8.999 1.664 ( 4.943 -11.641 -3.930) 13.243 1.664 ( 4.943 11.641 -3.930) 13.243 2.053 ( -0.741 -5.097 5.942) 7.864 2.053 ( -0.741 5.097 5.942) 7.864 2.122 ( 0.264 -2.133 -0.259) 2.165 2.122 ( 0.264 2.133 -0.259) 2.165 2.325 ( 0.952 -1.857 -3.065) 3.708 2.325 ( 0.952 1.857 -3.065) 3.708 2.561 ( -1.374 -8.947 -5.059) 10.369 2.561 ( -1.375 8.947 -5.059) 10.369 2.608 ( -2.335 -3.266 -1.672) 4.349 2.608 ( -2.335 3.266 -1.672) 4.349 2.787 ( -2.339 -2.432 2.290) 4.078 2.787 ( -2.339 2.432 2.290) 4.078 2.965 ( 7.353 -4.444 -2.978) 9.093 2.965 ( 7.353 4.444 -2.978) 9.093 2.992 ( 0.664 -5.095 -5.523) 7.543 2.992 ( 0.664 5.095 -5.523) 7.543 3.189 ( 0.553 -3.759 2.915) 4.788 3.189 ( 0.553 3.759 2.915) 4.788 3.274 ( 10.201 -2.172 2.116) 10.642 3.274 ( 10.201 2.172 2.116) 10.642 3.481 ( -0.584 -3.048 1.702) 3.540 3.481 ( -0.584 3.048 1.702) 3.540 3.519 ( 0.021 -2.096 5.640) 6.017 3.519 ( 0.021 2.096 5.640) 6.017 3.792 ( 0.901 -6.037 1.445) 6.273 3.792 ( 0.901 6.037 1.445) 6.273 3.877 ( -1.811 -0.184 -3.382) 3.841 3.877 ( -1.811 0.184 -3.382) 3.841 3.920 ( -2.946 -4.055 -2.982) 5.831 3.920 ( -2.946 4.055 -2.982) 5.831 4.042 ( 4.643 -0.395 0.915) 4.749 4.042 ( 4.643 0.395 0.915) 4.749 4.197 ( -3.380 -2.044 3.171) 5.065 4.197 ( -3.380 2.044 3.171) 5.065 4.306 ( 3.410 -1.881 1.350) 4.122 4.306 ( 3.410 1.881 1.350) 4.122 4.417 ( -5.507 -5.647 -2.037) 8.147 4.417 ( -5.507 5.647 -2.037) 8.147 4.557 ( 1.177 -1.753 1.128) 2.394 4.557 ( 1.177 1.753 1.128) 2.394 4.624 ( -0.603 -3.066 -0.959) 3.269 4.624 ( -0.603 3.066 -0.959) 3.269 4.746 ( 5.168 -3.357 1.037) 6.249 4.746 ( 5.168 3.357 1.037) 6.249 4.887 ( 0.808 -5.477 1.825) 5.830 4.887 ( 0.808 5.477 1.825) 5.830 4.970 ( 0.680 -3.125 2.051) 3.800 4.970 ( 0.680 3.125 2.051) 3.800 5.187 ( 1.216 -3.240 -3.041) 4.607 5.187 ( 1.216 3.240 -3.041) 4.607 5.226 ( -0.447 -4.685 2.897) 5.526 5.226 ( -0.447 4.685 2.897) 5.526 5.358 ( 0.528 -4.487 2.511) 5.169 5.358 ( 0.528 4.487 2.511) 5.169 5.930 ( -1.553 -6.857 1.274) 7.145 5.930 ( -1.553 6.857 1.274) 7.145 5.948 ( -3.910 -5.553 -1.197) 6.896 5.948 ( -3.910 5.553 -1.197) 6.896 6.142 ( -5.562 -7.876 -3.339) 10.204 6.142 ( -5.562 7.876 -3.339) 10.204 6.243 ( -2.049 -5.958 -0.102) 6.302 6.243 ( -2.049 5.958 -0.102) 6.302 6.389 ( -1.458 -7.091 -0.961) 7.303 6.389 ( -1.458 7.091 -0.961) 7.303 6.755 ( 2.140 -5.612 -0.474) 6.025 6.755 ( 2.140 5.612 -0.474) 6.025 6.840 ( -5.355 -2.772 -4.679) 7.633 6.840 ( -5.355 2.772 -4.679) 7.633 7.185 ( 0.880 -2.387 1.452) 2.930 7.185 ( 0.880 2.387 1.452) 2.930 7.367 ( 4.405 -4.956 -1.696) 6.844 7.367 ( 4.405 4.956 -1.696) 6.844 7.566 ( 3.384 -3.072 -3.744) 5.908 7.566 ( 3.384 3.072 -3.744) 5.908 7.770 ( 3.990 -5.008 1.977) 6.701 7.770 ( 3.990 5.008 1.977) 6.701 7.970 ( -1.346 -7.271 0.551) 7.414 7.970 ( -1.346 7.271 0.551) 7.414 8.100 ( -3.663 -4.967 0.342) 6.181 8.100 ( -3.663 4.967 0.342) 6.181 8.379 ( 1.669 -0.140 0.675) 1.805 8.379 ( 1.669 0.140 0.675) 1.805 8.550 ( 4.296 -3.652 -3.403) 6.586 8.550 ( 4.296 3.652 -3.403) 6.586 8.853 ( 0.147 -5.658 3.984) 6.922 8.853 ( 0.147 5.658 3.984) 6.922 8.871 ( 0.278 -6.792 3.800) 7.788 8.871 ( 0.278 6.792 3.800) 7.788 9.130 ( -3.159 -3.692 -2.040) 5.270 9.130 ( -3.159 3.692 -2.040) 5.270 9.337 ( 3.404 -2.571 0.666) 4.318 9.337 ( 3.404 2.571 0.666) 4.318 9.620 ( 2.005 -3.680 -1.811) 4.565 9.620 ( 2.005 3.680 -1.811) 4.565 9.767 ( -1.420 -2.393 1.814) 3.322 9.767 ( -1.420 2.393 1.814) 3.322 10.026 ( 3.858 -0.798 -1.387) 4.177 10.026 ( 3.858 0.798 -1.387) 4.177 10.258 ( -1.059 -1.651 1.390) 2.404 10.258 ( -1.059 1.651 1.390) 2.404 10.331 ( -3.826 -0.949 0.554) 3.981 10.331 ( -3.826 0.949 0.554) 3.981 10.624 ( 0.498 -5.589 -2.815) 6.277 10.624 ( 0.498 5.589 -2.815) 6.277 10.855 ( -5.816 -1.634 1.285) 6.177 10.855 ( -5.816 1.634 1.285) 6.177 11.119 ( -5.466 -2.490 -1.716) 6.247 11.119 ( -5.466 2.490 -1.716) 6.247 11.451 ( -0.843 -4.427 0.734) 4.566 11.451 ( -0.843 4.427 0.734) 4.566 11.615 ( -0.783 -0.711 -1.564) 1.888 11.615 ( -0.783 0.711 -1.564) 1.888 12.026 ( 0.956 -9.430 -0.628) 9.499 12.026 ( 0.956 9.430 -0.628) 9.499 12.208 ( 1.131 -7.033 3.358) 7.875 12.208 ( 1.131 7.033 3.358) 7.875 12.482 ( -3.624 -4.159 0.885) 5.587 12.482 ( -3.624 4.159 0.885) 5.587 12.760 ( 2.265 -1.890 -1.960) 3.542 12.760 ( 2.265 1.890 -1.960) 3.542 13.159 ( 4.865 -2.667 -4.163) 6.936 13.159 ( 4.865 2.667 -4.163) 6.936 13.453 ( -1.064 -2.211 2.491) 3.496 13.453 ( -1.064 2.211 2.491) 3.496 13.914 ( -0.094 -3.806 -0.368) 3.825 13.914 ( -0.094 3.806 -0.368) 3.825 14.117 ( 4.946 -3.073 0.162) 5.825 14.117 ( 4.946 3.073 0.162) 5.825 14.479 ( -3.266 -4.488 -1.193) 5.677 14.479 ( -3.266 4.488 -1.193) 5.677 14.852 ( 0.904 -4.975 -0.118) 5.058 14.852 ( 0.904 4.975 -0.118) 5.058 15.447 ( 3.086 -0.969 -2.260) 3.946 15.447 ( 3.086 0.969 -2.260) 3.946 15.623 ( -2.121 -3.373 6.135) 7.316 15.623 ( -2.121 3.373 6.135) 7.316 15.699 ( -0.328 -3.659 -0.297) 3.686 15.699 ( -0.328 3.659 -0.297) 3.686 16.305 ( 0.454 -5.118 -1.133) 5.262 16.305 ( 0.454 5.118 -1.133) 5.262 16.920 ( 0.068 -2.002 0.090) 2.005 16.920 ( 0.068 2.002 0.090) 2.005 17.643 ( -0.127 -1.204 -0.056) 1.212 17.643 ( -0.127 1.204 -0.056) 1.212 21.020 ( 0.885 -2.123 0.253) 2.314 21.020 ( 0.885 2.123 0.253) 2.314 21.161 ( 1.430 -5.591 -0.356) 5.782 21.161 ( 1.430 5.591 -0.356) 5.782 22.017 ( -0.429 -1.994 0.792) 2.188 22.017 ( -0.429 1.994 0.792) 2.188 22.159 ( 1.051 -0.545 -1.795) 2.150 22.159 ( 1.051 0.545 -1.795) 2.150 22.272 ( -0.332 -3.317 0.954) 3.467 22.272 ( -0.332 3.317 0.954) 3.467 22.633 ( -0.184 -3.460 1.512) 3.781 22.633 ( -0.184 3.460 1.512) 3.781 22.942 ( 2.244 -2.063 -4.944) 5.808 22.942 ( 2.244 2.063 -4.944) 5.808 23.161 ( -2.946 -2.815 -3.566) 5.415 23.161 ( -2.946 2.815 -3.566) 5.415 23.265 ( 1.402 -1.104 7.778) 7.980 23.265 ( 1.402 1.104 7.778) 7.980 23.838 ( -2.671 -1.577 2.272) 3.845 23.838 ( -2.671 1.577 2.272) 3.845 24.163 ( 1.087 -1.780 -0.912) 2.276 24.163 ( 1.087 1.780 -0.912) 2.276 24.283 ( 1.019 -1.215 -2.340) 2.826 24.283 ( 1.019 1.215 -2.340) 2.826 24.588 ( -0.886 -3.860 2.488) 4.678 24.588 ( -0.886 3.860 2.488) 4.678 24.733 ( 1.199 -0.924 -1.191) 1.926 24.733 ( 1.199 0.924 -1.191) 1.926 24.841 ( -0.079 -6.084 -2.883) 6.733 24.841 ( -0.079 6.084 -2.883) 6.733 25.118 ( -3.110 -6.702 2.451) 7.784 25.118 ( -3.110 6.702 2.451) 7.784 ======================= Grid point 73 (38/80) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -4.007 -4.684 9.715) 11.506 1.410 ( -4.007 4.684 9.715) 11.506 1.738 ( 8.340 -7.424 -2.538) 11.451 1.738 ( 8.340 7.425 -2.538) 11.451 2.002 ( -9.139 -5.297 4.640) 11.538 2.002 ( -9.139 5.297 4.640) 11.538 2.182 ( 0.807 -3.020 1.197) 3.347 2.182 ( 0.807 3.020 1.197) 3.347 2.354 ( 4.044 -4.600 0.693) 6.164 2.354 ( 4.044 4.600 0.693) 6.164 2.504 ( 1.709 -5.600 -4.490) 7.378 2.504 ( 1.709 5.600 -4.490) 7.378 2.623 ( 3.764 -3.921 1.009) 5.528 2.623 ( 3.764 3.921 1.009) 5.528 2.776 ( -0.724 -1.266 0.100) 1.461 2.776 ( -0.724 1.266 0.100) 1.461 2.971 ( 0.663 -2.686 1.435) 3.117 2.971 ( 0.663 2.686 1.435) 3.117 3.054 ( 4.455 -2.321 -1.253) 5.177 3.054 ( 4.455 2.321 -1.253) 5.177 3.243 ( 1.884 -3.744 1.028) 4.315 3.243 ( 1.884 3.744 1.028) 4.315 3.356 ( -4.839 -4.241 1.545) 6.617 3.356 ( -4.839 4.241 1.545) 6.617 3.449 ( -1.032 -1.976 1.821) 2.879 3.449 ( -1.032 1.976 1.821) 2.879 3.568 ( -5.684 -2.203 2.158) 6.467 3.568 ( -5.684 2.203 2.158) 6.467 3.740 ( 0.262 -2.653 -3.721) 4.577 3.740 ( 0.262 2.653 -3.721) 4.577 3.819 ( 2.079 -4.066 -3.305) 5.637 3.819 ( 2.079 4.066 -3.305) 5.637 3.900 ( -0.682 -2.304 -0.280) 2.420 3.900 ( -0.682 2.304 -0.280) 2.420 4.121 ( 1.108 -1.239 2.549) 3.043 4.121 ( 1.108 1.239 2.549) 3.043 4.203 ( -2.331 -1.446 6.887) 7.413 4.203 ( -2.331 1.446 6.887) 7.413 4.310 ( -0.384 -2.755 -1.256) 3.052 4.310 ( -0.384 2.755 -1.256) 3.052 4.391 ( 2.360 -5.458 0.056) 5.946 4.391 ( 2.360 5.458 0.056) 5.946 4.558 ( -1.488 -2.335 -0.297) 2.785 4.558 ( -1.488 2.335 -0.297) 2.785 4.648 ( 1.972 -3.355 0.108) 3.894 4.648 ( 1.972 3.355 0.108) 3.894 4.811 ( 0.298 -6.875 2.183) 7.219 4.811 ( 0.298 6.875 2.183) 7.219 4.908 ( -0.505 -6.329 0.951) 6.420 4.908 ( -0.505 6.329 0.951) 6.420 4.962 ( -1.228 -5.318 0.544) 5.485 4.962 ( -1.228 5.318 0.544) 5.485 5.158 ( -1.147 -2.754 -0.770) 3.081 5.158 ( -1.147 2.754 -0.770) 3.081 5.276 ( 0.723 -6.609 3.404) 7.469 5.276 ( 0.723 6.609 3.404) 7.469 5.374 ( -2.341 -3.647 1.845) 4.710 5.374 ( -2.341 3.647 1.845) 4.710 5.802 ( -2.602 -3.320 -4.137) 5.908 5.802 ( -2.602 3.320 -4.137) 5.908 5.959 ( -1.045 -4.356 -2.139) 4.965 5.959 ( -1.045 4.356 -2.139) 4.965 6.032 ( 1.423 -8.184 -6.316) 10.435 6.032 ( 1.423 8.184 -6.316) 10.435 6.232 ( 0.464 -3.804 -0.513) 3.867 6.232 ( 0.464 3.804 -0.513) 3.867 6.370 ( 0.405 -4.671 -0.709) 4.742 6.370 ( 0.405 4.671 -0.709) 4.742 6.654 ( -2.022 -1.281 -8.009) 8.359 6.654 ( -2.022 1.281 -8.009) 8.359 6.864 ( 3.600 -5.167 1.284) 6.426 6.864 ( 3.600 5.167 1.284) 6.426 7.227 ( 1.184 -4.675 3.669) 6.059 7.227 ( 1.184 4.675 3.669) 6.059 7.395 ( 0.460 -4.842 -1.781) 5.180 7.395 ( 0.460 4.842 -1.781) 5.180 7.567 ( 1.219 -3.664 -3.318) 5.091 7.567 ( 1.219 3.664 -3.318) 5.091 7.822 ( -0.132 -8.748 -2.411) 9.075 7.822 ( -0.132 8.748 -2.411) 9.075 7.949 ( -0.499 -3.344 2.362) 4.125 7.949 ( -0.499 3.344 2.362) 4.125 8.080 ( -0.039 -1.527 2.827) 3.213 8.080 ( -0.039 1.527 2.827) 3.213 8.400 ( -0.316 -1.823 -0.596) 1.944 8.400 ( -0.316 1.823 -0.596) 1.944 8.583 ( 3.209 -3.200 -2.975) 5.421 8.583 ( 3.209 3.200 -2.975) 5.421 8.819 ( -6.198 -2.435 1.214) 6.769 8.819 ( -6.198 2.435 1.214) 6.769 8.893 ( -2.295 -6.016 1.542) 6.621 8.893 ( -2.295 6.016 1.542) 6.621 9.105 ( 2.029 -5.242 0.465) 5.641 9.105 ( 2.029 5.242 0.465) 5.641 9.413 ( 1.581 -1.335 4.265) 4.741 9.413 ( 1.581 1.335 4.265) 4.741 9.656 ( 2.967 -2.811 0.150) 4.090 9.656 ( 2.967 2.811 0.150) 4.090 9.757 ( -1.793 -2.387 1.636) 3.404 9.757 ( -1.793 2.387 1.636) 3.404 10.067 ( 1.320 -1.525 -0.954) 2.231 10.067 ( 1.320 1.525 -0.954) 2.231 10.194 ( -2.533 -0.813 -3.053) 4.049 10.194 ( -2.533 0.813 -3.053) 4.049 10.342 ( 0.488 -2.483 3.763) 4.534 10.342 ( 0.488 2.483 3.763) 4.534 10.604 ( 1.705 -5.251 -2.021) 5.879 10.604 ( 1.705 5.251 -2.021) 5.879 10.807 ( -1.926 -1.141 -0.243) 2.252 10.807 ( -1.926 1.141 -0.243) 2.252 11.045 ( 1.611 -4.163 -3.320) 5.563 11.045 ( 1.611 4.163 -3.320) 5.563 11.429 ( -1.568 -4.226 -0.912) 4.599 11.429 ( -1.568 4.226 -0.912) 4.599 11.600 ( 0.779 -1.187 -1.438) 2.021 11.600 ( 0.779 1.187 -1.438) 2.021 12.034 ( -0.196 -7.744 0.349) 7.754 12.034 ( -0.196 7.744 0.349) 7.754 12.238 ( -0.831 -7.997 1.701) 8.218 12.238 ( -0.831 7.997 1.701) 8.218 12.457 ( -0.936 -3.577 2.821) 4.651 12.457 ( -0.936 3.577 2.821) 4.651 12.791 ( 2.391 -0.613 0.115) 2.471 12.791 ( 2.391 0.613 0.115) 2.471 13.192 ( 3.953 -2.528 -4.548) 6.535 13.192 ( 3.953 2.528 -4.548) 6.535 13.418 ( -4.159 -3.368 -0.016) 5.351 13.418 ( -4.159 3.368 -0.016) 5.351 13.872 ( -1.466 -2.266 -3.842) 4.695 13.872 ( -1.466 2.266 -3.842) 4.695 14.191 ( 0.625 -2.648 2.113) 3.445 14.191 ( 0.625 2.648 2.113) 3.445 14.483 ( 2.981 -4.746 3.273) 6.490 14.483 ( 2.981 4.746 3.273) 6.490 14.874 ( 0.936 -5.338 1.293) 5.571 14.874 ( 0.936 5.338 1.293) 5.571 15.439 ( -0.090 -0.790 -4.024) 4.101 15.439 ( -0.090 0.790 -4.024) 4.101 15.613 ( -4.102 -1.607 1.553) 4.671 15.613 ( -4.102 1.607 1.553) 4.671 15.695 ( -0.289 -4.032 1.200) 4.217 15.695 ( -0.289 4.032 1.200) 4.217 16.313 ( 1.100 -4.957 -0.109) 5.079 16.313 ( 1.100 4.957 -0.109) 5.079 16.923 ( -0.003 -2.034 0.177) 2.042 16.923 ( -0.003 2.034 0.177) 2.042 17.642 ( 0.062 -1.186 0.014) 1.188 17.642 ( 0.062 1.186 0.014) 1.188 21.017 ( -0.794 -1.917 -0.850) 2.242 21.017 ( -0.794 1.917 -0.850) 2.242 21.176 ( 0.463 -5.676 -0.167) 5.697 21.176 ( 0.463 5.676 -0.167) 5.697 22.028 ( 0.096 -2.300 1.824) 2.937 22.028 ( 0.096 2.300 1.824) 2.937 22.172 ( 1.686 -0.847 -0.575) 1.972 22.172 ( 1.686 0.847 -0.575) 1.972 22.263 ( -1.128 -3.743 -0.211) 3.915 22.263 ( -1.128 3.743 -0.211) 3.915 22.643 ( -1.054 -4.181 2.098) 4.795 22.643 ( -1.054 4.181 2.098) 4.795 22.966 ( 4.841 -1.525 -2.299) 5.572 22.966 ( 4.841 1.525 -2.299) 5.572 23.079 ( -1.874 -2.248 -3.897) 4.873 23.079 ( -1.874 2.248 -3.897) 4.873 23.364 ( -0.192 -1.233 8.641) 8.730 23.364 ( -0.192 1.233 8.641) 8.730 23.816 ( -2.037 -1.753 1.646) 3.151 23.816 ( -2.037 1.753 1.646) 3.151 24.169 ( 0.488 -2.618 -0.669) 2.745 24.169 ( 0.488 2.618 -0.669) 2.745 24.274 ( 1.237 -1.803 -2.996) 3.709 24.274 ( 1.237 1.803 -2.996) 3.709 24.591 ( -1.586 -3.771 2.062) 4.582 24.591 ( -1.586 3.771 2.062) 4.582 24.734 ( 0.530 -0.153 -1.622) 1.713 24.734 ( 0.530 0.153 -1.622) 1.713 24.812 ( 0.960 -7.744 -3.461) 8.536 24.812 ( 0.960 7.744 -3.461) 8.536 25.101 ( -1.417 -7.503 2.031) 7.901 25.101 ( -1.417 7.503 2.031) 7.901 ======================= Grid point 75 (39/80) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -2.551 -7.439 9.575) 12.391 1.457 ( -2.551 7.439 9.575) 12.391 1.837 ( -0.068 -6.708 0.227) 6.712 1.837 ( -0.068 6.708 0.227) 6.712 1.926 ( -2.512 -2.078 7.754) 8.412 1.926 ( -2.512 2.078 7.754) 8.412 2.170 ( -0.172 -7.233 -1.487) 7.387 2.170 ( -0.172 7.233 -1.487) 7.387 2.440 ( 3.258 -3.552 -3.061) 5.709 2.440 ( 3.258 3.552 -3.061) 5.709 2.487 ( 4.526 -1.596 -4.653) 6.684 2.487 ( 4.526 1.596 -4.653) 6.684 2.662 ( -1.180 -2.956 -3.012) 4.382 2.662 ( -1.180 2.956 -3.012) 4.382 2.788 ( 1.853 -0.974 0.552) 2.165 2.788 ( 1.853 0.974 0.552) 2.165 3.038 ( 1.192 -3.837 5.616) 6.905 3.038 ( 1.192 3.837 5.616) 6.905 3.069 ( -2.409 -4.845 0.412) 5.427 3.069 ( -2.409 4.845 0.412) 5.427 3.190 ( -8.491 -3.036 -0.887) 9.062 3.190 ( -8.491 3.036 -0.887) 9.062 3.326 ( 1.374 -3.999 4.139) 5.917 3.326 ( 1.374 3.999 4.139) 5.917 3.392 ( -4.389 -2.442 -0.857) 5.095 3.392 ( -4.389 2.442 -0.857) 5.095 3.512 ( -1.825 -1.554 3.132) 3.944 3.512 ( -1.825 1.554 3.132) 3.944 3.702 ( -7.747 -4.762 -2.404) 9.406 3.702 ( -7.747 4.762 -2.404) 9.406 3.757 ( 0.977 -0.101 -1.486) 1.782 3.757 ( 0.977 0.101 -1.486) 1.782 3.961 ( 4.198 -6.220 1.167) 7.595 3.961 ( 4.198 6.220 1.167) 7.595 4.084 ( -5.854 -0.984 -1.740) 6.186 4.084 ( -5.854 0.984 -1.740) 6.186 4.249 ( 1.162 -3.154 -3.260) 4.682 4.249 ( 1.162 3.154 -3.260) 4.682 4.300 ( 0.532 -4.956 4.172) 6.500 4.300 ( 0.532 4.956 4.172) 6.500 4.449 ( 4.637 -5.953 0.297) 7.552 4.449 ( 4.637 5.953 0.297) 7.552 4.583 ( 2.312 -3.525 1.662) 4.532 4.583 ( 2.312 3.525 1.662) 4.532 4.684 ( 1.882 -4.140 3.592) 5.795 4.684 ( 1.882 4.140 3.592) 5.795 4.793 ( -5.717 -1.279 2.014) 6.194 4.793 ( -5.717 1.279 2.014) 6.194 4.844 ( -5.777 -4.669 -1.324) 7.545 4.844 ( -5.777 4.669 -1.324) 7.545 4.961 ( -1.075 -3.913 1.585) 4.356 4.961 ( -1.075 3.913 1.585) 4.356 5.176 ( 2.318 -1.989 2.417) 3.895 5.176 ( 2.318 1.989 2.417) 3.895 5.268 ( -2.709 -6.929 0.159) 7.442 5.268 ( -2.709 6.929 0.159) 7.442 5.346 ( -3.936 -1.164 3.913) 5.671 5.346 ( -3.936 1.164 3.913) 5.671 5.755 ( 1.595 -8.493 -4.432) 9.712 5.755 ( 1.595 8.493 -4.432) 9.712 5.933 ( 2.622 -1.417 -5.234) 6.023 5.933 ( 2.622 1.417 -5.234) 6.023 6.044 ( 7.121 -8.642 -6.153) 12.777 6.044 ( 7.121 8.642 -6.153) 12.777 6.232 ( -0.289 -7.902 0.343) 7.914 6.232 ( -0.289 7.902 0.343) 7.914 6.396 ( 3.730 -1.847 -1.475) 4.416 6.396 ( 3.730 1.847 -1.475) 4.416 6.580 ( 1.067 -2.585 -4.511) 5.307 6.580 ( 1.067 2.585 -4.511) 5.307 6.934 ( 3.994 -5.394 -0.903) 6.772 6.934 ( 3.994 5.394 -0.903) 6.772 7.264 ( -1.959 -1.770 2.032) 3.331 7.264 ( -1.959 1.770 2.032) 3.331 7.362 ( -1.498 -3.064 -0.222) 3.417 7.362 ( -1.498 3.064 -0.222) 3.417 7.568 ( 1.478 -6.263 -1.036) 6.518 7.568 ( 1.478 6.263 -1.036) 6.518 7.743 ( -1.342 -6.351 -4.232) 7.749 7.743 ( -1.342 6.351 -4.232) 7.749 7.992 ( -1.145 -1.823 3.755) 4.329 7.992 ( -1.145 1.823 3.755) 4.329 8.134 ( 2.433 -3.540 2.542) 4.992 8.134 ( 2.433 3.540 2.542) 4.992 8.331 ( -3.520 -2.670 -5.402) 6.979 8.331 ( -3.520 2.670 -5.402) 6.979 8.578 ( -2.335 -2.909 -0.595) 3.778 8.578 ( -2.335 2.909 -0.595) 3.778 8.728 ( -3.579 -6.992 0.287) 7.860 8.728 ( -3.579 6.992 0.287) 7.860 8.856 ( -4.369 -6.576 3.112) 8.486 8.856 ( -4.369 6.576 3.112) 8.486 9.156 ( 2.571 -3.699 0.861) 4.587 9.156 ( 2.571 3.699 0.861) 4.587 9.477 ( 0.630 -1.592 3.916) 4.274 9.477 ( 0.630 1.592 3.916) 4.274 9.703 ( 1.665 -2.659 0.188) 3.143 9.703 ( 1.665 2.659 0.188) 3.143 9.750 ( -0.496 -2.306 1.739) 2.931 9.750 ( -0.496 2.306 1.739) 2.931 10.044 ( -2.505 -1.449 -0.085) 2.896 10.044 ( -2.505 1.449 -0.085) 2.896 10.144 ( -0.242 -0.771 -2.717) 2.834 10.144 ( -0.242 0.771 -2.717) 2.834 10.395 ( 1.923 -2.787 2.901) 4.459 10.395 ( 1.923 2.787 2.901) 4.459 10.623 ( 0.278 -3.299 -3.843) 5.073 10.623 ( 0.278 3.299 -3.843) 5.073 10.814 ( 6.336 -1.929 0.482) 6.640 10.814 ( 6.336 1.929 0.482) 6.640 11.103 ( 6.517 -2.672 -2.316) 7.415 11.103 ( 6.517 2.672 -2.316) 7.415 11.392 ( -0.697 -4.846 -1.439) 5.103 11.392 ( -0.697 4.846 -1.439) 5.103 11.609 ( 2.098 -3.454 -1.604) 4.348 11.609 ( 2.098 3.454 -1.604) 4.348 12.013 ( -1.960 -4.293 -0.243) 4.726 12.013 ( -1.960 4.293 -0.243) 4.726 12.262 ( 0.369 -1.401 4.574) 4.798 12.262 ( 0.369 1.401 4.574) 4.798 12.471 ( -0.461 -2.113 0.664) 2.263 12.471 ( -0.461 2.113 0.664) 2.263 12.819 ( -0.221 -2.575 -0.325) 2.605 12.819 ( -0.221 2.575 -0.325) 2.605 13.212 ( 4.169 -1.772 -4.266) 6.223 13.212 ( 4.169 1.772 -4.266) 6.223 13.342 ( -3.665 -2.604 0.615) 4.538 13.342 ( -3.665 2.604 0.615) 4.538 13.772 ( -5.810 -0.497 -3.600) 6.853 13.772 ( -5.810 0.497 -3.600) 6.853 14.230 ( 2.421 -0.747 2.180) 3.342 14.230 ( 2.421 0.747 2.180) 3.342 14.583 ( 3.016 -0.861 3.222) 4.496 14.583 ( 3.016 0.861 3.222) 4.496 14.894 ( -0.976 -3.681 0.716) 3.875 14.894 ( -0.976 3.681 0.716) 3.875 15.377 ( -1.382 -2.774 -3.582) 4.737 15.377 ( -1.382 2.774 -3.582) 4.737 15.553 ( -2.926 -1.841 -0.157) 3.460 15.553 ( -2.926 1.841 -0.157) 3.460 15.694 ( -2.149 -3.115 2.294) 4.426 15.694 ( -2.149 3.115 2.294) 4.426 16.332 ( 1.037 -4.206 -0.110) 4.333 16.332 ( 1.037 4.206 -0.110) 4.333 16.924 ( -0.077 -1.582 0.195) 1.596 16.924 ( -0.077 1.582 0.195) 1.596 17.645 ( 0.221 -1.287 0.006) 1.306 17.645 ( 0.221 1.287 0.006) 1.306 20.984 ( -1.798 -2.243 -0.848) 2.997 20.984 ( -1.798 2.243 -0.848) 2.997 21.172 ( -0.691 -5.208 -0.103) 5.255 21.172 ( -0.691 5.208 -0.103) 5.255 22.057 ( 0.563 -2.662 2.450) 3.661 22.057 ( 0.563 2.662 2.450) 3.661 22.188 ( 0.780 -1.946 -1.604) 2.640 22.188 ( 0.780 1.946 -1.604) 2.640 22.239 ( -0.839 -1.883 0.066) 2.062 22.239 ( -0.839 1.883 0.066) 2.062 22.638 ( -2.103 -3.427 2.377) 4.671 22.638 ( -2.103 3.427 2.377) 4.671 23.015 ( -0.480 -1.273 -2.153) 2.547 23.015 ( -0.480 1.273 -2.153) 2.547 23.051 ( 6.375 -1.938 -3.433) 7.495 23.051 ( 6.375 1.938 -3.433) 7.495 23.426 ( -2.304 -2.009 7.205) 7.826 23.426 ( -2.304 2.009 7.205) 7.826 23.809 ( -1.321 -1.675 2.788) 3.510 23.809 ( -1.321 1.675 2.788) 3.510 24.165 ( -0.133 -3.219 -0.593) 3.276 24.165 ( -0.133 3.219 -0.593) 3.276 24.267 ( 1.693 -2.265 -3.250) 4.308 24.267 ( 1.693 2.265 -3.250) 4.308 24.577 ( -1.864 -2.754 1.232) 3.546 24.577 ( -1.864 2.754 1.232) 3.546 24.722 ( -0.188 -0.392 -0.898) 0.998 24.722 ( -0.188 0.392 -0.898) 0.998 24.806 ( 2.193 -6.485 -3.089) 7.510 24.806 ( 2.193 6.485 -3.089) 7.510 25.113 ( 0.526 -8.886 1.477) 9.023 25.113 ( 0.526 8.886 1.477) 9.023 ======================= Grid point 77 (40/80) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -2.697 -6.619 6.776) 9.848 1.495 ( -2.697 6.619 6.776) 9.848 1.762 ( -11.597 -6.472 6.313) 14.705 1.762 ( -11.597 6.472 6.313) 14.705 2.004 ( 1.845 -3.094 0.889) 3.710 2.004 ( 1.845 3.094 0.889) 3.710 2.180 ( 5.892 -5.938 -3.323) 9.001 2.180 ( 5.892 5.938 -3.323) 9.001 2.415 ( 1.193 -1.153 -5.087) 5.351 2.415 ( 1.193 1.153 -5.087) 5.351 2.542 ( 5.136 -2.581 -4.055) 7.035 2.542 ( 5.136 2.581 -4.055) 7.035 2.625 ( 0.354 -2.470 -0.389) 2.526 2.625 ( 0.354 2.470 -0.389) 2.526 2.734 ( -4.021 -1.850 -5.671) 7.193 2.734 ( -4.021 1.850 -5.671) 7.193 2.977 ( -5.004 -5.531 -3.153) 8.098 2.977 ( -5.004 5.531 -3.153) 8.098 3.051 ( -1.460 -2.403 1.473) 3.175 3.051 ( -1.460 2.403 1.473) 3.175 3.171 ( -0.854 -3.907 10.224) 10.978 3.171 ( -0.854 3.907 10.224) 10.978 3.310 ( -5.473 -1.186 2.429) 6.104 3.310 ( -5.473 1.186 2.429) 6.104 3.393 ( -4.137 -8.129 3.374) 9.725 3.393 ( -4.137 8.129 3.374) 9.725 3.507 ( 1.544 -1.938 -1.792) 3.058 3.507 ( 1.544 1.938 -1.792) 3.058 3.600 ( 0.620 -1.559 -2.268) 2.821 3.600 ( 0.620 1.559 -2.268) 2.821 3.762 ( -1.313 -0.942 0.853) 1.827 3.762 ( -1.313 0.942 0.853) 1.827 3.958 ( -1.323 -0.678 -0.000) 1.486 3.958 ( -1.323 0.678 -0.000) 1.486 4.021 ( -0.354 -4.672 -0.583) 4.722 4.021 ( -0.354 4.672 -0.583) 4.722 4.223 ( 1.057 -11.438 -3.843) 12.113 4.223 ( 1.057 11.438 -3.843) 12.113 4.342 ( 0.126 -1.107 1.344) 1.746 4.342 ( 0.126 1.107 1.344) 1.746 4.518 ( -2.405 -3.828 0.416) 4.540 4.518 ( -2.405 3.828 0.416) 4.540 4.603 ( 2.251 -10.140 1.809) 10.543 4.603 ( 2.251 10.140 1.809) 10.543 4.673 ( -2.852 -2.816 -3.092) 5.062 4.673 ( -2.852 2.816 -3.092) 5.062 4.721 ( -3.881 -4.459 0.069) 5.912 4.721 ( -3.881 4.459 0.069) 5.912 4.836 ( 2.499 -6.296 4.122) 7.929 4.836 ( 2.499 6.296 4.122) 7.929 4.959 ( -0.783 -4.804 3.439) 5.959 4.959 ( -0.783 4.804 3.439) 5.959 5.200 ( -2.000 -4.020 -1.041) 4.609 5.200 ( -2.000 4.020 -1.041) 4.609 5.240 ( -3.956 -0.692 1.493) 4.285 5.240 ( -3.956 0.692 1.493) 4.285 5.337 ( -0.311 -2.931 5.270) 6.038 5.337 ( -0.311 2.931 5.270) 6.038 5.759 ( 3.242 -9.100 -3.874) 10.409 5.759 ( 3.242 9.100 -3.874) 10.409 5.917 ( 1.164 -4.392 -2.049) 4.984 5.917 ( 1.164 4.392 -2.049) 4.984 6.130 ( 6.370 -6.014 -1.660) 8.916 6.130 ( 6.370 6.014 -1.660) 8.916 6.257 ( 1.209 -5.775 3.423) 6.822 6.257 ( 1.209 5.775 3.423) 6.822 6.461 ( 7.974 -4.789 -4.534) 10.347 6.461 ( 7.974 4.789 -4.534) 10.347 6.585 ( 1.383 -3.185 -0.494) 3.508 6.585 ( 1.383 3.185 -0.494) 3.508 6.961 ( 0.773 -2.986 -1.279) 3.339 6.961 ( 0.773 2.986 -1.279) 3.339 7.236 ( -0.411 -3.558 -1.441) 3.861 7.236 ( -0.411 3.558 -1.441) 3.861 7.338 ( -1.774 -1.819 0.182) 2.547 7.338 ( -1.774 1.819 0.182) 2.547 7.554 ( -2.259 -4.924 0.655) 5.457 7.554 ( -2.259 4.924 0.655) 5.457 7.751 ( 3.865 -3.504 -2.878) 5.958 7.751 ( 3.865 3.504 -2.878) 5.958 7.974 ( -2.057 -2.838 0.852) 3.607 7.974 ( -2.057 2.838 0.852) 3.607 8.137 ( -3.840 -3.508 -1.069) 5.310 8.137 ( -3.840 3.508 -1.069) 5.310 8.268 ( 1.664 -0.239 -0.703) 1.822 8.268 ( 1.664 0.239 -0.703) 1.822 8.517 ( -2.057 -1.898 -1.340) 3.104 8.517 ( -2.057 1.898 -1.340) 3.104 8.697 ( -3.144 -8.459 3.812) 9.796 8.697 ( -3.144 8.459 3.812) 9.796 8.813 ( -4.042 -5.998 2.906) 7.794 8.813 ( -4.042 5.998 2.906) 7.794 9.211 ( 3.040 -1.476 -0.334) 3.395 9.211 ( 3.040 1.476 -0.334) 3.395 9.489 ( -2.150 -1.425 0.514) 2.630 9.489 ( -2.150 1.425 0.514) 2.630 9.701 ( 0.832 -1.425 -4.527) 4.818 9.701 ( 0.832 1.425 -4.527) 4.818 9.778 ( 0.468 -1.545 2.268) 2.784 9.778 ( 0.468 1.545 2.268) 2.784 10.002 ( -1.655 -1.531 -0.483) 2.305 10.002 ( -1.655 1.531 -0.483) 2.305 10.136 ( -0.848 -1.965 3.332) 3.960 10.136 ( -0.848 1.965 3.332) 3.960 10.470 ( 3.952 -2.948 1.059) 5.042 10.470 ( 3.952 2.948 1.059) 5.042 10.546 ( -1.861 -1.101 -4.533) 5.023 10.546 ( -1.861 1.101 -4.533) 5.023 10.996 ( 10.464 -4.925 1.279) 11.635 10.996 ( 10.464 4.925 1.279) 11.635 11.155 ( -0.036 -5.516 1.216) 5.648 11.155 ( -0.036 5.516 1.216) 5.648 11.396 ( 2.983 -8.686 -2.073) 9.415 11.396 ( 2.983 8.686 -2.073) 9.415 11.634 ( 2.779 -3.977 -2.092) 5.283 11.634 ( 2.779 3.977 -2.092) 5.283 11.994 ( -0.453 -4.551 1.518) 4.819 11.994 ( -0.453 4.551 1.518) 4.819 12.296 ( -3.777 -2.907 4.192) 6.347 12.296 ( -3.777 2.907 4.192) 6.347 12.478 ( 3.731 -1.231 -1.881) 4.356 12.478 ( 3.731 1.231 -1.881) 4.356 12.756 ( -4.966 -4.187 -1.993) 6.794 12.756 ( -4.966 4.187 -1.993) 6.794 13.231 ( 3.331 -1.411 -5.244) 6.371 13.231 ( 3.331 1.411 -5.244) 6.371 13.354 ( 1.350 -2.750 4.302) 5.281 13.354 ( 1.350 2.750 4.302) 5.281 13.631 ( -6.164 -1.435 -0.737) 6.371 13.631 ( -6.164 1.435 -0.737) 6.371 14.304 ( 3.103 -0.829 0.691) 3.285 14.304 ( 3.103 0.829 0.691) 3.285 14.627 ( 0.533 -6.121 -0.939) 6.215 14.627 ( 0.533 6.121 -0.939) 6.215 14.833 ( -3.872 -3.966 -1.712) 5.801 14.833 ( -3.872 3.966 -1.712) 5.801 15.356 ( 0.135 -1.477 0.372) 1.529 15.356 ( 0.135 1.477 0.372) 1.529 15.527 ( -0.306 -0.715 1.438) 1.635 15.527 ( -0.306 0.715 1.438) 1.635 15.672 ( -3.114 -3.511 2.566) 5.348 15.672 ( -3.114 3.511 2.566) 5.348 16.341 ( 0.521 -3.707 -0.860) 3.841 16.341 ( 0.521 3.707 -0.860) 3.841 16.924 ( -0.103 -0.921 0.100) 0.932 16.924 ( -0.103 0.921 0.100) 0.932 17.649 ( 0.198 -1.390 -0.064) 1.405 17.649 ( 0.198 1.390 -0.064) 1.405 20.952 ( -1.105 -2.599 0.035) 2.824 20.952 ( -1.105 2.599 0.035) 2.824 21.154 ( -1.065 -4.442 -0.092) 4.569 21.154 ( -1.065 4.442 -0.092) 4.569 22.082 ( -0.217 -1.330 0.571) 1.463 22.082 ( -0.217 1.330 0.571) 1.463 22.172 ( 0.028 -0.894 -0.488) 1.019 22.172 ( 0.028 0.894 -0.488) 1.019 22.238 ( 0.151 -0.646 -0.459) 0.806 22.238 ( 0.151 0.646 -0.459) 0.806 22.626 ( -2.035 -2.531 2.447) 4.066 22.626 ( -2.035 2.531 2.447) 4.066 22.996 ( 0.113 -0.429 -0.009) 0.444 22.996 ( 0.113 0.429 -0.009) 0.444 23.109 ( 5.932 -2.231 -7.362) 9.714 23.109 ( 5.932 2.231 -7.362) 9.714 23.426 ( -4.276 -1.893 3.670) 5.944 23.426 ( -4.276 1.893 3.670) 5.944 23.826 ( -1.364 -1.788 4.722) 5.229 23.826 ( -1.364 1.788 4.722) 5.229 24.157 ( -0.001 -2.786 -0.618) 2.854 24.157 ( -0.001 2.786 -0.618) 2.854 24.265 ( 1.774 -2.444 -2.800) 4.118 24.265 ( 1.774 2.444 -2.800) 4.118 24.563 ( -1.194 -1.413 1.418) 2.331 24.563 ( -1.194 1.413 1.418) 2.331 24.714 ( -0.301 -0.395 0.075) 0.502 24.714 ( -0.301 0.395 0.075) 0.502 24.822 ( 2.667 -5.549 -2.043) 6.487 24.822 ( 2.667 5.549 -2.043) 6.487 25.142 ( 0.834 -9.255 1.409) 9.399 25.142 ( 0.834 9.255 1.409) 9.399 ======================= Grid point 91 (41/80) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 3.893 0.000 24.036) 24.349 1.017 ( -9.518 0.000 27.262) 28.875 1.583 ( -11.194 0.000 -5.229) 12.355 1.646 ( -1.153 0.000 -4.036) 4.198 1.755 ( -6.419 0.000 0.433) 6.433 2.015 ( 9.669 0.000 -20.390) 22.566 2.074 ( -1.340 0.000 3.636) 3.875 2.090 ( 0.350 0.000 -0.782) 0.857 2.318 ( 9.178 0.000 7.840) 12.071 2.364 ( 5.858 0.000 1.382) 6.019 2.484 ( -3.883 0.000 5.695) 6.893 2.527 ( -1.392 0.000 0.701) 1.559 2.567 ( -9.822 0.000 -3.135) 10.310 2.637 ( -3.170 0.000 0.946) 3.308 2.806 ( -2.019 0.000 2.275) 3.042 2.813 ( -0.356 0.000 3.907) 3.923 2.960 ( 3.419 0.000 0.046) 3.420 2.960 ( -5.444 0.000 -2.316) 5.917 3.054 ( 1.701 0.000 -7.863) 8.045 3.116 ( 5.479 0.000 2.510) 6.026 3.159 ( 8.398 0.000 -1.269) 8.493 3.286 ( -6.911 0.000 1.487) 7.069 3.296 ( 3.133 0.000 5.363) 6.211 3.344 ( 1.016 0.000 0.964) 1.401 3.384 ( -0.236 0.000 -2.766) 2.776 3.429 ( 0.122 0.000 2.679) 2.681 3.508 ( 2.598 0.000 2.938) 3.922 3.562 ( -0.634 0.000 2.273) 2.360 3.638 ( 1.938 0.000 -0.362) 1.972 3.674 ( -0.838 0.000 -1.012) 1.314 3.683 ( 0.490 0.000 0.408) 0.637 3.762 ( 1.955 0.000 2.485) 3.162 3.781 ( -1.360 0.000 2.619) 2.951 3.874 ( -4.825 0.000 -3.345) 5.871 3.880 ( 5.304 0.000 -0.340) 5.315 3.957 ( 0.151 0.000 -0.740) 0.755 4.029 ( 0.768 0.000 -8.864) 8.898 4.166 ( 2.253 0.000 -9.379) 9.646 4.198 ( 0.697 0.000 3.658) 3.724 4.224 ( -6.320 0.000 10.918) 12.615 4.309 ( 10.810 0.000 4.460) 11.694 4.347 ( -2.705 0.000 4.192) 4.989 4.385 ( -6.888 0.000 -0.021) 6.888 4.446 ( 1.981 0.000 3.173) 3.741 4.547 ( 1.235 0.000 -12.302) 12.364 4.577 ( 5.955 0.000 -4.187) 7.279 4.589 ( 0.448 0.000 0.236) 0.506 4.650 ( -1.741 0.000 -2.976) 3.448 4.730 ( -2.791 0.000 -0.009) 2.791 4.846 ( 2.740 0.000 -5.836) 6.447 4.870 ( -0.408 0.000 -1.360) 1.420 5.042 ( -2.454 0.000 5.763) 6.264 5.065 ( -5.132 0.000 -11.445) 12.543 5.285 ( 1.041 0.000 -7.017) 7.094 5.303 ( -5.555 0.000 3.669) 6.657 5.321 ( -4.756 0.000 2.724) 5.481 5.436 ( 7.464 0.000 2.059) 7.743 5.570 ( 2.161 0.000 4.046) 4.587 5.675 ( -4.120 0.000 1.159) 4.280 5.724 ( 5.908 0.000 -6.478) 8.768 5.801 ( 1.425 0.000 3.825) 4.082 6.044 ( 7.785 0.000 -6.935) 10.426 6.292 ( -5.968 0.000 4.573) 7.518 6.360 ( -6.697 0.000 0.151) 6.699 6.424 ( 5.382 0.000 -1.224) 5.519 6.505 ( 0.509 0.000 -2.428) 2.481 6.669 ( 5.895 0.000 4.141) 7.204 6.699 ( -3.690 0.000 2.740) 4.596 6.786 ( -5.701 0.000 11.781) 13.088 6.939 ( -0.679 0.000 -0.329) 0.754 6.940 ( 6.513 0.000 -6.303) 9.064 7.199 ( 4.966 0.000 -2.354) 5.496 7.201 ( 0.021 0.000 2.241) 2.241 7.357 ( 3.541 0.000 -4.106) 5.422 7.365 ( 10.365 0.000 5.492) 11.730 7.380 ( -2.352 0.000 0.517) 2.408 7.469 ( 1.860 0.000 -0.854) 2.047 7.695 ( -1.297 0.000 4.527) 4.709 7.701 ( 2.758 0.000 -0.545) 2.812 7.735 ( -8.964 0.000 3.064) 9.473 7.775 ( -0.543 0.000 -8.189) 8.207 7.892 ( -10.135 0.000 -3.627) 10.765 8.115 ( 6.450 0.000 -0.771) 6.496 8.129 ( -3.119 0.000 -2.186) 3.808 8.339 ( -4.671 0.000 9.710) 10.775 8.467 ( 2.116 0.000 4.012) 4.536 8.512 ( 8.912 0.000 6.105) 10.803 8.555 ( 0.692 0.000 3.588) 3.654 8.583 ( 3.170 0.000 1.057) 3.342 8.644 ( -2.572 0.000 8.880) 9.245 8.908 ( 6.171 0.000 -7.450) 9.674 9.012 ( -2.666 0.000 -11.317) 11.627 9.138 ( -4.589 0.000 -4.269) 6.268 9.302 ( -3.803 0.000 -1.784) 4.201 9.342 ( -0.642 0.000 -12.309) 12.326 9.343 ( 4.237 0.000 0.330) 4.250 9.596 ( -2.312 0.000 2.841) 3.662 9.731 ( 0.851 0.000 -0.653) 1.072 9.754 ( -0.368 0.000 -0.560) 0.670 9.786 ( 4.226 0.000 -7.351) 8.480 9.940 ( 0.136 0.000 0.907) 0.917 9.965 ( -1.754 0.000 -0.993) 2.015 10.305 ( -0.825 0.000 3.955) 4.040 10.366 ( -4.924 0.000 4.005) 6.347 10.447 ( -1.008 0.000 -2.374) 2.579 10.502 ( 2.946 0.000 -2.568) 3.908 10.537 ( 2.725 0.000 1.338) 3.036 10.588 ( 4.373 0.000 -0.856) 4.456 10.869 ( -2.493 0.000 5.527) 6.064 10.897 ( 0.719 0.000 -0.594) 0.933 10.977 ( 4.988 0.000 -3.737) 6.233 11.052 ( -1.291 0.000 -2.701) 2.993 11.415 ( 1.451 0.000 9.013) 9.129 11.578 ( -3.739 0.000 1.197) 3.926 11.775 ( -7.328 0.000 4.335) 8.514 11.905 ( 5.625 0.000 -2.674) 6.229 11.980 ( 3.609 0.000 -1.242) 3.817 12.025 ( -5.305 0.000 -4.260) 6.804 12.263 ( 0.866 0.000 3.055) 3.176 12.460 ( -6.637 0.000 -3.451) 7.481 12.527 ( -3.952 0.000 -0.043) 3.952 12.545 ( 16.566 0.000 -3.432) 16.918 12.579 ( -6.674 0.000 5.677) 8.762 12.669 ( 0.178 0.000 -0.020) 0.179 12.911 ( -1.760 0.000 -0.589) 1.856 13.020 ( 4.537 0.000 -4.014) 6.058 13.248 ( 0.510 0.000 0.384) 0.638 13.306 ( -1.735 0.000 -2.617) 3.140 13.512 ( 2.634 0.000 3.715) 4.554 13.602 ( -3.860 0.000 2.464) 4.579 13.724 ( 5.405 0.000 8.982) 10.483 14.142 ( -6.097 0.000 -9.804) 11.545 14.532 ( 7.812 0.000 2.701) 8.265 14.615 ( -7.204 0.000 -1.699) 7.401 14.888 ( 9.588 0.000 0.391) 9.596 14.908 ( -5.460 0.000 -0.291) 5.468 15.309 ( 1.773 0.000 0.289) 1.796 15.359 ( -3.639 0.000 -1.621) 3.984 15.607 ( -0.672 0.000 5.481) 5.522 15.657 ( 6.148 0.000 4.394) 7.557 15.996 ( -5.287 0.000 -0.597) 5.321 16.031 ( 0.029 0.000 -1.353) 1.354 16.154 ( -6.876 0.000 4.036) 7.973 16.376 ( 3.223 0.000 -6.628) 7.370 16.714 ( -1.271 0.000 3.217) 3.459 16.832 ( 1.221 0.000 -2.832) 3.084 17.641 ( -0.428 0.000 1.494) 1.554 17.696 ( 0.517 0.000 -1.175) 1.284 20.884 ( 0.379 0.000 1.205) 1.263 20.942 ( -0.033 0.000 -1.782) 1.783 21.204 ( -3.308 0.000 3.825) 5.057 21.352 ( 7.229 0.000 -3.532) 8.046 21.905 ( 0.340 0.000 1.087) 1.139 21.910 ( 0.394 0.000 1.091) 1.160 21.984 ( 0.986 0.000 -0.149) 0.997 22.027 ( -0.927 0.000 -2.308) 2.487 22.242 ( -3.666 0.000 2.509) 4.442 22.351 ( 0.290 0.000 -4.136) 4.146 22.648 ( -1.854 0.000 0.966) 2.090 22.735 ( 2.899 0.000 -4.462) 5.321 22.936 ( 1.802 0.000 1.850) 2.583 23.061 ( 1.051 0.000 -3.549) 3.702 23.151 ( 0.959 0.000 6.562) 6.631 23.227 ( 5.816 0.000 4.964) 7.646 23.427 ( -2.251 0.000 -0.524) 2.311 23.635 ( -15.361 0.000 -9.501) 18.062 23.939 ( -1.151 0.000 2.108) 2.402 24.015 ( 0.310 0.000 -0.238) 0.390 24.023 ( 1.286 0.000 2.043) 2.414 24.053 ( 3.733 0.000 -1.501) 4.023 24.141 ( -1.738 0.000 1.849) 2.537 24.231 ( 1.519 0.000 -3.027) 3.387 24.511 ( -1.244 0.000 4.495) 4.664 24.566 ( -2.255 0.000 2.728) 3.539 24.637 ( -1.406 0.000 2.065) 2.498 24.663 ( 2.031 0.000 -0.604) 2.119 24.679 ( -3.238 0.000 0.228) 3.246 24.830 ( -0.466 0.000 -4.488) 4.512 25.280 ( 2.534 0.000 3.586) 4.391 25.443 ( 2.787 0.000 -4.435) 5.238 ======================= Grid point 92 (42/80) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -1.771 0.000 15.665) 15.765 1.199 ( 3.058 0.000 16.881) 17.156 1.468 ( -2.846 0.000 14.787) 15.059 1.515 ( 3.758 0.000 -12.908) 13.444 1.673 ( -5.358 0.000 -3.038) 6.159 1.935 ( 2.466 0.000 -14.431) 14.640 2.088 ( -0.043 0.000 1.480) 1.480 2.089 ( -4.406 0.000 -3.197) 5.444 2.292 ( -1.577 0.000 -7.654) 7.815 2.347 ( -3.505 0.000 -3.110) 4.686 2.539 ( 5.498 0.000 4.140) 6.882 2.601 ( -0.441 0.000 5.402) 5.420 2.603 ( 4.604 0.000 3.847) 6.000 2.670 ( 0.980 0.000 -3.048) 3.201 2.845 ( 8.335 0.000 12.511) 15.033 2.863 ( 1.602 0.000 3.251) 3.624 2.992 ( 2.658 0.000 -1.901) 3.268 2.997 ( 0.573 0.000 -1.155) 1.289 3.041 ( 3.023 0.000 14.007) 14.330 3.135 ( -1.636 0.000 -0.420) 1.689 3.229 ( -1.578 0.000 -3.092) 3.471 3.233 ( 0.112 0.000 -3.785) 3.787 3.326 ( -2.945 0.000 0.664) 3.019 3.341 ( -2.747 0.000 1.749) 3.257 3.343 ( 0.861 0.000 -0.843) 1.205 3.462 ( 0.429 0.000 2.927) 2.958 3.568 ( 3.355 0.000 -1.337) 3.612 3.575 ( 0.938 0.000 -2.659) 2.820 3.611 ( 4.314 0.000 -1.454) 4.552 3.679 ( 0.063 0.000 -3.184) 3.185 3.688 ( 1.629 0.000 0.019) 1.629 3.754 ( -3.928 0.000 -3.892) 5.529 3.827 ( 2.777 0.000 4.747) 5.500 3.889 ( -3.076 0.000 -3.048) 4.330 3.909 ( -2.086 0.000 0.121) 2.089 3.967 ( 6.870 0.000 -0.362) 6.879 4.023 ( 7.425 0.000 -5.771) 9.404 4.140 ( 7.639 0.000 -14.878) 16.725 4.226 ( -1.565 0.000 2.850) 3.251 4.234 ( -2.138 0.000 7.474) 7.774 4.244 ( 2.243 0.000 0.583) 2.318 4.377 ( -3.932 0.000 1.567) 4.233 4.400 ( -0.975 0.000 8.640) 8.695 4.505 ( -2.187 0.000 -1.685) 2.761 4.520 ( -0.290 0.000 -3.292) 3.305 4.588 ( -0.312 0.000 -1.892) 1.918 4.661 ( 8.600 0.000 -5.001) 9.948 4.679 ( 9.263 0.000 -3.568) 9.926 4.709 ( 3.242 0.000 0.067) 3.243 4.860 ( 3.621 0.000 -1.657) 3.982 4.913 ( 0.585 0.000 -6.990) 7.014 4.954 ( 6.703 0.000 4.089) 7.851 5.064 ( -2.160 0.000 6.750) 7.087 5.161 ( -15.135 0.000 2.134) 15.285 5.222 ( -6.298 0.000 0.395) 6.310 5.247 ( -0.166 0.000 -3.481) 3.485 5.507 ( -4.575 0.000 4.346) 6.311 5.627 ( 0.036 0.000 1.665) 1.665 5.643 ( 2.358 0.000 -1.248) 2.668 5.705 ( 0.787 0.000 -7.409) 7.450 5.861 ( 0.534 0.000 1.730) 1.811 5.993 ( -0.167 0.000 -10.541) 10.542 6.230 ( -7.326 0.000 6.543) 9.823 6.242 ( -6.326 0.000 2.200) 6.698 6.447 ( -3.154 0.000 4.358) 5.380 6.523 ( 3.637 0.000 -2.471) 4.397 6.632 ( -5.359 0.000 -1.055) 5.461 6.753 ( 1.574 0.000 -0.618) 1.691 6.893 ( -1.483 0.000 -4.164) 4.420 6.902 ( -0.268 0.000 -4.160) 4.169 6.932 ( 2.999 0.000 11.950) 12.321 7.170 ( -11.100 0.000 -2.896) 11.471 7.214 ( -1.434 0.000 1.744) 2.258 7.235 ( 2.241 0.000 -4.880) 5.370 7.441 ( -1.157 0.000 -0.259) 1.186 7.455 ( 4.587 0.000 -1.191) 4.739 7.551 ( -4.289 0.000 -13.547) 14.210 7.574 ( 2.329 0.000 5.353) 5.838 7.684 ( -1.098 0.000 6.485) 6.577 7.727 ( -6.412 0.000 2.394) 6.845 7.807 ( 8.094 0.000 3.866) 8.970 7.883 ( 8.276 0.000 2.202) 8.564 8.062 ( -1.721 0.000 -2.074) 2.695 8.200 ( 4.287 0.000 -2.301) 4.865 8.330 ( -4.544 0.000 6.352) 7.810 8.510 ( -0.470 0.000 -0.003) 0.470 8.520 ( -7.954 0.000 5.897) 9.902 8.561 ( -3.381 0.000 -6.713) 7.517 8.654 ( -0.134 0.000 -1.568) 1.574 8.746 ( 2.812 0.000 9.019) 9.447 8.876 ( 0.571 0.000 -4.189) 4.228 8.922 ( 5.961 0.000 -11.756) 13.180 9.172 ( 9.005 0.000 2.856) 9.447 9.223 ( -3.636 0.000 1.167) 3.819 9.310 ( 6.731 0.000 -5.177) 8.492 9.392 ( 2.116 0.000 -1.744) 2.742 9.588 ( -1.136 0.000 1.604) 1.965 9.725 ( -2.276 0.000 1.301) 2.621 9.770 ( 3.597 0.000 -0.081) 3.598 9.781 ( 1.946 0.000 -4.854) 5.229 9.959 ( 2.657 0.000 -1.229) 2.928 9.970 ( 2.256 0.000 0.944) 2.446 10.281 ( -9.873 0.000 5.263) 11.188 10.331 ( -1.027 0.000 2.878) 3.056 10.405 ( -0.065 0.000 -1.864) 1.865 10.453 ( -5.807 0.000 -1.811) 6.082 10.561 ( 1.230 0.000 -2.411) 2.707 10.582 ( -1.049 0.000 -3.471) 3.626 10.832 ( -5.621 0.000 -2.719) 6.244 10.858 ( -1.908 0.000 1.635) 2.513 11.008 ( -0.857 0.000 1.017) 1.330 11.017 ( -0.471 0.000 -2.299) 2.347 11.516 ( -0.014 0.000 0.145) 0.146 11.527 ( 0.710 0.000 6.262) 6.302 11.604 ( -12.959 0.000 4.446) 13.701 11.871 ( -7.533 0.000 -5.117) 9.107 12.031 ( 6.489 0.000 -2.438) 6.932 12.071 ( -0.464 0.000 3.194) 3.228 12.240 ( -2.356 0.000 0.926) 2.531 12.397 ( 5.038 0.000 -5.399) 7.384 12.531 ( 0.768 0.000 3.011) 3.107 12.569 ( 1.141 0.000 3.279) 3.472 12.654 ( 2.090 0.000 -0.802) 2.238 12.818 ( 13.920 0.000 -2.900) 14.219 12.886 ( -0.484 0.000 -0.283) 0.561 13.020 ( 0.145 0.000 -3.079) 3.083 13.258 ( -1.472 0.000 -0.611) 1.593 13.299 ( 4.444 0.000 -0.275) 4.453 13.578 ( 0.620 0.000 -1.291) 1.432 13.625 ( 5.127 0.000 3.520) 6.219 13.934 ( 5.812 0.000 11.242) 12.655 13.941 ( -4.775 0.000 -9.318) 10.471 14.463 ( -7.684 0.000 -2.006) 7.941 14.678 ( 5.731 0.000 2.127) 6.113 14.773 ( -7.013 0.000 -1.466) 7.164 15.029 ( 5.533 0.000 -2.161) 5.940 15.315 ( 1.233 0.000 -0.929) 1.544 15.386 ( 4.453 0.000 1.661) 4.753 15.605 ( -3.214 0.000 1.100) 3.398 15.779 ( 4.577 0.000 -2.980) 5.461 15.938 ( -2.437 0.000 6.411) 6.858 16.037 ( 1.400 0.000 -0.160) 1.409 16.121 ( -3.347 0.000 4.865) 5.905 16.390 ( 5.111 0.000 -4.484) 6.799 16.721 ( -1.731 0.000 3.133) 3.579 16.817 ( 0.593 0.000 -2.854) 2.915 17.648 ( -0.621 0.000 1.375) 1.508 17.690 ( 0.310 0.000 -1.311) 1.347 20.910 ( 0.896 0.000 1.346) 1.617 20.928 ( 0.770 0.000 -1.830) 1.985 21.197 ( -1.840 0.000 3.503) 3.957 21.456 ( 10.480 0.000 -7.698) 13.003 21.920 ( 0.259 0.000 0.437) 0.508 21.925 ( 0.666 0.000 -0.178) 0.689 21.991 ( -0.576 0.000 -1.649) 1.747 22.009 ( 1.781 0.000 0.270) 1.802 22.216 ( -2.689 0.000 3.183) 4.167 22.336 ( 0.826 0.000 -0.212) 0.853 22.627 ( -1.173 0.000 -0.180) 1.187 22.753 ( 3.500 0.000 -2.731) 4.439 22.991 ( 1.397 0.000 2.310) 2.700 23.007 ( -0.870 0.000 -5.983) 6.046 23.174 ( -7.095 0.000 1.037) 7.170 23.279 ( -0.818 0.000 -3.989) 4.072 23.391 ( -4.477 0.000 4.054) 6.040 23.491 ( 3.562 0.000 9.855) 10.479 23.910 ( -3.489 0.000 1.262) 3.710 24.009 ( 0.115 0.000 -2.125) 2.128 24.065 ( 1.710 0.000 -0.859) 1.914 24.082 ( 1.778 0.000 -1.552) 2.360 24.130 ( -2.000 0.000 1.500) 2.500 24.228 ( 1.600 0.000 -1.971) 2.539 24.539 ( -2.063 0.000 -0.114) 2.066 24.551 ( -1.851 0.000 8.346) 8.549 24.623 ( -1.176 0.000 0.155) 1.186 24.668 ( -1.903 0.000 5.395) 5.721 24.696 ( 2.391 0.000 -0.959) 2.576 24.780 ( 0.159 0.000 -4.198) 4.201 25.282 ( -3.481 0.000 0.828) 3.578 25.408 ( -0.806 0.000 -5.319) 5.380 ======================= Grid point 93 (43/80) ======================= q-point: ( 0.33 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 8.103 0.000 -6.744) 10.543 1.376 ( 2.717 0.000 17.497) 17.707 1.499 ( -9.738 0.000 -0.307) 9.743 1.640 ( 7.558 0.000 8.629) 11.471 1.674 ( -17.448 0.000 4.362) 17.985 1.771 ( 5.583 0.000 9.798) 11.277 1.962 ( 5.216 0.000 -9.577) 10.905 2.119 ( 0.640 0.000 3.313) 3.374 2.248 ( -3.350 0.000 -3.481) 4.831 2.329 ( 6.874 0.000 -4.826) 8.399 2.539 ( -6.122 0.000 2.413) 6.581 2.600 ( -2.307 0.000 3.277) 4.007 2.709 ( 3.363 0.000 -1.603) 3.725 2.722 ( 0.532 0.000 2.282) 2.344 2.909 ( 3.969 0.000 -7.923) 8.862 2.969 ( 1.313 0.000 -5.419) 5.575 2.984 ( 2.001 0.000 1.199) 2.333 3.025 ( 3.093 0.000 -4.682) 5.611 3.120 ( -4.068 0.000 -2.234) 4.641 3.148 ( -1.605 0.000 1.794) 2.407 3.227 ( 6.925 0.000 3.530) 7.773 3.277 ( 3.766 0.000 -0.438) 3.792 3.291 ( -1.333 0.000 4.870) 5.049 3.379 ( 2.388 0.000 -0.047) 2.389 3.441 ( 5.742 0.000 16.072) 17.067 3.502 ( -0.406 0.000 -3.296) 3.321 3.541 ( 4.063 0.000 -2.841) 4.957 3.562 ( -6.855 0.000 -4.227) 8.053 3.571 ( -1.078 0.000 2.031) 2.299 3.704 ( 4.498 0.000 -1.695) 4.806 3.719 ( 1.642 0.000 0.576) 1.740 3.765 ( 5.094 0.000 1.115) 5.214 3.820 ( -2.432 0.000 -3.316) 4.112 3.873 ( 2.540 0.000 -0.583) 2.606 3.888 ( 0.717 0.000 1.631) 1.781 3.987 ( -4.538 0.000 -5.333) 7.003 4.090 ( 0.355 0.000 4.303) 4.318 4.126 ( 11.439 0.000 -8.158) 14.050 4.165 ( -0.512 0.000 -7.244) 7.262 4.251 ( -14.241 0.000 4.750) 15.013 4.312 ( 2.875 0.000 4.583) 5.410 4.387 ( -3.218 0.000 -3.318) 4.622 4.474 ( -3.068 0.000 -3.178) 4.418 4.475 ( 1.483 0.000 5.059) 5.272 4.537 ( 12.250 0.000 1.847) 12.389 4.555 ( -2.949 0.000 -5.360) 6.118 4.641 ( 4.446 0.000 -0.715) 4.503 4.715 ( -2.625 0.000 -5.623) 6.205 4.818 ( 4.049 0.000 -0.115) 4.051 4.823 ( -1.162 0.000 -3.679) 3.858 4.919 ( -7.565 0.000 -0.847) 7.612 5.010 ( 7.618 0.000 2.119) 7.907 5.067 ( -0.550 0.000 3.074) 3.123 5.158 ( 3.662 0.000 8.967) 9.686 5.193 ( 2.006 0.000 7.187) 7.461 5.253 ( 6.779 0.000 -5.755) 8.892 5.419 ( -7.725 0.000 1.767) 7.925 5.571 ( 0.677 0.000 -8.219) 8.246 5.676 ( -3.736 0.000 4.714) 6.015 5.694 ( 2.829 0.000 -0.158) 2.834 5.834 ( -1.966 0.000 -2.670) 3.316 5.875 ( -2.195 0.000 -7.490) 7.805 6.175 ( -7.051 0.000 4.624) 8.432 6.203 ( -3.304 0.000 3.137) 4.556 6.424 ( -5.279 0.000 4.716) 7.079 6.550 ( -1.578 0.000 -0.101) 1.581 6.552 ( 3.535 0.000 -4.647) 5.839 6.730 ( -0.839 0.000 -3.559) 3.656 6.830 ( -4.267 0.000 -0.417) 4.288 6.861 ( 1.978 0.000 -6.574) 6.865 6.957 ( -7.464 0.000 -3.956) 8.447 6.976 ( -8.215 0.000 4.071) 9.169 7.182 ( -1.001 0.000 -4.183) 4.301 7.246 ( 0.749 0.000 0.687) 1.016 7.374 ( -0.546 0.000 -9.999) 10.014 7.402 ( -1.661 0.000 0.219) 1.675 7.494 ( 2.784 0.000 -1.817) 3.325 7.646 ( 1.740 0.000 4.254) 4.596 7.728 ( 0.839 0.000 6.213) 6.270 7.779 ( -1.502 0.000 12.104) 12.197 7.986 ( -1.244 0.000 3.025) 3.270 7.987 ( 8.429 0.000 0.559) 8.448 8.061 ( 4.182 0.000 -1.595) 4.476 8.182 ( -3.031 0.000 -3.482) 4.617 8.340 ( 0.426 0.000 2.833) 2.865 8.395 ( -1.023 0.000 -7.889) 7.955 8.439 ( -7.348 0.000 5.311) 9.066 8.540 ( 2.349 0.000 -1.867) 3.001 8.601 ( -1.778 0.000 -1.016) 2.047 8.847 ( -1.582 0.000 4.904) 5.153 8.857 ( 2.864 0.000 -7.411) 7.945 8.913 ( 5.887 0.000 -8.715) 10.517 9.184 ( -2.645 0.000 2.963) 3.972 9.314 ( 0.401 0.000 1.709) 1.755 9.423 ( 4.359 0.000 0.963) 4.464 9.436 ( 7.023 0.000 1.209) 7.127 9.602 ( 0.829 0.000 2.920) 3.035 9.674 ( -5.756 0.000 2.379) 6.228 9.802 ( 2.783 0.000 1.099) 2.992 9.840 ( 5.732 0.000 -2.112) 6.108 10.023 ( 6.495 0.000 -2.185) 6.853 10.027 ( 2.414 0.000 1.348) 2.765 10.193 ( -4.673 0.000 3.017) 5.562 10.256 ( -6.619 0.000 -1.908) 6.888 10.383 ( -1.864 0.000 1.150) 2.190 10.393 ( -0.963 0.000 0.176) 0.979 10.504 ( -2.110 0.000 -4.597) 5.058 10.540 ( 0.736 0.000 -4.662) 4.720 10.725 ( -1.072 0.000 -4.703) 4.824 10.829 ( -2.692 0.000 -0.305) 2.709 10.961 ( -5.158 0.000 0.632) 5.196 10.973 ( -1.629 0.000 -1.983) 2.566 11.394 ( -9.438 0.000 1.172) 9.510 11.582 ( 7.321 0.000 -0.867) 7.372 11.657 ( 0.213 0.000 9.106) 9.108 11.675 ( -8.204 0.000 -5.336) 9.786 11.953 ( -11.122 0.000 1.767) 11.261 12.064 ( 1.939 0.000 -3.251) 3.786 12.297 ( 2.489 0.000 3.180) 4.039 12.476 ( 9.300 0.000 -6.029) 11.083 12.560 ( -2.881 0.000 7.963) 8.468 12.661 ( 4.572 0.000 1.053) 4.691 12.686 ( 2.128 0.000 -0.005) 2.128 12.893 ( 2.356 0.000 -1.270) 2.676 12.929 ( -1.041 0.000 -1.093) 1.509 13.016 ( 7.320 0.000 -6.186) 9.584 13.254 ( -0.304 0.000 2.954) 2.970 13.366 ( 3.621 0.000 -0.580) 3.667 13.577 ( 0.475 0.000 -2.331) 2.379 13.682 ( -2.425 0.000 -2.153) 3.243 13.862 ( 5.765 0.000 -2.647) 6.344 14.104 ( -0.031 0.000 7.550) 7.551 14.333 ( -3.702 0.000 -0.522) 3.739 14.723 ( 0.756 0.000 4.775) 4.834 14.736 ( -0.572 0.000 -1.314) 1.434 15.068 ( 3.597 0.000 -1.176) 3.784 15.365 ( 3.448 0.000 0.475) 3.480 15.455 ( 1.675 0.000 0.111) 1.679 15.541 ( -3.165 0.000 -1.716) 3.600 15.723 ( -1.735 0.000 -9.025) 9.190 16.038 ( 3.451 0.000 4.863) 5.963 16.063 ( 0.996 0.000 0.654) 1.191 16.138 ( -2.111 0.000 9.213) 9.452 16.448 ( 4.988 0.000 -2.193) 5.449 16.718 ( -2.286 0.000 2.877) 3.675 16.800 ( 0.760 0.000 -2.606) 2.714 17.647 ( -0.926 0.000 1.098) 1.436 17.683 ( 0.484 0.000 -1.283) 1.371 20.933 ( 1.600 0.000 -1.333) 2.082 20.934 ( 0.176 0.000 0.998) 1.013 21.213 ( -1.170 0.000 4.374) 4.528 21.536 ( 9.462 0.000 -10.041) 13.797 21.915 ( -0.441 0.000 -0.783) 0.898 21.928 ( 0.755 0.000 -1.590) 1.760 21.987 ( 1.130 0.000 0.108) 1.135 22.041 ( 1.618 0.000 -0.394) 1.665 22.218 ( -1.793 0.000 4.653) 4.987 22.383 ( 2.433 0.000 4.060) 4.734 22.603 ( -1.070 0.000 -0.689) 1.272 22.797 ( 4.060 0.000 -1.396) 4.293 22.920 ( -3.079 0.000 -4.199) 5.207 23.008 ( -1.138 0.000 0.081) 1.141 23.031 ( -6.643 0.000 0.268) 6.649 23.204 ( -1.489 0.000 -5.941) 6.124 23.469 ( 2.851 0.000 7.234) 7.776 23.599 ( -3.855 0.000 7.863) 8.758 23.874 ( -1.490 0.000 1.135) 1.873 23.968 ( -0.663 0.000 -4.666) 4.713 24.056 ( 0.306 0.000 -3.281) 3.295 24.089 ( 0.903 0.000 -2.130) 2.313 24.113 ( -2.156 0.000 3.479) 4.093 24.258 ( 2.319 0.000 0.545) 2.382 24.518 ( -0.085 0.000 0.478) 0.485 24.614 ( -2.482 0.000 10.755) 11.037 24.619 ( -0.095 0.000 1.140) 1.144 24.694 ( -2.099 0.000 6.210) 6.555 24.714 ( 1.252 0.000 -2.108) 2.452 24.758 ( 1.601 0.000 -2.865) 3.282 25.206 ( -4.536 0.000 -1.658) 4.829 25.327 ( -0.120 0.000 -7.341) 7.342 ======================= Grid point 94 (44/80) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -25.317 0.000 0.685) 25.327 1.290 ( -18.919 0.000 9.095) 20.992 1.395 ( 17.130 0.000 -4.515) 17.715 1.670 ( 10.342 0.000 12.068) 15.893 1.871 ( 4.763 0.000 9.460) 10.591 1.986 ( 9.161 0.000 -4.696) 10.295 2.067 ( 5.831 0.000 8.624) 10.411 2.151 ( -5.983 0.000 5.458) 8.099 2.210 ( 5.710 0.000 -1.491) 5.901 2.362 ( 2.597 0.000 -3.056) 4.011 2.493 ( 0.433 0.000 -2.348) 2.388 2.563 ( -7.044 0.000 -5.966) 9.231 2.631 ( -2.742 0.000 2.524) 3.727 2.731 ( 0.288 0.000 1.060) 1.098 2.860 ( 1.283 0.000 -7.400) 7.511 2.864 ( -8.681 0.000 1.141) 8.755 2.963 ( -6.240 0.000 -4.044) 7.436 2.998 ( 1.789 0.000 -6.448) 6.692 3.128 ( -4.254 0.000 -0.308) 4.265 3.133 ( 4.366 0.000 3.354) 5.505 3.270 ( -6.465 0.000 -2.743) 7.023 3.300 ( 2.092 0.000 -5.569) 5.948 3.355 ( -3.089 0.000 5.242) 6.084 3.427 ( 4.635 0.000 3.570) 5.850 3.457 ( 1.514 0.000 -3.237) 3.574 3.459 ( -8.891 0.000 -1.611) 9.036 3.546 ( 1.164 0.000 4.997) 5.131 3.642 ( 2.852 0.000 5.990) 6.634 3.696 ( 0.740 0.000 7.361) 7.398 3.721 ( 7.173 0.000 -0.164) 7.175 3.730 ( 3.827 0.000 2.382) 4.508 3.825 ( 2.680 0.000 -0.146) 2.684 3.843 ( 1.654 0.000 -2.537) 3.029 3.889 ( 0.725 0.000 -5.039) 5.091 3.924 ( 0.503 0.000 3.090) 3.131 3.942 ( 1.689 0.000 -0.203) 1.702 4.039 ( -7.374 0.000 1.288) 7.485 4.058 ( -7.078 0.000 0.010) 7.078 4.089 ( 1.059 0.000 -3.554) 3.709 4.171 ( -2.097 0.000 -4.916) 5.344 4.205 ( -9.623 0.000 -6.147) 11.419 4.366 ( 6.222 0.000 -5.721) 8.453 4.366 ( -1.527 0.000 -0.994) 1.822 4.430 ( -4.436 0.000 -6.421) 7.805 4.560 ( 1.002 0.000 2.435) 2.633 4.584 ( -0.217 0.000 0.891) 0.917 4.686 ( 5.558 0.000 -3.377) 6.503 4.731 ( -0.274 0.000 -4.672) 4.680 4.858 ( 3.310 0.000 1.117) 3.493 4.871 ( 3.169 0.000 0.684) 3.242 5.001 ( 3.325 0.000 9.578) 10.138 5.084 ( 5.136 0.000 3.863) 6.427 5.102 ( 3.384 0.000 -0.681) 3.452 5.238 ( -3.840 0.000 5.989) 7.114 5.305 ( 4.994 0.000 -2.497) 5.583 5.339 ( -2.368 0.000 3.726) 4.415 5.412 ( 9.455 0.000 4.042) 10.283 5.575 ( 6.020 0.000 -4.832) 7.719 5.620 ( -5.452 0.000 1.794) 5.740 5.703 ( -0.365 0.000 -3.070) 3.092 5.771 ( -2.026 0.000 -2.830) 3.481 5.796 ( 0.264 0.000 -5.119) 5.126 6.036 ( -7.722 0.000 -2.603) 8.149 6.150 ( -3.737 0.000 -0.725) 3.807 6.439 ( -1.024 0.000 10.016) 10.068 6.550 ( 1.742 0.000 -3.440) 3.856 6.577 ( 3.132 0.000 1.963) 3.697 6.653 ( -4.039 0.000 -4.045) 5.716 6.739 ( -4.535 0.000 -1.398) 4.745 6.778 ( -5.759 0.000 -4.104) 7.072 6.876 ( 2.280 0.000 -1.932) 2.988 6.891 ( 1.489 0.000 -2.821) 3.190 7.094 ( -4.575 0.000 -3.406) 5.703 7.222 ( -1.683 0.000 -2.034) 2.641 7.351 ( 2.992 0.000 -2.283) 3.763 7.390 ( -0.488 0.000 -0.646) 0.810 7.596 ( 9.020 0.000 4.057) 9.890 7.696 ( -3.895 0.000 4.423) 5.893 7.818 ( -4.373 0.000 5.648) 7.143 7.842 ( 1.662 0.000 8.938) 9.091 7.952 ( -4.805 0.000 1.600) 5.065 8.033 ( -3.397 0.000 -0.091) 3.398 8.096 ( 2.626 0.000 -2.628) 3.716 8.112 ( 0.369 0.000 -2.626) 2.652 8.344 ( 1.992 0.000 -4.687) 5.093 8.389 ( 2.892 0.000 -2.076) 3.560 8.405 ( -5.348 0.000 10.369) 11.667 8.541 ( -0.227 0.000 -3.225) 3.233 8.564 ( -2.260 0.000 -2.125) 3.102 8.783 ( -8.089 0.000 2.031) 8.341 8.878 ( 7.804 0.000 -9.507) 12.300 8.933 ( 6.809 0.000 -3.468) 7.641 9.204 ( 1.169 0.000 2.951) 3.174 9.293 ( -0.817 0.000 -1.769) 1.948 9.489 ( 0.522 0.000 1.002) 1.130 9.504 ( 0.936 0.000 0.223) 0.962 9.601 ( -7.555 0.000 7.014) 10.309 9.686 ( 2.972 0.000 4.576) 5.457 9.868 ( 3.655 0.000 -0.355) 3.672 9.902 ( 4.499 0.000 -4.450) 6.328 10.038 ( -2.989 0.000 0.673) 3.064 10.124 ( 7.424 0.000 -1.756) 7.629 10.168 ( -2.508 0.000 1.746) 3.056 10.200 ( 1.371 0.000 1.235) 1.845 10.347 ( -1.949 0.000 -1.339) 2.365 10.372 ( -1.336 0.000 1.004) 1.671 10.448 ( 0.893 0.000 -4.729) 4.813 10.497 ( -0.041 0.000 -4.215) 4.215 10.724 ( 5.168 0.000 -2.019) 5.548 10.749 ( -4.868 0.000 -2.114) 5.308 10.895 ( -1.273 0.000 -0.658) 1.433 10.939 ( 0.622 0.000 -2.333) 2.415 11.322 ( -2.003 0.000 4.129) 4.590 11.509 ( -4.466 0.000 -4.724) 6.501 11.657 ( -9.254 0.000 4.587) 10.328 11.732 ( 10.391 0.000 -0.017) 10.391 11.878 ( 0.966 0.000 3.341) 3.478 12.054 ( 2.182 0.000 -5.097) 5.544 12.336 ( -2.070 0.000 3.436) 4.011 12.556 ( 7.046 0.000 -6.298) 9.450 12.605 ( -2.706 0.000 9.979) 10.339 12.707 ( -0.697 0.000 0.980) 1.203 12.711 ( 0.014 0.000 -0.537) 0.538 12.867 ( -3.200 0.000 0.388) 3.223 12.940 ( 4.688 0.000 -2.089) 5.133 13.041 ( 4.382 0.000 -10.471) 11.351 13.305 ( 0.706 0.000 5.822) 5.864 13.415 ( 1.807 0.000 0.781) 1.968 13.523 ( -3.922 0.000 -2.265) 4.529 13.578 ( -3.641 0.000 -4.352) 5.674 13.999 ( 8.753 0.000 1.642) 8.906 14.031 ( -9.533 0.000 0.496) 9.546 14.401 ( 5.908 0.000 5.272) 7.918 14.639 ( -5.253 0.000 -5.903) 7.902 14.869 ( 4.739 0.000 10.160) 11.211 15.144 ( 4.787 0.000 -0.445) 4.807 15.415 ( 0.977 0.000 1.132) 1.495 15.427 ( -2.609 0.000 -1.718) 3.124 15.492 ( -1.089 0.000 -1.800) 2.104 15.568 ( -3.547 0.000 -10.883) 11.447 16.079 ( 0.051 0.000 0.635) 0.637 16.088 ( 0.454 0.000 0.401) 0.605 16.264 ( 2.329 0.000 11.705) 11.934 16.489 ( 2.231 0.000 -2.617) 3.438 16.705 ( -2.364 0.000 2.600) 3.514 16.790 ( 1.035 0.000 -2.290) 2.513 17.640 ( -1.035 0.000 0.937) 1.396 17.682 ( 0.876 0.000 -1.116) 1.418 20.932 ( -1.249 0.000 0.469) 1.334 20.951 ( 1.605 0.000 -0.783) 1.786 21.237 ( -2.330 0.000 5.450) 5.927 21.566 ( 7.135 0.000 -12.311) 14.229 21.899 ( -0.560 0.000 -0.466) 0.728 21.920 ( 0.435 0.000 -1.816) 1.867 22.021 ( 2.072 0.000 0.565) 2.148 22.044 ( -0.210 0.000 -1.813) 1.826 22.245 ( -1.541 0.000 5.718) 5.922 22.481 ( 4.256 0.000 -0.830) 4.336 22.596 ( -0.845 0.000 6.477) 6.532 22.836 ( -4.137 0.000 1.608) 4.438 22.856 ( 3.884 0.000 -1.053) 4.024 22.957 ( -2.846 0.000 -3.049) 4.171 22.971 ( -1.464 0.000 0.672) 1.611 23.102 ( -2.400 0.000 -6.726) 7.142 23.560 ( -5.559 0.000 3.970) 6.831 23.602 ( 5.302 0.000 4.958) 7.260 23.863 ( -0.824 0.000 -0.222) 0.853 23.909 ( -0.224 0.000 -4.295) 4.301 24.029 ( -0.154 0.000 -1.561) 1.568 24.063 ( -0.907 0.000 -1.773) 1.991 24.145 ( 0.151 0.000 5.373) 5.375 24.281 ( -0.119 0.000 -0.699) 0.709 24.549 ( 0.723 0.000 3.243) 3.323 24.629 ( -1.272 0.000 2.161) 2.508 24.686 ( -2.952 0.000 11.538) 11.909 24.697 ( -0.068 0.000 -1.642) 1.644 24.734 ( -0.853 0.000 6.456) 6.512 24.767 ( 1.553 0.000 -1.972) 2.510 25.095 ( -4.008 0.000 -5.835) 7.079 25.283 ( 5.002 0.000 -8.324) 9.711 ======================= Grid point 95 (45/80) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -22.817 0.000 6.778) 23.803 1.084 ( -20.328 0.000 18.421) 27.432 1.683 ( 16.871 0.000 0.761) 16.888 1.864 ( -16.421 0.000 8.964) 18.708 1.931 ( 13.131 0.000 -1.083) 13.176 2.054 ( 1.952 0.000 -4.854) 5.232 2.101 ( -5.998 0.000 3.222) 6.809 2.157 ( 0.633 0.000 -0.641) 0.901 2.270 ( -0.425 0.000 -2.680) 2.713 2.273 ( -2.922 0.000 -19.158) 19.380 2.457 ( 1.415 0.000 6.625) 6.775 2.510 ( 1.326 0.000 2.720) 3.026 2.680 ( -0.139 0.000 8.041) 8.042 2.699 ( -7.688 0.000 7.120) 10.478 2.826 ( 2.923 0.000 1.154) 3.143 2.837 ( -1.806 0.000 4.046) 4.430 2.878 ( 2.839 0.000 -6.243) 6.858 2.922 ( -4.350 0.000 -4.079) 5.964 3.015 ( -9.277 0.000 -0.258) 9.281 3.053 ( 3.413 0.000 -0.958) 3.545 3.142 ( -5.664 0.000 -4.741) 7.386 3.314 ( 2.659 0.000 -0.683) 2.745 3.324 ( -4.003 0.000 -1.457) 4.260 3.425 ( -4.738 0.000 6.934) 8.398 3.454 ( 5.234 0.000 -4.785) 7.092 3.482 ( -1.493 0.000 -2.919) 3.279 3.568 ( -2.694 0.000 2.216) 3.488 3.640 ( -6.423 0.000 -4.339) 7.751 3.685 ( 0.190 0.000 1.409) 1.422 3.728 ( -2.181 0.000 -1.924) 2.908 3.776 ( -7.814 0.000 -1.903) 8.042 3.776 ( -3.136 0.000 -3.184) 4.469 3.873 ( 1.138 0.000 -3.242) 3.436 3.887 ( -7.337 0.000 -0.465) 7.352 3.941 ( 2.852 0.000 -3.023) 4.156 3.958 ( 4.754 0.000 5.462) 7.241 3.991 ( -2.480 0.000 0.281) 2.496 4.012 ( 6.997 0.000 2.476) 7.422 4.081 ( -3.427 0.000 7.114) 7.897 4.186 ( 6.681 0.000 -1.665) 6.885 4.193 ( 5.717 0.000 3.565) 6.737 4.299 ( 1.080 0.000 -2.989) 3.178 4.357 ( 1.165 0.000 4.818) 4.957 4.412 ( -1.103 0.000 -0.017) 1.103 4.531 ( -10.125 0.000 3.551) 10.730 4.602 ( -2.088 0.000 0.657) 2.189 4.652 ( -0.409 0.000 -3.274) 3.299 4.797 ( 8.293 0.000 -1.841) 8.495 4.904 ( -0.952 0.000 -0.248) 0.983 4.921 ( 7.237 0.000 -4.591) 8.570 4.970 ( -6.838 0.000 3.853) 7.849 5.090 ( -3.125 0.000 -1.530) 3.480 5.148 ( 5.909 0.000 -3.980) 7.124 5.299 ( 0.418 0.000 -8.705) 8.715 5.336 ( -2.653 0.000 2.941) 3.961 5.469 ( 4.055 0.000 6.613) 7.757 5.500 ( 0.276 0.000 -1.796) 1.817 5.535 ( 0.142 0.000 -11.151) 11.152 5.591 ( 1.073 0.000 -3.288) 3.459 5.606 ( -2.261 0.000 -1.513) 2.720 5.734 ( 0.781 0.000 -0.517) 0.936 5.772 ( 4.364 0.000 -1.432) 4.593 6.048 ( 2.166 0.000 11.290) 11.496 6.147 ( 6.225 0.000 2.069) 6.560 6.516 ( -5.926 0.000 -1.385) 6.085 6.524 ( -2.264 0.000 4.146) 4.724 6.571 ( 1.823 0.000 0.369) 1.860 6.661 ( -3.491 0.000 -0.873) 3.598 6.672 ( 2.304 0.000 3.572) 4.251 6.733 ( 7.449 0.000 2.163) 7.757 6.922 ( 5.286 0.000 -3.305) 6.234 6.967 ( -7.684 0.000 -0.202) 7.687 6.983 ( 9.758 0.000 0.893) 9.799 7.188 ( -0.722 0.000 -0.557) 0.912 7.357 ( -2.401 0.000 -1.701) 2.942 7.382 ( 2.325 0.000 -0.895) 2.491 7.558 ( -9.425 0.000 -1.599) 9.560 7.804 ( -5.727 0.000 3.843) 6.897 7.812 ( -3.997 0.000 3.998) 5.653 7.842 ( 6.582 0.000 2.756) 7.136 7.975 ( -5.284 0.000 2.634) 5.904 7.994 ( 3.215 0.000 5.866) 6.689 8.054 ( -2.516 0.000 -3.047) 3.951 8.123 ( 3.747 0.000 -0.864) 3.845 8.349 ( -5.228 0.000 -3.256) 6.159 8.361 ( 1.409 0.000 1.000) 1.728 8.424 ( -4.569 0.000 4.002) 6.074 8.470 ( -4.575 0.000 3.690) 5.878 8.488 ( 0.034 0.000 -3.764) 3.764 8.701 ( -3.578 0.000 1.420) 3.850 8.880 ( 5.090 0.000 -8.873) 10.229 9.068 ( 9.281 0.000 -4.065) 10.132 9.265 ( -0.180 0.000 -1.647) 1.657 9.266 ( 2.612 0.000 2.010) 3.297 9.439 ( -6.210 0.000 0.032) 6.210 9.512 ( 0.569 0.000 -0.356) 0.671 9.601 ( -2.032 0.000 8.464) 8.705 9.749 ( -0.038 0.000 0.928) 0.929 9.871 ( -2.469 0.000 -5.768) 6.274 9.899 ( 3.207 0.000 -5.954) 6.763 9.985 ( -3.065 0.000 0.382) 3.089 10.107 ( -3.963 0.000 -1.668) 4.300 10.242 ( -1.414 0.000 5.030) 5.225 10.245 ( 7.766 0.000 -0.141) 7.767 10.351 ( 5.692 0.000 -2.483) 6.210 10.380 ( -0.783 0.000 2.992) 3.092 10.433 ( 2.304 0.000 -3.118) 3.876 10.460 ( 0.155 0.000 -2.985) 2.989 10.682 ( 1.929 0.000 -2.277) 2.984 10.827 ( 5.937 0.000 -0.105) 5.938 10.903 ( 2.064 0.000 0.024) 2.064 10.961 ( 4.883 0.000 -0.910) 4.967 11.354 ( -3.794 0.000 6.565) 7.583 11.437 ( -0.331 0.000 -1.328) 1.368 11.586 ( 0.170 0.000 3.023) 3.028 11.915 ( 9.989 0.000 -1.076) 10.047 11.961 ( 3.644 0.000 2.394) 4.360 12.051 ( 5.405 0.000 -5.734) 7.880 12.298 ( -5.571 0.000 2.270) 6.015 12.560 ( 0.728 0.000 -9.523) 9.550 12.657 ( -4.315 0.000 10.608) 11.452 12.659 ( -3.986 0.000 1.065) 4.126 12.672 ( -3.963 0.000 0.978) 4.082 12.871 ( 2.089 0.000 0.027) 2.090 12.959 ( 1.119 0.000 -13.133) 13.181 12.980 ( 2.278 0.000 -3.157) 3.893 13.379 ( 0.318 0.000 3.955) 3.968 13.392 ( -3.833 0.000 -3.015) 4.877 13.439 ( -3.490 0.000 3.129) 4.687 13.520 ( -0.994 0.000 0.624) 1.174 13.865 ( -9.360 0.000 -0.490) 9.373 14.171 ( 8.664 0.000 2.231) 8.946 14.470 ( -5.760 0.000 -6.851) 8.951 14.572 ( 6.255 0.000 5.883) 8.587 14.995 ( -1.479 0.000 5.340) 5.540 15.113 ( -4.007 0.000 -12.837) 13.448 15.411 ( 0.861 0.000 3.630) 3.731 15.417 ( 0.708 0.000 1.442) 1.606 15.436 ( -2.594 0.000 -2.513) 3.612 15.468 ( -0.527 0.000 -1.041) 1.167 16.076 ( -0.794 0.000 0.152) 0.809 16.088 ( -0.439 0.000 -0.175) 0.473 16.388 ( 0.529 0.000 3.755) 3.792 16.467 ( 0.396 0.000 -5.414) 5.429 16.697 ( -1.791 0.000 2.858) 3.373 16.792 ( 1.645 0.000 -1.005) 1.928 17.634 ( -0.838 0.000 1.050) 1.343 17.688 ( 1.071 0.000 -0.987) 1.456 20.906 ( -1.991 0.000 0.238) 2.005 20.965 ( 0.773 0.000 -0.767) 1.089 21.241 ( -3.771 0.000 5.533) 6.696 21.501 ( 0.630 0.000 -14.199) 14.213 21.889 ( -0.407 0.000 0.223) 0.464 21.905 ( -0.445 0.000 -0.856) 0.965 22.004 ( -1.685 0.000 -1.311) 2.135 22.056 ( 1.415 0.000 -0.198) 1.429 22.274 ( -2.219 0.000 5.709) 6.125 22.463 ( 1.377 0.000 -7.772) 7.893 22.682 ( -2.619 0.000 6.905) 7.385 22.839 ( -1.542 0.000 -7.852) 8.002 22.877 ( 4.144 0.000 8.835) 9.759 22.907 ( 0.759 0.000 -0.797) 1.101 22.986 ( 0.808 0.000 3.499) 3.591 23.034 ( 1.174 0.000 -2.216) 2.508 23.519 ( -3.432 0.000 2.540) 4.270 23.761 ( 9.888 0.000 1.343) 9.979 23.855 ( 0.435 0.000 0.471) 0.642 23.890 ( 1.568 0.000 -1.325) 2.053 24.020 ( -0.749 0.000 0.735) 1.050 24.034 ( -0.230 0.000 -1.747) 1.762 24.217 ( 0.822 0.000 5.983) 6.039 24.256 ( -0.070 0.000 -2.712) 2.713 24.578 ( -1.980 0.000 3.711) 4.206 24.627 ( -1.050 0.000 2.443) 2.659 24.655 ( -0.745 0.000 -3.700) 3.775 24.727 ( -3.232 0.000 -5.556) 6.428 24.767 ( -2.233 0.000 3.934) 4.523 24.803 ( -0.817 0.000 17.397) 17.416 24.967 ( -1.652 0.000 -7.060) 7.250 25.327 ( 8.495 0.000 -6.630) 10.776 ======================= Grid point 96 (46/80) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -10.494 0.000 18.654) 21.403 0.986 ( -16.908 0.000 23.747) 29.151 1.663 ( -19.753 0.000 22.502) 29.942 1.867 ( -8.478 0.000 -14.772) 17.032 1.873 ( -0.256 0.000 -1.935) 1.952 2.048 ( 9.329 0.000 -16.576) 19.020 2.057 ( 1.921 0.000 4.510) 4.902 2.104 ( 0.723 0.000 -3.304) 3.382 2.171 ( -0.915 0.000 -5.648) 5.722 2.237 ( 5.931 0.000 1.577) 6.137 2.528 ( -0.238 0.000 3.184) 3.193 2.533 ( -5.749 0.000 5.591) 8.019 2.669 ( -2.342 0.000 3.696) 4.375 2.733 ( -5.222 0.000 2.399) 5.747 2.808 ( -1.119 0.000 -0.332) 1.167 2.860 ( -2.837 0.000 -4.674) 5.468 2.907 ( 2.515 0.000 -0.154) 2.519 2.939 ( 10.675 0.000 -2.353) 10.931 2.982 ( 2.127 0.000 6.303) 6.652 3.023 ( 4.180 0.000 -1.231) 4.358 3.200 ( -3.627 0.000 -3.927) 5.346 3.247 ( 1.799 0.000 2.051) 2.728 3.303 ( -1.268 0.000 1.451) 1.927 3.362 ( -2.609 0.000 -0.578) 2.672 3.374 ( -4.291 0.000 -0.041) 4.291 3.417 ( -4.147 0.000 3.794) 5.621 3.519 ( -4.287 0.000 0.629) 4.333 3.554 ( -2.098 0.000 -2.799) 3.498 3.642 ( -1.182 0.000 -6.241) 6.352 3.690 ( 0.003 0.000 3.222) 3.222 3.713 ( -0.004 0.000 3.599) 3.599 3.739 ( 0.157 0.000 -0.734) 0.751 3.766 ( -5.014 0.000 -0.931) 5.100 3.830 ( 0.617 0.000 -2.890) 2.955 3.943 ( -1.363 0.000 -3.318) 3.587 4.006 ( 3.945 0.000 1.880) 4.370 4.061 ( 2.138 0.000 -2.514) 3.300 4.105 ( 6.137 0.000 3.280) 6.959 4.175 ( -2.145 0.000 9.345) 9.588 4.200 ( -0.637 0.000 1.358) 1.500 4.220 ( -8.528 0.000 2.874) 9.000 4.343 ( 0.405 0.000 1.770) 1.815 4.399 ( -2.451 0.000 3.393) 4.185 4.429 ( 1.607 0.000 1.370) 2.112 4.528 ( 4.821 0.000 5.975) 7.677 4.542 ( -2.265 0.000 -1.562) 2.752 4.653 ( -0.712 0.000 4.180) 4.240 4.791 ( -4.931 0.000 -12.487) 13.425 4.819 ( -5.706 0.000 -0.980) 5.790 4.877 ( 2.538 0.000 -11.228) 11.511 4.946 ( -0.483 0.000 -1.922) 1.982 5.032 ( -3.633 0.000 2.607) 4.471 5.205 ( 0.685 0.000 -5.617) 5.658 5.290 ( 9.554 0.000 -5.057) 10.810 5.323 ( -1.969 0.000 2.944) 3.541 5.340 ( -1.667 0.000 -3.515) 3.890 5.391 ( -3.762 0.000 -8.482) 9.279 5.509 ( 2.802 0.000 -1.198) 3.047 5.643 ( 7.381 0.000 -1.890) 7.619 5.697 ( -0.923 0.000 5.312) 5.391 5.760 ( 0.450 0.000 1.836) 1.891 5.884 ( 9.781 0.000 0.297) 9.786 6.220 ( 3.146 0.000 10.907) 11.351 6.413 ( 4.703 0.000 3.621) 5.935 6.447 ( -3.736 0.000 -4.151) 5.585 6.455 ( 10.119 0.000 0.223) 10.121 6.571 ( -5.304 0.000 0.615) 5.339 6.714 ( 12.469 0.000 4.687) 13.321 6.737 ( 0.532 0.000 0.087) 0.539 6.834 ( -10.461 0.000 8.448) 13.446 6.915 ( 2.571 0.000 2.972) 3.930 7.054 ( 14.491 0.000 0.307) 14.495 7.169 ( 1.025 0.000 1.411) 1.744 7.202 ( 10.055 0.000 1.698) 10.198 7.267 ( -4.551 0.000 -0.418) 4.570 7.407 ( 0.644 0.000 0.419) 0.768 7.465 ( -0.659 0.000 -0.384) 0.762 7.696 ( -5.368 0.000 1.386) 5.544 7.736 ( -6.416 0.000 1.598) 6.612 7.879 ( -9.808 0.000 3.229) 10.325 7.888 ( -1.212 0.000 -4.962) 5.108 8.034 ( 2.597 0.000 -0.281) 2.612 8.060 ( -3.343 0.000 -1.762) 3.779 8.200 ( 0.288 0.000 -5.940) 5.947 8.245 ( 2.063 0.000 7.632) 7.906 8.394 ( 0.714 0.000 3.596) 3.666 8.400 ( -2.624 0.000 6.162) 6.697 8.485 ( 0.794 0.000 3.250) 3.345 8.510 ( 4.490 0.000 -0.872) 4.574 8.656 ( -5.971 0.000 6.113) 8.546 8.884 ( 5.286 0.000 -7.468) 9.150 9.110 ( 3.603 0.000 -9.064) 9.754 9.272 ( 2.169 0.000 0.498) 2.225 9.302 ( -8.336 0.000 -2.045) 8.583 9.318 ( 0.847 0.000 1.231) 1.494 9.506 ( 0.297 0.000 -6.159) 6.166 9.657 ( -7.770 0.000 -2.654) 8.211 9.685 ( 3.006 0.000 5.143) 5.957 9.764 ( -2.533 0.000 -2.573) 3.610 9.849 ( 1.364 0.000 -10.193) 10.284 9.947 ( -2.082 0.000 0.992) 2.306 10.023 ( -3.259 0.000 -1.693) 3.672 10.278 ( -0.918 0.000 4.793) 4.881 10.382 ( 0.822 0.000 1.942) 2.109 10.425 ( 8.350 0.000 3.143) 8.922 10.445 ( 5.944 0.000 -0.263) 5.950 10.451 ( 2.318 0.000 -1.523) 2.773 10.460 ( 3.458 0.000 -1.740) 3.871 10.779 ( 7.550 0.000 1.338) 7.668 10.885 ( 2.275 0.000 -1.491) 2.720 10.943 ( 2.765 0.000 -1.169) 3.002 11.058 ( 4.001 0.000 -0.288) 4.011 11.339 ( -3.945 0.000 7.960) 8.884 11.482 ( 4.860 0.000 3.846) 6.198 11.705 ( 6.384 0.000 3.928) 7.496 11.962 ( 3.121 0.000 -9.567) 10.063 12.013 ( -0.609 0.000 -0.163) 0.631 12.156 ( 3.206 0.000 -1.125) 3.397 12.229 ( -2.923 0.000 2.169) 3.640 12.396 ( -2.414 0.000 -7.496) 7.875 12.603 ( -5.348 0.000 1.592) 5.580 12.615 ( -3.392 0.000 -1.909) 3.892 12.651 ( -8.032 0.000 7.971) 11.316 12.755 ( -7.105 0.000 -7.895) 10.622 12.953 ( -0.979 0.000 -2.735) 2.905 12.959 ( 6.219 0.000 -3.301) 7.041 13.286 ( -4.139 0.000 -1.594) 4.435 13.356 ( -1.243 0.000 -2.016) 2.368 13.491 ( -3.074 0.000 1.591) 3.462 13.525 ( 1.246 0.000 11.687) 11.753 13.717 ( -6.523 0.000 -1.029) 6.604 14.285 ( 0.807 0.000 -4.545) 4.616 14.387 ( 4.316 0.000 0.977) 4.425 14.687 ( 0.313 0.000 2.379) 2.399 14.862 ( -5.337 0.000 -8.379) 9.934 14.961 ( -3.741 0.000 1.485) 4.025 15.346 ( -3.532 0.000 -2.556) 4.360 15.429 ( -2.350 0.000 -0.799) 2.483 15.516 ( 4.235 0.000 5.017) 6.566 15.520 ( 2.401 0.000 7.675) 8.041 16.055 ( -1.130 0.000 -0.845) 1.411 16.067 ( -1.460 0.000 -1.271) 1.936 16.304 ( -9.943 0.000 -1.640) 10.077 16.411 ( 1.203 0.000 -7.158) 7.259 16.702 ( -1.293 0.000 3.149) 3.404 16.824 ( 2.573 0.000 -1.474) 2.965 17.634 ( -0.535 0.000 1.329) 1.432 17.695 ( 0.888 0.000 -1.017) 1.350 20.880 ( -1.180 0.000 0.670) 1.357 20.960 ( -0.042 0.000 -1.268) 1.269 21.225 ( -4.114 0.000 4.783) 6.308 21.349 ( -2.611 0.000 -5.910) 6.461 21.891 ( -0.003 0.000 0.862) 0.862 21.897 ( -0.203 0.000 0.682) 0.712 21.979 ( -0.233 0.000 -0.356) 0.425 22.058 ( -0.055 0.000 -1.611) 1.612 22.275 ( -3.558 0.000 3.921) 5.295 22.402 ( 0.511 0.000 -6.743) 6.763 22.671 ( -3.107 0.000 2.906) 4.254 22.754 ( 1.208 0.000 -6.818) 6.924 22.907 ( 0.609 0.000 -0.336) 0.695 23.018 ( 3.561 0.000 2.901) 4.594 23.073 ( 2.183 0.000 5.466) 5.886 23.091 ( 4.548 0.000 2.589) 5.233 23.481 ( -2.941 0.000 0.225) 2.950 23.878 ( 0.803 0.000 -5.865) 5.920 23.896 ( 1.940 0.000 2.733) 3.351 23.959 ( 7.509 0.000 0.263) 7.513 24.012 ( -1.450 0.000 1.576) 2.141 24.024 ( 1.764 0.000 -2.965) 3.450 24.221 ( -6.104 0.000 -1.642) 6.321 24.237 ( 1.353 0.000 -3.097) 3.379 24.530 ( -4.592 0.000 -3.253) 5.627 24.571 ( -2.712 0.000 3.791) 4.661 24.638 ( -0.997 0.000 2.188) 2.404 24.652 ( 0.068 0.000 -1.186) 1.188 24.738 ( -3.463 0.000 0.554) 3.507 24.880 ( -0.073 0.000 -4.061) 4.062 25.077 ( 8.637 0.000 14.715) 17.062 25.406 ( 6.882 0.000 -4.904) 8.451 ======================= Grid point 97 (47/80) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -5.106 7.791 20.711) 22.709 1.206 ( -8.645 11.615 23.420) 27.534 1.548 ( -6.865 0.815 -7.441) 10.157 1.776 ( -4.238 2.635 -4.253) 6.557 1.829 ( -1.724 12.151 -4.029) 12.917 2.051 ( 7.904 1.711 -16.170) 18.080 2.100 ( 1.745 5.419 2.439) 6.193 2.147 ( 0.141 1.918 -2.485) 3.142 2.279 ( 3.767 -3.088 4.804) 6.842 2.331 ( 1.809 -3.416 -1.306) 4.081 2.494 ( 3.338 0.520 6.632) 7.443 2.518 ( -1.811 1.797 3.799) 4.576 2.623 ( -7.194 1.738 -2.490) 7.809 2.653 ( -2.616 0.742 -2.180) 3.485 2.731 ( 2.394 -6.338 1.644) 6.971 2.802 ( -5.690 -3.853 -0.125) 6.873 2.884 ( 0.554 -2.757 -0.134) 2.815 2.930 ( 5.985 -1.425 2.478) 6.632 3.011 ( 1.377 -0.972 -7.076) 7.274 3.151 ( -3.250 -1.005 1.010) 3.549 3.179 ( 2.078 0.206 -2.001) 2.892 3.226 ( -4.898 -4.398 1.512) 6.754 3.231 ( 2.293 -3.359 3.760) 5.539 3.339 ( -0.015 0.183 0.123) 0.221 3.383 ( 3.036 1.723 -0.838) 3.590 3.447 ( 2.600 2.308 4.396) 5.605 3.486 ( -0.563 -3.305 4.714) 5.785 3.596 ( -2.050 -0.376 0.995) 2.310 3.632 ( 2.728 0.310 0.581) 2.807 3.700 ( 0.772 2.315 1.596) 2.915 3.736 ( 1.501 2.052 3.342) 4.199 3.750 ( 1.074 4.200 -1.056) 4.461 3.836 ( 4.528 -0.468 2.820) 5.355 3.909 ( -4.813 4.792 -5.498) 8.738 3.968 ( 1.936 4.999 -2.607) 5.961 3.983 ( -0.912 6.608 -2.018) 6.969 4.138 ( -1.169 0.955 0.376) 1.556 4.146 ( 1.000 4.414 -4.022) 6.055 4.171 ( -0.283 -2.091 3.520) 4.104 4.203 ( -2.659 1.304 -1.417) 3.283 4.272 ( 2.192 -3.106 5.419) 6.619 4.374 ( -1.071 2.089 -1.389) 2.728 4.441 ( 0.455 0.334 3.287) 3.335 4.469 ( -2.966 4.280 0.663) 5.250 4.535 ( -2.264 4.319 -2.411) 5.440 4.611 ( 4.575 4.020 -0.615) 6.121 4.648 ( 2.422 -0.311 -3.224) 4.044 4.734 ( 4.536 5.471 -2.357) 7.488 4.762 ( -1.900 4.955 -0.355) 5.319 4.826 ( 3.182 0.328 -5.173) 6.082 4.925 ( -4.439 3.115 -5.112) 7.453 5.020 ( -6.527 -2.240 -7.412) 10.127 5.057 ( -3.038 0.435 4.296) 5.279 5.265 ( -1.819 -4.621 1.878) 5.309 5.297 ( -0.096 -1.411 -4.229) 4.459 5.319 ( -2.191 0.211 2.048) 3.006 5.425 ( 3.835 0.226 2.948) 4.843 5.552 ( 2.569 -1.902 3.227) 4.542 5.594 ( -4.276 -6.342 1.401) 7.776 5.785 ( 5.362 6.315 -6.644) 10.620 5.856 ( 2.140 5.608 3.098) 6.755 6.080 ( 5.152 3.216 -8.769) 10.666 6.276 ( -3.461 -1.672 6.288) 7.370 6.358 ( -4.574 -1.485 1.010) 4.914 6.408 ( 9.634 -2.638 0.954) 10.034 6.438 ( -4.089 -6.598 1.788) 7.966 6.590 ( -0.955 -2.188 0.474) 2.434 6.651 ( 0.102 -7.557 -4.585) 8.840 6.718 ( 0.071 -4.464 13.821) 14.524 6.890 ( 6.058 -1.967 3.447) 7.242 7.012 ( 0.648 1.289 -3.977) 4.231 7.140 ( -1.253 -5.153 -4.617) 7.032 7.214 ( 0.150 -0.228 2.874) 2.886 7.264 ( 3.664 -3.387 1.131) 5.116 7.317 ( 6.019 -3.066 -0.636) 6.784 7.392 ( 4.042 -2.290 2.012) 5.063 7.469 ( 3.108 -1.632 -2.479) 4.298 7.557 ( -5.598 -7.313 -0.436) 9.220 7.680 ( -7.760 -2.143 3.230) 8.674 7.765 ( 3.309 0.171 -0.059) 3.314 7.837 ( -4.782 3.198 -5.655) 8.067 7.871 ( -5.305 0.736 -2.172) 5.779 8.106 ( -0.284 1.645 1.388) 2.170 8.189 ( 3.795 3.759 -0.457) 5.361 8.362 ( -2.324 1.283 8.234) 8.651 8.403 ( 2.343 -3.967 5.278) 7.006 8.469 ( 4.385 -5.305 2.961) 7.493 8.546 ( 1.925 -0.040 1.317) 2.333 8.616 ( 2.339 3.063 4.997) 6.310 8.660 ( -5.060 2.796 8.641) 10.396 8.927 ( 6.040 0.667 -5.514) 8.206 8.988 ( -1.977 -2.136 -8.663) 9.139 9.123 ( -3.140 -0.612 -1.445) 3.510 9.272 ( 0.333 -2.135 -1.701) 2.750 9.329 ( -1.127 -1.145 -8.841) 8.986 9.353 ( -2.302 0.368 -3.991) 4.622 9.598 ( -1.637 0.142 2.162) 2.716 9.684 ( 0.013 -5.064 0.941) 5.150 9.743 ( 1.045 1.270 -2.558) 3.042 9.775 ( 2.226 -0.101 -5.150) 5.611 9.946 ( 0.408 0.223 0.169) 0.494 9.964 ( -1.519 -0.187 -0.891) 1.771 10.265 ( -2.417 1.090 5.421) 6.034 10.355 ( -0.908 -1.666 3.644) 4.109 10.404 ( -0.658 -2.399 -0.022) 2.488 10.495 ( 2.516 -0.585 -2.413) 3.535 10.563 ( 6.290 0.193 -0.988) 6.370 10.593 ( -2.241 -2.167 -3.407) 4.618 10.906 ( 0.367 1.904 1.271) 2.318 10.959 ( -1.631 6.107 2.842) 6.931 11.028 ( 4.012 5.459 -1.592) 6.959 11.178 ( 0.910 9.627 -4.238) 10.558 11.421 ( 1.385 0.029 7.849) 7.970 11.550 ( -0.599 -2.714 4.081) 4.937 11.697 ( -7.505 -4.674 1.890) 9.041 11.758 ( 4.434 -9.684 -4.077) 11.404 12.040 ( -2.674 4.718 0.698) 5.468 12.128 ( 1.120 3.972 -3.296) 5.282 12.235 ( 0.002 -2.020 2.832) 3.479 12.376 ( -2.164 -6.421 0.728) 6.815 12.464 ( 1.325 -1.610 -4.528) 4.985 12.496 ( 0.301 -3.638 -3.497) 5.055 12.613 ( -2.682 1.545 3.593) 4.742 12.727 ( 2.191 1.566 -1.095) 2.907 13.050 ( 3.440 6.073 -1.754) 7.197 13.087 ( 0.034 5.277 -4.233) 6.765 13.273 ( 1.031 2.912 1.283) 3.345 13.361 ( -0.878 4.388 -2.754) 5.255 13.565 ( 1.463 5.177 4.130) 6.782 13.711 ( -2.146 8.104 5.688) 10.131 13.756 ( 3.666 5.945 0.120) 6.985 14.148 ( -5.898 0.564 -9.460) 11.162 14.518 ( 6.877 -1.002 2.617) 7.426 14.604 ( -6.657 -0.896 -2.183) 7.063 14.862 ( 6.646 -1.932 1.111) 7.010 14.907 ( -2.797 -0.727 -1.066) 3.080 15.316 ( 1.609 0.699 0.313) 1.782 15.357 ( -3.183 -0.209 -1.400) 3.484 15.613 ( 0.661 0.612 5.354) 5.430 15.664 ( 4.294 0.572 3.900) 5.829 15.859 ( -4.707 -7.670 4.074) 9.879 15.974 ( -0.324 -7.522 -0.498) 7.546 16.191 ( -5.301 3.168 1.629) 6.386 16.386 ( 3.488 -0.435 -6.426) 7.325 16.776 ( -1.769 5.088 1.851) 5.696 16.856 ( 1.181 2.147 -1.868) 3.081 17.638 ( -0.391 -0.238 1.324) 1.401 17.688 ( 0.477 -0.746 -1.107) 1.418 20.897 ( 0.398 1.216 1.368) 1.873 20.958 ( 0.143 1.378 -1.824) 2.290 21.174 ( -2.498 -2.612 3.498) 5.030 21.301 ( 4.110 -4.196 -2.832) 6.521 21.934 ( -0.142 3.445 0.088) 3.449 21.954 ( 0.479 0.727 -0.899) 1.251 22.002 ( 0.619 4.754 0.462) 4.817 22.075 ( 0.086 2.770 -2.465) 3.709 22.256 ( -2.557 0.869 2.021) 3.373 22.339 ( -0.431 -0.898 -3.159) 3.312 22.667 ( -1.607 1.413 0.985) 2.356 22.742 ( 2.886 0.253 -3.530) 4.567 22.893 ( 1.237 -3.962 1.639) 4.462 23.037 ( 1.121 -2.655 -4.534) 5.372 23.145 ( 1.083 -0.491 5.632) 5.756 23.185 ( 5.006 -2.968 4.505) 7.359 23.403 ( -2.924 -1.915 -1.459) 3.788 23.495 ( -10.079 -8.954 -5.039) 14.393 23.959 ( -2.895 -0.006 2.344) 3.725 23.991 ( -0.253 -1.319 3.007) 3.293 24.064 ( 3.177 1.076 -2.776) 4.353 24.106 ( 0.483 4.133 -2.624) 4.919 24.165 ( -0.356 2.364 1.988) 3.109 24.230 ( 1.307 0.421 -1.697) 2.183 24.497 ( -2.290 0.631 4.430) 5.026 24.599 ( -1.833 1.855 0.221) 2.617 24.639 ( -0.786 0.116 1.479) 1.679 24.671 ( 1.797 1.038 -0.222) 2.087 24.717 ( -1.281 3.289 1.176) 3.720 24.837 ( -0.274 0.492 -3.939) 3.979 25.232 ( 1.716 -3.634 5.747) 7.013 25.402 ( 2.261 -3.879 -3.897) 5.946 ======================= Grid point 98 (48/80) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 2.066 1.126 15.820) 15.994 1.353 ( 2.038 4.937 17.651) 18.441 1.461 ( -1.813 6.395 7.632) 10.121 1.618 ( -1.543 6.823 -6.197) 9.345 1.765 ( -4.536 8.451 -5.200) 10.910 1.997 ( 4.105 3.911 -14.321) 15.403 2.057 ( -6.574 0.973 0.310) 6.653 2.199 ( 6.915 3.847 -3.688) 8.730 2.273 ( -3.385 1.859 -0.942) 3.976 2.334 ( -3.950 -4.095 -3.385) 6.620 2.457 ( 1.224 -4.355 1.725) 4.841 2.589 ( 0.761 -0.458 3.102) 3.227 2.610 ( 2.951 -2.256 1.738) 4.101 2.721 ( -0.232 2.823 0.870) 2.963 2.772 ( 1.680 -4.914 2.194) 5.637 2.809 ( 6.302 -3.106 1.834) 7.261 2.922 ( 6.201 -1.851 -5.978) 8.810 3.001 ( 3.121 -4.268 5.621) 7.717 3.074 ( 4.426 -2.575 0.904) 5.200 3.119 ( 0.795 0.182 3.978) 4.061 3.165 ( -1.341 -4.454 1.813) 4.992 3.191 ( 0.073 -3.041 0.699) 3.121 3.257 ( -5.122 -2.386 4.193) 7.037 3.335 ( -0.032 0.038 -0.165) 0.172 3.398 ( -0.203 5.450 1.197) 5.583 3.483 ( -2.031 1.969 -0.455) 2.865 3.554 ( 3.169 -2.646 3.428) 5.366 3.594 ( 3.527 -0.152 0.395) 3.553 3.647 ( 0.451 -0.837 -6.355) 6.425 3.687 ( 0.833 3.732 -1.627) 4.156 3.738 ( -1.871 6.246 -2.433) 6.960 3.814 ( 1.138 2.854 -1.908) 3.617 3.842 ( 1.150 3.675 0.516) 3.885 3.954 ( 2.460 3.462 -3.138) 5.281 3.960 ( 1.388 1.031 0.257) 1.748 4.012 ( 2.502 4.109 0.212) 4.816 4.047 ( -0.748 3.090 -3.970) 5.087 4.135 ( -3.657 -4.019 2.125) 5.834 4.181 ( -2.105 2.257 -0.607) 3.146 4.219 ( 12.177 2.754 -1.925) 12.632 4.301 ( 0.965 0.066 5.107) 5.198 4.384 ( -3.607 4.114 1.737) 5.740 4.452 ( 4.936 -1.358 3.239) 6.058 4.486 ( -1.317 3.447 0.930) 3.805 4.508 ( -1.244 1.490 0.185) 1.950 4.668 ( -0.704 6.186 -3.071) 6.942 4.687 ( 0.006 1.192 -5.272) 5.406 4.720 ( 2.726 1.781 -3.798) 5.003 4.745 ( 4.804 1.936 -5.017) 7.211 4.865 ( 2.526 -2.654 -3.676) 5.190 4.907 ( 5.993 4.525 1.422) 7.643 4.954 ( 6.223 0.352 3.752) 7.275 5.056 ( -4.177 -0.486 5.869) 7.220 5.167 ( -10.190 -0.770 2.847) 10.608 5.246 ( -2.349 2.650 -0.895) 3.652 5.289 ( -1.854 3.100 -2.322) 4.294 5.494 ( -3.336 -1.458 4.079) 5.467 5.557 ( 1.583 -6.283 0.059) 6.480 5.622 ( 1.191 -2.945 3.589) 4.794 5.757 ( 1.241 6.054 -9.671) 11.477 5.882 ( -2.501 3.680 -2.892) 5.306 6.002 ( 0.069 1.216 -5.650) 5.780 6.213 ( -8.753 -1.301 1.626) 8.997 6.265 ( -7.704 1.456 5.353) 9.493 6.436 ( 1.185 -7.923 1.146) 8.092 6.479 ( -3.413 2.345 3.623) 5.502 6.575 ( -1.714 -8.331 -5.138) 9.937 6.635 ( 3.008 -5.555 1.774) 6.562 6.836 ( -3.161 -3.001 -5.712) 7.185 6.867 ( -2.861 -3.350 3.215) 5.454 7.037 ( 5.884 3.742 4.523) 8.312 7.105 ( -1.932 -7.552 -3.721) 8.638 7.153 ( -6.329 -1.830 -1.181) 6.693 7.261 ( 0.808 1.253 -0.139) 1.497 7.384 ( -2.699 -9.850 -6.325) 12.013 7.386 ( 0.371 -4.108 -2.581) 4.866 7.511 ( 1.819 1.484 -0.639) 2.433 7.572 ( 4.984 -1.843 3.199) 6.202 7.666 ( -0.322 -4.374 4.535) 6.309 7.738 ( -1.736 3.138 -0.490) 3.619 7.797 ( 2.398 -0.288 1.129) 2.666 7.886 ( 5.444 2.045 2.754) 6.434 8.117 ( 0.930 3.574 -0.106) 3.694 8.233 ( 2.773 2.596 -3.083) 4.891 8.361 ( -4.934 2.242 6.217) 8.247 8.450 ( -2.945 -3.809 -1.759) 5.126 8.480 ( -0.571 -4.797 -0.058) 4.831 8.581 ( 0.012 -1.523 -3.679) 3.982 8.650 ( -3.294 3.916 5.937) 7.838 8.740 ( 1.628 0.428 7.821) 8.000 8.897 ( 1.228 1.274 -3.183) 3.642 8.940 ( 4.359 1.432 -10.593) 11.544 9.164 ( 4.324 -0.642 3.927) 5.877 9.223 ( -0.601 0.125 0.816) 1.021 9.282 ( 3.557 -2.304 -5.367) 6.838 9.365 ( 4.398 -2.985 0.097) 5.316 9.575 ( -2.741 -0.776 1.074) 3.044 9.673 ( -1.649 -3.428 1.404) 4.055 9.755 ( 2.569 -1.040 -2.569) 3.779 9.798 ( 4.153 1.413 -2.164) 4.892 9.947 ( 1.415 -0.518 -0.726) 1.673 9.978 ( 2.249 -0.018 0.581) 2.323 10.283 ( -2.282 3.228 5.158) 6.499 10.353 ( -3.735 -0.116 1.762) 4.131 10.380 ( -0.678 -1.654 -1.215) 2.161 10.464 ( -3.327 -0.860 -1.907) 3.930 10.488 ( -3.698 -2.244 -3.259) 5.416 10.642 ( 4.045 0.430 -1.999) 4.533 10.850 ( -5.365 2.122 -1.290) 5.912 10.909 ( -4.542 4.631 -1.004) 6.564 11.027 ( -2.205 3.395 -0.145) 4.051 11.151 ( -3.319 9.442 -0.548) 10.023 11.482 ( -3.648 -4.426 3.565) 6.753 11.532 ( -6.112 -3.080 -0.472) 6.860 11.562 ( 0.603 2.189 3.866) 4.484 11.810 ( 0.168 -8.765 -3.147) 9.315 11.947 ( -5.671 0.509 0.251) 5.700 12.146 ( -5.231 2.542 2.857) 6.480 12.292 ( 7.301 0.130 -0.517) 7.321 12.357 ( 3.026 -2.054 -3.614) 5.142 12.458 ( 2.663 -4.255 1.088) 5.136 12.535 ( 2.073 -3.056 1.076) 3.846 12.621 ( 0.786 -0.361 1.450) 1.689 12.789 ( 5.326 0.737 -2.271) 5.837 13.025 ( -1.837 0.995 -1.534) 2.592 13.092 ( 3.328 6.039 -3.229) 7.614 13.312 ( -1.075 6.428 -2.363) 6.933 13.344 ( 4.694 4.696 1.226) 6.752 13.626 ( 0.409 4.461 0.586) 4.518 13.713 ( 5.236 8.785 1.051) 10.281 13.947 ( -0.910 0.789 -1.375) 1.828 13.963 ( 2.812 2.331 2.761) 4.579 14.462 ( -6.839 0.028 -2.074) 7.147 14.646 ( 4.233 -2.659 2.124) 5.431 14.776 ( -5.772 0.214 -1.648) 6.006 14.999 ( 4.992 -2.906 -1.499) 5.968 15.327 ( 1.577 1.120 -0.820) 2.101 15.385 ( 4.146 -0.092 1.273) 4.338 15.617 ( -2.979 1.099 0.808) 3.277 15.764 ( 3.403 -1.500 -2.357) 4.403 15.853 ( -1.542 -5.620 7.331) 9.365 15.969 ( 0.132 -7.627 -0.020) 7.628 16.148 ( -2.877 3.485 3.680) 5.828 16.401 ( 4.903 -0.679 -4.739) 6.853 16.763 ( -2.171 4.258 2.331) 5.318 16.855 ( 1.048 3.015 -1.757) 3.643 17.643 ( -0.579 -0.351 1.246) 1.418 17.682 ( 0.287 -0.711 -1.217) 1.439 20.925 ( 0.953 1.402 1.378) 2.184 20.946 ( 0.873 1.589 -1.965) 2.674 21.175 ( -1.347 -1.905 3.268) 4.015 21.367 ( 7.411 -6.967 -4.961) 11.317 21.930 ( -0.350 2.330 0.163) 2.362 21.950 ( 0.073 0.781 -0.678) 1.037 22.024 ( 1.057 4.107 0.047) 4.241 22.066 ( 1.556 3.186 -1.532) 3.863 22.241 ( -1.808 2.412 2.093) 3.670 22.321 ( 0.492 -1.516 0.511) 1.673 22.646 ( -1.180 1.415 -0.475) 1.903 22.766 ( 3.417 0.976 -2.523) 4.358 22.935 ( -0.109 -5.565 1.818) 5.855 22.981 ( -0.057 -2.890 -5.394) 6.120 23.145 ( -6.265 -1.512 0.134) 6.447 23.264 ( -0.134 -1.438 -3.092) 3.413 23.348 ( -1.638 -3.257 5.218) 6.365 23.424 ( 2.655 -4.715 6.561) 8.504 23.912 ( -4.262 0.003 1.753) 4.609 24.024 ( -0.452 -1.515 3.048) 3.434 24.077 ( 0.045 1.343 -3.378) 3.635 24.094 ( 2.762 2.523 -2.529) 4.515 24.169 ( -0.770 2.263 -0.002) 2.391 24.238 ( 1.407 1.358 -0.991) 2.193 24.525 ( -1.934 0.254 7.163) 7.424 24.562 ( -1.583 1.530 -0.685) 2.305 24.630 ( -0.923 0.639 0.702) 1.324 24.703 ( 2.040 0.581 -0.776) 2.258 24.730 ( -0.385 4.072 2.928) 5.030 24.791 ( -0.426 1.066 -3.234) 3.431 25.248 ( -3.470 -2.933 2.016) 4.971 25.367 ( -0.843 -3.727 -4.717) 6.070 ======================= Grid point 99 (49/80) ======================= q-point: ( 0.33 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 10.125 4.553 1.222) 11.169 1.488 ( -3.916 8.045 12.249) 15.169 1.505 ( -7.535 3.769 0.448) 8.437 1.656 ( -3.646 1.152 12.021) 12.614 1.740 ( 4.924 6.179 6.460) 10.206 1.874 ( -0.889 8.603 1.241) 8.737 1.970 ( 1.929 3.068 -7.999) 8.782 2.190 ( -1.142 -0.351 -0.378) 1.253 2.282 ( 5.351 -3.799 -4.449) 7.928 2.310 ( 0.870 8.515 0.632) 8.583 2.487 ( -1.697 -2.319 1.492) 3.238 2.601 ( -2.133 -1.666 4.292) 5.074 2.668 ( 3.223 -5.119 -5.467) 8.154 2.744 ( -1.454 -2.489 1.331) 3.175 2.799 ( 2.625 -1.311 0.400) 2.961 2.864 ( 5.561 -6.789 -4.383) 9.809 2.977 ( -1.960 -6.675 -1.787) 7.183 3.025 ( -1.377 -1.623 -1.927) 2.871 3.063 ( 3.552 -0.605 -4.566) 5.817 3.169 ( -0.848 1.631 -0.060) 1.839 3.221 ( 6.772 -0.839 4.139) 7.981 3.291 ( 3.765 -1.881 4.690) 6.302 3.293 ( 0.428 0.793 0.304) 0.951 3.364 ( 3.546 -2.813 5.971) 7.492 3.449 ( -2.002 2.484 -0.139) 3.193 3.501 ( 0.052 1.748 6.129) 6.373 3.545 ( 1.042 1.434 2.184) 2.812 3.560 ( 2.373 0.641 -9.038) 9.366 3.636 ( -1.420 3.364 -4.068) 5.466 3.692 ( 2.991 0.026 -0.183) 2.997 3.753 ( 4.551 0.472 4.932) 6.728 3.796 ( -4.002 5.505 -0.129) 6.808 3.864 ( -0.903 0.896 -3.263) 3.502 3.886 ( 2.852 2.704 -2.080) 4.446 3.982 ( -0.216 5.833 -0.340) 5.847 4.014 ( -0.988 3.260 -0.471) 3.439 4.044 ( -2.631 -6.168 -1.697) 6.917 4.157 ( 6.178 5.162 0.888) 8.100 4.183 ( 6.548 5.177 -5.289) 9.882 4.316 ( -13.037 -0.999 0.831) 13.102 4.329 ( -3.664 2.584 1.203) 4.642 4.416 ( -1.470 2.550 5.567) 6.298 4.454 ( -2.259 2.915 -2.556) 4.487 4.510 ( 6.390 1.382 3.341) 7.343 4.552 ( 9.133 0.708 -2.826) 9.586 4.580 ( -5.105 3.722 -2.662) 6.856 4.619 ( 3.436 0.195 -0.593) 3.492 4.754 ( -0.707 -3.116 -2.986) 4.373 4.792 ( 3.932 -0.185 -1.569) 4.237 4.837 ( 1.470 5.937 -1.401) 6.274 4.998 ( -7.049 4.311 0.665) 8.289 5.059 ( 1.556 0.134 2.738) 3.152 5.107 ( 3.424 5.853 2.947) 7.394 5.127 ( 6.713 0.542 6.889) 9.634 5.235 ( 0.754 2.114 3.108) 3.834 5.258 ( 3.088 0.936 -1.819) 3.704 5.428 ( -5.185 0.453 0.320) 5.215 5.598 ( 1.382 -8.165 -0.467) 8.295 5.656 ( -0.024 4.755 -8.036) 9.338 5.671 ( 0.628 0.917 1.968) 2.261 5.787 ( -2.915 -0.215 -2.069) 3.581 5.911 ( -4.658 1.813 -5.569) 7.483 6.114 ( -5.386 -4.329 -0.144) 6.911 6.188 ( -7.270 -2.629 5.649) 9.574 6.415 ( -4.471 -2.988 0.638) 5.415 6.485 ( 1.137 -2.888 -0.008) 3.104 6.533 ( 1.049 -5.222 0.045) 5.326 6.648 ( -2.515 -6.466 -0.828) 6.987 6.707 ( -0.970 -4.282 -6.039) 7.467 6.830 ( -4.622 -6.001 -2.296) 7.915 6.920 ( -7.262 -3.502 -4.386) 9.178 7.071 ( -3.732 0.302 -1.968) 4.230 7.188 ( 1.731 6.060 2.188) 6.671 7.228 ( -0.965 -5.360 -5.246) 7.562 7.325 ( 1.981 -0.867 -1.613) 2.698 7.351 ( 0.750 -3.418 -1.835) 3.951 7.515 ( 1.666 1.544 -3.090) 3.835 7.657 ( 1.542 -0.756 3.087) 3.533 7.730 ( -0.873 -2.918 9.358) 9.842 7.760 ( 2.262 1.238 4.086) 4.832 7.913 ( 5.564 -1.781 1.192) 5.963 7.989 ( 2.626 -0.933 1.684) 3.256 8.135 ( -0.423 2.850 -0.623) 2.948 8.202 ( -0.765 1.854 -2.796) 3.441 8.322 ( -2.713 -1.021 0.119) 2.901 8.387 ( -0.630 1.505 -1.084) 1.959 8.457 ( -0.274 -2.944 -2.311) 3.753 8.536 ( -1.599 1.888 0.365) 2.501 8.653 ( -0.605 5.140 1.802) 5.480 8.823 ( -0.093 -1.029 2.755) 2.942 8.881 ( 2.319 2.230 -6.668) 7.404 8.922 ( 2.949 0.183 -5.169) 5.954 9.163 ( -1.967 -1.696 2.242) 3.431 9.281 ( 1.169 -3.262 0.191) 3.470 9.389 ( 5.446 -1.302 4.464) 7.161 9.480 ( 6.471 0.365 3.008) 7.145 9.536 ( -2.701 -2.269 1.163) 3.714 9.670 ( -0.969 -1.629 2.094) 2.825 9.775 ( 1.211 -1.066 0.967) 1.881 9.851 ( 4.531 0.502 -2.746) 5.322 9.991 ( 4.736 -2.206 -1.351) 5.396 10.036 ( 3.059 0.207 1.197) 3.291 10.244 ( -6.077 -0.320 -2.378) 6.534 10.282 ( -3.172 7.162 2.703) 8.286 10.367 ( -4.159 -2.547 -0.772) 4.938 10.382 ( 0.272 -1.599 0.508) 1.700 10.438 ( 0.154 -0.134 -1.841) 1.852 10.654 ( 1.233 3.646 -5.074) 6.369 10.755 ( -2.218 1.324 -2.382) 3.514 10.821 ( -2.804 1.295 -2.941) 4.265 10.969 ( -3.217 1.579 -0.566) 3.628 11.040 ( -8.699 5.013 0.776) 10.070 11.360 ( -6.812 -2.307 1.146) 7.283 11.569 ( 5.866 -0.824 -0.254) 5.929 11.612 ( -2.309 -2.671 -2.114) 4.115 11.707 ( -3.067 0.508 1.710) 3.548 11.908 ( -1.935 -5.978 0.155) 6.285 12.022 ( -8.513 2.244 1.422) 8.918 12.394 ( 2.732 5.078 1.277) 5.906 12.433 ( 7.450 -4.875 -2.274) 9.189 12.521 ( 0.065 -6.786 5.233) 8.570 12.583 ( 1.940 -1.957 1.666) 3.220 12.656 ( 2.607 -0.411 -0.955) 2.807 12.848 ( 4.708 -1.768 -2.693) 5.704 12.974 ( -2.286 2.226 -0.690) 3.264 13.121 ( 4.010 3.630 -4.882) 7.287 13.285 ( -0.671 3.779 0.803) 3.921 13.434 ( 4.052 6.307 0.537) 7.515 13.622 ( -0.694 3.296 -1.433) 3.661 13.735 ( -2.169 5.007 -5.787) 7.954 13.916 ( 6.138 5.645 0.932) 8.391 14.133 ( 1.137 2.546 6.754) 7.307 14.349 ( -2.918 1.434 -0.214) 3.258 14.688 ( 0.184 -3.241 4.096) 5.226 14.737 ( 0.302 0.398 -0.571) 0.759 15.041 ( 3.118 -2.651 -0.829) 4.176 15.367 ( 2.546 0.325 -0.368) 2.593 15.446 ( 1.442 -0.813 -0.174) 1.664 15.559 ( -2.270 1.729 -1.743) 3.343 15.717 ( -1.760 -0.783 -6.968) 7.230 15.929 ( 0.738 -7.181 5.088) 8.832 15.978 ( 0.111 -8.095 1.289) 8.197 16.172 ( -0.370 2.721 6.483) 7.040 16.446 ( 4.591 -1.988 -3.282) 5.984 16.753 ( -1.912 4.403 2.626) 5.472 16.855 ( 0.805 3.827 -1.477) 4.180 17.643 ( -0.845 -0.354 1.022) 1.372 17.676 ( 0.454 -0.644 -1.170) 1.410 20.945 ( 0.730 1.242 -0.234) 1.460 20.952 ( 1.013 1.604 -0.478) 1.957 21.194 ( -0.962 -1.740 3.877) 4.357 21.431 ( 6.700 -8.297 -6.618) 12.551 21.927 ( -0.025 1.482 -0.118) 1.486 21.945 ( -0.157 2.251 -0.125) 2.260 22.041 ( 1.718 3.837 -0.678) 4.258 22.087 ( 2.005 3.128 -1.115) 3.879 22.238 ( -1.070 1.596 2.354) 3.039 22.374 ( 2.220 -0.834 4.786) 5.341 22.616 ( -1.278 0.874 -1.044) 1.867 22.807 ( 3.684 0.725 -1.404) 4.009 22.874 ( -3.158 -4.006 -2.544) 5.700 22.975 ( -0.483 -2.714 0.135) 2.760 23.036 ( -4.427 0.366 -0.932) 4.539 23.182 ( -2.250 -1.961 -5.649) 6.389 23.444 ( 2.446 -2.242 7.085) 7.823 23.531 ( -0.088 -4.682 6.435) 7.958 23.861 ( -2.869 -0.376 0.990) 3.058 24.021 ( -0.531 2.616 -4.905) 5.584 24.042 ( -1.295 -2.027 2.765) 3.664 24.106 ( 0.276 2.864 -0.837) 2.996 24.157 ( 0.154 2.798 -1.053) 2.994 24.256 ( 1.566 0.111 -0.490) 1.645 24.535 ( -0.129 2.029 0.361) 2.065 24.579 ( -2.515 -1.222 8.338) 8.795 24.633 ( 0.261 1.167 1.363) 1.813 24.716 ( 0.933 0.238 -1.744) 1.992 24.742 ( 0.397 0.947 -0.801) 1.302 24.777 ( -0.289 3.094 2.181) 3.797 25.179 ( -5.151 -2.393 -0.530) 5.704 25.296 ( -0.033 -2.818 -6.312) 6.912 ======================= Grid point 100 (50/80) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -18.717 3.979 9.302) 21.277 1.463 ( -10.642 9.549 2.282) 14.479 1.491 ( 5.936 9.225 -1.968) 11.145 1.741 ( 9.309 6.230 6.911) 13.162 1.869 ( 1.986 -0.357 12.256) 12.421 1.996 ( 7.549 2.150 -0.942) 7.905 2.089 ( 8.275 3.610 4.477) 10.077 2.199 ( 1.746 0.011 -1.734) 2.461 2.289 ( -2.328 3.011 1.031) 3.943 2.329 ( 2.621 1.254 -0.230) 2.914 2.460 ( 1.075 -0.728 -5.275) 5.433 2.570 ( -3.928 -2.209 -8.743) 9.836 2.646 ( 0.810 -1.099 2.810) 3.124 2.723 ( -3.223 1.603 3.384) 4.941 2.802 ( -1.928 -3.063 0.712) 3.689 2.847 ( -4.445 -5.571 -2.906) 7.697 2.880 ( -0.578 -1.025 -3.501) 3.694 3.011 ( 2.019 -0.536 -1.538) 2.594 3.121 ( 1.988 0.003 -0.675) 2.099 3.169 ( -0.749 1.921 1.153) 2.362 3.260 ( -9.093 -0.411 -0.568) 9.120 3.311 ( 2.187 -0.238 -0.746) 2.323 3.340 ( -3.245 -1.784 -0.157) 3.706 3.398 ( -1.201 -1.644 -0.143) 2.041 3.418 ( 2.099 -2.229 -0.468) 3.097 3.513 ( -0.688 0.869 -0.572) 1.247 3.594 ( -2.867 3.630 3.167) 5.606 3.627 ( -1.628 6.325 2.848) 7.125 3.667 ( 3.832 -2.406 5.005) 6.746 3.724 ( 3.600 -2.898 -0.812) 4.693 3.741 ( 4.848 2.621 5.672) 7.908 3.792 ( -4.853 -4.525 -0.556) 6.659 3.885 ( 0.334 -1.864 3.018) 3.563 3.904 ( -0.617 0.861 -0.881) 1.378 3.922 ( 1.941 2.616 -5.613) 6.490 4.009 ( 2.868 4.622 -1.950) 5.778 4.040 ( -0.038 3.896 1.322) 4.115 4.088 ( -6.205 4.871 -0.995) 7.951 4.152 ( -1.883 5.483 -4.702) 7.465 4.218 ( -2.785 4.718 0.588) 5.510 4.283 ( -3.718 6.605 -5.714) 9.492 4.379 ( -4.601 1.030 -3.065) 5.624 4.388 ( 3.375 -0.202 -3.706) 5.017 4.432 ( 0.295 4.129 -0.689) 4.197 4.590 ( -3.010 0.752 3.324) 4.546 4.675 ( 1.943 6.366 0.326) 6.664 4.738 ( 6.081 3.375 -0.252) 6.959 4.792 ( 6.311 -4.003 1.231) 7.574 4.844 ( 1.802 4.576 -1.464) 5.131 4.856 ( 0.234 3.765 -2.236) 4.385 4.985 ( 2.417 0.056 8.237) 8.585 5.094 ( 0.726 1.037 3.004) 3.260 5.141 ( 1.206 0.900 0.613) 1.625 5.258 ( 0.733 1.267 2.631) 3.011 5.293 ( 3.079 -1.430 0.470) 3.427 5.336 ( 0.494 0.579 3.540) 3.621 5.399 ( 2.752 -1.295 0.990) 3.198 5.568 ( 0.761 -4.204 -6.466) 7.750 5.634 ( 1.930 -0.703 -5.068) 5.469 5.661 ( -3.324 3.062 1.347) 4.716 5.738 ( 0.568 -2.866 -1.671) 3.365 5.840 ( 0.388 4.179 -3.374) 5.385 5.974 ( -5.431 -5.391 -2.027) 7.917 6.123 ( -4.159 -3.111 0.781) 5.253 6.375 ( -2.821 -5.618 4.875) 7.955 6.511 ( 1.561 -3.173 -0.282) 3.547 6.550 ( 0.804 -6.994 -1.683) 7.238 6.592 ( -0.935 -4.604 -0.360) 4.712 6.650 ( -2.846 -4.605 -0.286) 5.421 6.715 ( -1.511 -4.258 -5.683) 7.260 6.826 ( 0.565 -3.968 -2.461) 4.703 6.978 ( -1.733 2.433 -4.956) 5.786 7.156 ( -3.289 7.439 -1.852) 8.342 7.191 ( 1.151 -2.090 -2.295) 3.311 7.336 ( -0.811 -1.086 0.481) 1.438 7.388 ( 2.809 -0.308 -1.164) 3.056 7.566 ( 4.378 -1.814 1.928) 5.116 7.681 ( -1.754 -2.812 1.692) 3.721 7.804 ( -1.392 -2.563 8.420) 8.911 7.871 ( 3.928 0.775 5.497) 6.801 7.938 ( -1.731 -0.633 -0.363) 1.878 8.004 ( -4.169 2.965 1.466) 5.322 8.061 ( -1.985 -3.449 -2.218) 4.556 8.204 ( 2.340 3.492 -4.598) 6.230 8.296 ( -0.153 -1.382 -0.285) 1.419 8.376 ( -1.335 0.428 -0.342) 1.443 8.452 ( 0.469 -0.670 0.236) 0.851 8.522 ( -2.867 2.647 4.086) 5.649 8.635 ( -2.249 4.752 -3.021) 6.063 8.778 ( -5.128 0.281 0.941) 5.221 8.886 ( 2.435 -0.086 -6.919) 7.335 8.935 ( 7.564 0.720 -2.149) 7.897 9.189 ( 0.580 -1.551 3.368) 3.753 9.274 ( 0.049 -2.071 -1.778) 2.730 9.481 ( 1.120 -0.087 2.420) 2.668 9.509 ( -1.887 -1.383 1.077) 2.576 9.583 ( -0.811 1.099 5.779) 5.938 9.696 ( 1.356 -0.391 2.965) 3.284 9.815 ( 1.327 -3.670 1.426) 4.155 9.880 ( 2.896 -1.089 -4.688) 5.617 10.046 ( -0.115 0.168 -1.436) 1.451 10.089 ( 3.856 -2.094 1.085) 4.520 10.181 ( 2.427 -2.035 -1.678) 3.584 10.212 ( -4.163 0.525 -1.439) 4.436 10.328 ( -3.515 2.923 2.760) 5.340 10.399 ( 2.460 -0.784 -0.782) 2.698 10.457 ( 2.910 3.156 -0.070) 4.294 10.583 ( -1.668 4.736 -6.402) 8.136 10.729 ( 0.258 0.433 -1.193) 1.295 10.763 ( 0.103 0.515 -3.075) 3.120 10.925 ( -3.396 1.285 -0.603) 3.680 10.945 ( 1.989 2.339 -0.406) 3.097 11.320 ( -0.324 0.424 2.899) 2.948 11.483 ( -3.986 -2.224 -4.873) 6.677 11.648 ( -4.195 -1.378 3.064) 5.375 11.717 ( 4.010 -1.738 -0.504) 4.399 11.906 ( 3.391 2.139 1.602) 4.318 11.950 ( -0.983 -5.024 -0.831) 5.186 12.418 ( -1.816 4.615 1.822) 5.283 12.512 ( 3.316 -3.778 -0.109) 5.028 12.557 ( -1.621 -8.728 4.244) 9.840 12.622 ( -0.073 -3.497 1.945) 4.002 12.693 ( 3.393 2.413 -2.128) 4.675 12.846 ( -2.570 -3.508 -1.589) 4.630 12.982 ( 4.099 4.518 -1.073) 6.194 13.103 ( 2.178 2.670 -8.225) 8.918 13.313 ( 0.272 0.859 4.940) 5.021 13.469 ( -1.263 2.411 -0.836) 2.848 13.575 ( -1.334 5.468 -1.007) 5.718 13.635 ( -2.895 5.854 -4.853) 8.137 14.045 ( 5.360 4.426 2.423) 7.361 14.090 ( -5.510 5.057 0.124) 7.480 14.428 ( 6.221 2.420 5.406) 8.590 14.643 ( -4.857 0.108 -4.211) 6.429 14.846 ( 5.061 -1.800 8.668) 10.198 15.095 ( 2.996 -4.215 -1.219) 5.313 15.377 ( -0.743 -1.958 -0.516) 2.156 15.434 ( -0.885 -0.437 -0.723) 1.224 15.522 ( -0.477 2.393 -2.107) 3.223 15.585 ( -3.246 1.249 -8.613) 9.289 15.965 ( -1.385 -9.093 3.475) 9.832 15.992 ( -0.266 -7.866 1.327) 7.982 16.254 ( 0.764 0.051 7.376) 7.416 16.472 ( 2.556 -3.057 -3.879) 5.561 16.757 ( -1.010 5.298 3.212) 6.278 16.850 ( 0.496 4.110 -1.780) 4.506 17.637 ( -0.925 -0.241 0.879) 1.299 17.675 ( 0.812 -0.612 -1.014) 1.436 20.943 ( -1.302 1.035 0.323) 1.694 20.964 ( 1.498 1.200 -1.034) 2.180 21.213 ( -2.175 -2.146 4.650) 5.565 21.451 ( 4.060 -8.723 -7.676) 12.308 21.927 ( 0.116 1.819 -0.129) 1.827 21.943 ( 0.138 3.173 -0.332) 3.194 22.072 ( 2.265 3.609 -0.366) 4.277 22.097 ( 0.973 3.795 -2.515) 4.656 22.255 ( -0.969 0.632 4.113) 4.273 22.456 ( 2.675 -2.913 -1.112) 4.109 22.607 ( -1.089 1.115 6.188) 6.382 22.815 ( -2.405 -1.650 1.927) 3.495 22.863 ( 3.666 0.424 -1.316) 3.918 22.944 ( -1.551 -0.915 -2.976) 3.478 22.978 ( -1.421 0.695 -0.208) 1.596 23.082 ( -2.059 -1.623 -5.690) 6.265 23.520 ( -2.473 -2.636 4.833) 6.035 23.578 ( 2.549 -2.289 2.789) 4.417 23.845 ( -0.184 -0.841 1.077) 1.379 23.959 ( 0.072 3.889 -5.016) 6.347 24.051 ( -1.124 0.666 2.279) 2.627 24.116 ( 0.593 -0.338 2.672) 2.758 24.135 ( -1.087 4.214 -1.384) 4.567 24.268 ( 0.355 -1.198 -1.175) 1.715 24.555 ( 0.280 0.925 2.543) 2.721 24.603 ( -2.908 -1.534 5.466) 6.378 24.678 ( 0.574 0.107 5.459) 5.490 24.702 ( -0.188 0.449 -2.267) 2.319 24.743 ( 1.822 -1.183 -2.521) 3.328 24.806 ( -1.138 3.708 5.166) 6.460 25.067 ( -5.365 -2.033 -3.464) 6.702 25.262 ( 4.444 -2.018 -6.946) 8.489 ======================= Grid point 101 (51/80) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -13.628 16.576 11.047) 24.136 1.226 ( -17.961 12.526 12.476) 25.202 1.687 ( 10.078 0.802 2.393) 10.389 1.842 ( -3.788 1.940 3.544) 5.538 2.032 ( 11.271 4.612 -8.883) 15.074 2.101 ( -4.722 3.310 3.648) 6.824 2.123 ( -4.239 1.339 -2.660) 5.181 2.151 ( 3.845 0.139 -1.679) 4.198 2.294 ( -1.820 1.913 -0.801) 2.759 2.308 ( -2.430 2.576 -13.436) 13.895 2.461 ( 3.783 -3.796 1.364) 5.530 2.471 ( 0.783 0.399 3.421) 3.533 2.658 ( -0.461 -2.307 0.485) 2.402 2.718 ( -2.911 2.298 6.837) 7.778 2.764 ( -3.128 -7.120 1.963) 8.021 2.826 ( -0.665 -2.987 4.575) 5.504 2.891 ( 4.166 5.265 0.207) 6.717 2.972 ( -12.314 5.303 -0.999) 13.445 3.023 ( -2.308 -0.931 -4.922) 5.516 3.075 ( -4.166 2.688 4.267) 6.541 3.165 ( -3.312 2.783 -3.611) 5.636 3.270 ( -0.813 -3.028 -1.092) 3.320 3.298 ( 0.090 -2.787 -0.477) 2.829 3.383 ( -1.414 -2.013 3.631) 4.386 3.437 ( -2.369 -3.814 -1.272) 4.666 3.487 ( -1.465 1.252 -2.601) 3.237 3.534 ( -0.129 -0.005 0.141) 0.192 3.617 ( -2.262 -0.129 -0.860) 2.423 3.648 ( -7.399 -2.765 0.576) 7.920 3.732 ( -1.724 -1.058 -3.118) 3.716 3.830 ( -3.471 2.639 -0.660) 4.409 3.841 ( 2.499 0.255 1.250) 2.806 3.858 ( -1.960 -1.070 -0.542) 2.298 3.913 ( -5.673 1.680 2.374) 6.375 3.946 ( 0.327 1.434 -4.635) 4.862 3.996 ( 5.055 7.833 3.373) 9.914 3.999 ( 1.663 1.328 1.156) 2.423 4.053 ( 4.968 6.368 -2.179) 8.366 4.192 ( 0.229 3.427 -0.466) 3.466 4.226 ( 7.316 3.501 3.671) 8.903 4.242 ( -0.153 5.572 3.871) 6.786 4.293 ( -2.020 0.565 0.023) 2.097 4.426 ( 0.875 3.844 0.298) 3.953 4.451 ( 2.793 5.518 0.881) 6.247 4.551 ( -7.414 3.254 3.375) 8.772 4.641 ( -4.343 3.755 -0.887) 5.809 4.735 ( -2.109 6.094 -2.914) 7.076 4.834 ( 0.537 -1.343 -0.611) 1.570 4.857 ( -0.456 -3.825 -1.034) 3.988 4.939 ( 8.644 5.968 -3.713) 11.141 4.999 ( -5.988 2.267 4.672) 7.926 5.141 ( -1.536 2.172 -0.557) 2.718 5.145 ( 5.047 -0.128 -1.273) 5.206 5.294 ( -1.798 -4.640 0.122) 4.978 5.315 ( 1.104 1.520 -8.008) 8.225 5.344 ( -2.687 -6.904 -0.477) 7.424 5.509 ( 7.239 -0.660 7.653) 10.555 5.528 ( -0.890 -1.685 -6.527) 6.799 5.576 ( 2.814 -1.698 0.607) 3.343 5.604 ( -1.911 1.554 -8.211) 8.573 5.760 ( 1.019 1.442 -1.916) 2.606 5.795 ( 5.020 1.719 -0.421) 5.323 6.026 ( 1.889 -1.914 7.833) 8.281 6.122 ( 4.826 -1.870 2.183) 5.617 6.405 ( -0.315 -9.742 3.748) 10.443 6.502 ( -2.726 -2.907 3.041) 5.013 6.517 ( -2.123 -4.688 -1.465) 5.351 6.583 ( -0.216 -5.270 -2.293) 5.751 6.662 ( 3.697 -7.000 -1.131) 7.997 6.718 ( 6.378 1.063 2.592) 6.966 6.850 ( 0.589 -4.370 0.955) 4.512 6.947 ( 3.129 1.608 -3.022) 4.638 7.093 ( -0.077 5.510 -1.273) 5.656 7.220 ( 3.198 2.202 -0.551) 3.922 7.308 ( -2.744 -1.403 0.563) 3.133 7.384 ( -1.357 -1.259 -3.140) 3.645 7.553 ( -4.002 -0.456 0.923) 4.132 7.730 ( 1.626 -5.581 -0.339) 5.823 7.813 ( -4.676 -1.003 0.700) 4.834 7.917 ( -3.539 4.791 3.758) 7.043 7.932 ( -1.403 -5.233 4.998) 7.371 8.006 ( 1.316 1.396 4.220) 4.635 8.012 ( -0.060 -0.907 0.156) 0.923 8.169 ( 1.672 1.056 -8.236) 8.470 8.297 ( -3.017 1.088 2.415) 4.015 8.327 ( -1.537 -3.468 0.126) 3.796 8.432 ( -5.603 -0.338 1.640) 5.848 8.515 ( -4.833 4.818 6.537) 9.450 8.538 ( -0.960 3.015 -3.453) 4.683 8.721 ( -3.864 2.403 2.654) 5.267 8.873 ( 4.427 -0.730 -6.665) 8.035 9.055 ( 7.644 -1.021 -3.952) 8.666 9.203 ( -0.657 -3.940 -0.474) 4.023 9.279 ( 0.619 -0.713 0.992) 1.369 9.467 ( -3.495 1.989 1.087) 4.166 9.519 ( 1.365 0.660 0.621) 1.639 9.603 ( -2.329 0.506 3.947) 4.610 9.727 ( -1.269 -1.845 -0.097) 2.242 9.819 ( -1.608 -3.482 -0.747) 3.908 9.862 ( 2.584 -2.615 -6.426) 7.403 9.997 ( -2.827 1.051 -0.949) 3.162 10.119 ( -3.966 -0.599 -3.028) 5.026 10.194 ( 6.032 -2.489 1.906) 6.798 10.240 ( 2.721 -3.905 1.987) 5.158 10.306 ( -1.427 4.011 2.548) 4.961 10.444 ( 2.777 1.778 -1.437) 3.597 10.474 ( -0.277 1.953 -2.857) 3.472 10.529 ( 2.788 4.048 -1.415) 5.115 10.733 ( 4.319 3.017 -1.920) 5.607 10.790 ( 4.100 -0.160 -0.619) 4.149 10.919 ( 2.626 1.606 -0.538) 3.125 11.035 ( 7.551 5.358 1.049) 9.318 11.370 ( -0.883 1.490 4.360) 4.691 11.410 ( -0.844 -2.125 -1.413) 2.688 11.574 ( -1.520 -1.187 2.009) 2.785 11.802 ( 3.527 -7.558 -1.149) 8.419 11.950 ( 3.687 -4.645 -1.839) 6.209 12.036 ( 8.378 2.580 1.494) 8.893 12.371 ( -4.581 4.055 -0.095) 6.119 12.538 ( -1.017 -2.517 -0.383) 2.741 12.561 ( -1.902 -5.741 1.393) 6.207 12.593 ( -4.394 -6.261 -0.271) 7.654 12.678 ( -4.393 1.022 1.767) 4.844 12.822 ( 2.369 -2.242 -2.501) 4.110 12.984 ( 0.130 4.814 -5.654) 7.427 13.101 ( 5.424 4.142 -4.153) 7.989 13.354 ( -3.584 -0.647 1.063) 3.794 13.414 ( -0.516 0.268 3.373) 3.423 13.519 ( -4.715 6.763 -1.469) 8.374 13.579 ( -1.272 4.957 0.918) 5.200 13.990 ( -3.587 10.642 -0.960) 11.271 14.190 ( 7.130 1.799 2.009) 7.623 14.489 ( -5.863 1.693 -6.229) 8.721 14.598 ( 6.051 2.194 5.272) 8.320 14.953 ( -2.503 -3.508 2.351) 4.909 15.054 ( -2.508 -4.911 -8.107) 9.804 15.373 ( -0.558 -1.874 1.397) 2.403 15.415 ( 0.275 -0.948 -0.637) 1.175 15.480 ( -0.517 3.075 1.319) 3.386 15.503 ( -1.091 2.491 -1.710) 3.212 15.958 ( -3.244 -9.773 2.749) 10.658 15.994 ( -0.802 -7.898 0.905) 7.990 16.316 ( -1.645 -2.678 4.560) 5.538 16.453 ( 1.264 -2.538 -5.779) 6.437 16.782 ( -0.080 5.711 2.800) 6.361 16.838 ( 0.561 3.744 -1.717) 4.157 17.631 ( -0.746 -0.119 0.946) 1.211 17.681 ( 0.986 -0.656 -0.912) 1.495 20.915 ( -2.043 0.859 0.283) 2.234 20.975 ( 0.785 0.927 -0.837) 1.474 21.211 ( -3.527 -2.690 4.538) 6.346 21.404 ( -0.318 -7.090 -7.668) 10.449 21.928 ( -0.049 3.126 0.268) 3.138 21.944 ( 0.697 2.758 -0.820) 2.960 22.062 ( -0.841 5.154 -3.728) 6.416 22.101 ( 1.471 3.164 -0.887) 3.600 22.281 ( -1.744 0.333 4.825) 5.141 22.431 ( 0.796 -3.585 -6.294) 7.287 22.672 ( -2.513 -0.570 7.509) 7.939 22.808 ( -2.856 -2.764 0.368) 3.991 22.886 ( 2.055 0.880 -4.298) 4.844 22.928 ( 4.820 1.808 0.785) 5.208 22.986 ( 0.681 0.028 2.897) 2.976 23.028 ( 1.036 -0.633 -2.120) 2.443 23.504 ( -3.050 -1.032 2.500) 4.076 23.648 ( 2.752 -6.346 0.575) 6.941 23.878 ( 1.946 -0.899 1.860) 2.838 23.939 ( 3.067 4.161 -3.622) 6.312 24.055 ( -0.256 2.063 1.258) 2.430 24.103 ( -0.497 5.256 -1.413) 5.466 24.177 ( 0.532 -2.293 5.364) 5.857 24.251 ( 0.350 -0.949 -2.370) 2.577 24.577 ( -1.525 0.279 3.715) 4.025 24.606 ( -1.620 -1.570 2.536) 3.394 24.662 ( -1.269 0.370 -3.280) 3.537 24.715 ( -0.981 -0.937 -3.885) 4.115 24.746 ( -1.242 -0.842 4.832) 5.059 24.851 ( -0.232 2.629 6.921) 7.408 24.955 ( -2.762 0.114 -1.014) 2.944 25.303 ( 7.338 -2.341 -5.599) 9.522 ======================= Grid point 102 (52/80) ======================= q-point: (-0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -13.649 19.152 8.360) 24.960 1.165 ( -12.345 14.683 20.833) 28.320 1.693 ( -12.705 3.791 14.416) 19.587 1.825 ( -2.029 -1.343 -9.410) 9.720 2.002 ( -1.544 7.646 -3.659) 8.616 2.031 ( 1.433 0.384 1.657) 2.224 2.090 ( 4.528 2.708 -17.442) 18.223 2.160 ( 0.827 1.008 -3.922) 4.133 2.195 ( 1.434 4.354 -1.271) 4.757 2.267 ( 3.486 1.094 0.549) 3.695 2.479 ( -2.069 -4.908 1.780) 5.616 2.522 ( -2.341 0.716 3.006) 3.877 2.692 ( 0.453 1.183 2.164) 2.508 2.716 ( -3.844 -5.708 0.938) 6.945 2.792 ( -1.351 2.100 3.417) 4.232 2.801 ( -2.792 -3.690 -1.001) 4.734 2.860 ( 1.135 -6.088 -1.067) 6.284 2.905 ( -2.390 0.184 1.065) 2.623 2.990 ( 5.905 3.153 -1.349) 6.828 3.137 ( 1.214 -4.084 2.686) 5.037 3.158 ( 2.808 7.051 -1.063) 7.664 3.222 ( 0.443 -1.106 -1.032) 1.576 3.286 ( -4.898 -2.322 0.662) 5.461 3.331 ( -6.031 -2.344 1.701) 6.691 3.382 ( 0.454 1.354 1.736) 2.248 3.418 ( -3.160 1.328 0.940) 3.554 3.511 ( -5.033 0.083 -3.921) 6.381 3.579 ( -0.060 -0.123 0.208) 0.249 3.597 ( 0.927 -1.312 3.067) 3.462 3.650 ( -1.248 -1.816 -1.743) 2.810 3.758 ( -1.055 0.808 -1.412) 1.939 3.768 ( -4.126 3.092 0.466) 5.177 3.835 ( -2.844 2.500 -0.821) 3.874 3.921 ( 4.931 7.345 0.586) 8.866 3.978 ( -0.514 2.356 -0.746) 2.524 4.012 ( 2.563 -0.684 0.692) 2.742 4.094 ( 2.124 4.137 2.193) 5.142 4.156 ( 3.275 4.556 -0.907) 5.684 4.172 ( -0.665 0.022 -3.198) 3.266 4.229 ( -3.518 3.581 4.760) 6.919 4.271 ( -3.586 2.516 3.410) 5.552 4.368 ( 1.046 2.740 1.647) 3.363 4.401 ( -5.440 0.925 1.319) 5.674 4.513 ( 2.760 6.322 2.660) 7.393 4.544 ( -0.025 1.496 4.575) 4.814 4.578 ( 1.559 3.770 2.816) 4.957 4.648 ( -4.425 4.296 -3.591) 7.136 4.781 ( -4.285 -3.715 -3.187) 6.505 4.835 ( 1.818 -1.331 -3.695) 4.328 4.876 ( -4.078 4.487 -10.986) 12.548 5.003 ( 1.583 3.320 2.871) 4.666 5.090 ( -3.973 3.805 -1.553) 5.716 5.186 ( -1.722 -1.400 -5.364) 5.805 5.237 ( -0.897 -6.992 -1.750) 7.263 5.298 ( 2.813 -0.222 -0.835) 2.942 5.318 ( 0.133 -1.551 2.447) 2.901 5.434 ( -3.193 1.091 -7.363) 8.099 5.498 ( 1.408 -0.156 -1.263) 1.898 5.628 ( -1.275 -5.119 2.991) 6.065 5.703 ( 11.285 6.065 -4.198) 13.482 5.795 ( 1.783 3.549 2.371) 4.626 5.932 ( 11.031 4.305 0.830) 11.871 6.164 ( 3.950 -4.991 8.246) 10.417 6.315 ( 7.541 -8.389 4.348) 12.089 6.399 ( -2.984 -3.351 1.391) 4.697 6.469 ( 2.657 -2.847 -2.485) 4.619 6.541 ( -2.611 -2.714 2.006) 4.267 6.585 ( 5.477 -7.251 3.954) 9.910 6.693 ( 1.579 -4.932 -1.421) 5.370 6.822 ( -6.282 -2.013 6.050) 8.951 6.912 ( 5.745 -1.062 6.555) 8.781 7.040 ( 12.725 -1.703 -1.473) 12.922 7.156 ( 4.646 -0.185 1.862) 5.008 7.250 ( -3.356 2.396 -1.152) 4.281 7.259 ( 1.992 0.200 -0.978) 2.228 7.340 ( 0.987 -2.738 -1.046) 3.093 7.507 ( -2.356 1.782 -1.545) 3.334 7.657 ( -6.539 -4.621 -0.344) 8.014 7.744 ( -1.454 -0.297 -0.807) 1.690 7.830 ( -9.466 -0.553 1.477) 9.596 7.929 ( 0.131 -4.231 -1.978) 4.673 8.006 ( -4.610 2.696 -4.171) 6.776 8.089 ( 0.773 -0.609 5.027) 5.122 8.137 ( 1.447 -0.175 -0.863) 1.694 8.268 ( 0.708 1.194 3.153) 3.445 8.353 ( -1.206 -0.601 6.385) 6.526 8.383 ( -0.781 -2.866 3.854) 4.866 8.512 ( -1.796 3.262 4.572) 5.897 8.542 ( 2.470 2.384 -0.007) 3.433 8.685 ( -5.251 2.767 5.456) 8.062 8.889 ( 4.689 0.181 -5.481) 7.216 9.077 ( 1.888 -2.952 -7.275) 8.075 9.185 ( -0.779 -4.445 -1.042) 4.632 9.274 ( -1.941 -1.160 0.293) 2.280 9.415 ( -2.448 3.847 -1.053) 4.680 9.509 ( -2.364 -0.566 -8.971) 9.295 9.584 ( -0.743 -2.992 2.312) 3.853 9.678 ( -2.365 -1.281 1.648) 3.154 9.773 ( -1.271 0.996 -2.445) 2.930 9.824 ( 1.001 -2.310 -7.567) 7.974 9.950 ( -1.553 0.309 0.206) 1.596 10.024 ( -3.419 -0.199 -2.241) 4.093 10.261 ( -2.997 0.694 5.029) 5.895 10.311 ( 0.467 -3.152 5.467) 6.328 10.372 ( 5.906 -1.323 1.097) 6.151 10.452 ( 2.429 0.550 -2.986) 3.888 10.481 ( 4.490 1.021 -2.387) 5.186 10.597 ( 4.672 2.245 -1.464) 5.386 10.831 ( 6.067 -0.391 -0.192) 6.082 10.881 ( 6.459 7.449 1.708) 10.006 10.970 ( 3.857 2.739 -1.585) 4.989 11.172 ( 5.333 9.072 -0.315) 10.529 11.355 ( -3.892 1.419 6.249) 7.497 11.441 ( 3.616 -3.666 3.741) 6.365 11.663 ( 5.714 -4.312 2.402) 7.551 11.797 ( -0.533 -9.502 -3.556) 10.160 12.028 ( 6.314 -1.636 -2.264) 6.904 12.171 ( 1.639 0.605 1.916) 2.593 12.275 ( -5.568 3.489 -0.957) 6.640 12.394 ( -4.679 -0.494 -5.132) 6.962 12.518 ( -3.391 -5.306 -0.110) 6.298 12.565 ( -2.079 -3.886 -1.106) 4.544 12.627 ( -4.815 -0.469 4.987) 6.948 12.778 ( -2.181 -1.581 -6.026) 6.601 12.984 ( 4.378 8.253 -1.384) 9.444 13.129 ( 2.125 4.850 -4.738) 7.106 13.280 ( -2.608 0.636 -0.232) 2.695 13.409 ( -2.534 3.850 -1.708) 4.915 13.529 ( -0.843 3.166 8.004) 8.648 13.570 ( 0.572 2.953 4.470) 5.388 13.896 ( -4.753 16.042 -6.843) 18.077 14.284 ( 0.686 -0.033 -3.758) 3.820 14.397 ( 2.885 0.987 0.215) 3.057 14.695 ( -0.822 0.744 1.211) 1.642 14.813 ( -3.172 -4.171 -6.060) 8.011 14.957 ( -3.446 -0.938 0.544) 3.612 15.339 ( -2.426 -0.154 -1.714) 2.974 15.426 ( -2.088 -1.016 -0.640) 2.409 15.507 ( 2.486 0.935 5.212) 5.850 15.560 ( 2.729 2.157 6.019) 6.952 15.912 ( -5.151 -9.612 2.840) 11.269 15.986 ( -0.789 -7.868 0.212) 7.910 16.279 ( -5.670 -0.422 1.351) 5.844 16.411 ( 1.857 -1.214 -6.894) 7.242 16.788 ( -1.238 5.877 0.863) 6.067 16.847 ( 1.548 2.295 -0.864) 2.900 17.632 ( -0.477 -0.119 1.168) 1.267 17.688 ( 0.821 -0.722 -0.957) 1.453 20.891 ( -1.136 1.014 0.834) 1.736 20.972 ( 0.129 1.007 -1.210) 1.579 21.190 ( -3.701 -3.006 3.750) 6.065 21.314 ( -1.606 -3.289 -4.040) 5.452 21.931 ( 0.051 3.795 0.388) 3.815 21.950 ( 0.972 2.095 -0.824) 2.452 22.012 ( -1.000 5.082 -1.861) 5.504 22.099 ( 0.193 2.757 -2.124) 3.485 22.282 ( -2.809 0.158 2.789) 3.961 22.383 ( 0.125 -1.875 -4.497) 4.874 22.679 ( -2.348 0.480 3.308) 4.085 22.751 ( 0.303 -0.935 -4.119) 4.235 22.877 ( 0.706 -1.890 -1.612) 2.583 23.016 ( 3.210 -0.431 0.602) 3.294 23.060 ( 2.990 -1.153 3.396) 4.669 23.076 ( 3.438 -0.969 2.753) 4.510 23.467 ( -3.081 -1.136 0.087) 3.285 23.657 ( -2.022 -10.837 -2.672) 11.343 23.930 ( 1.340 -1.097 2.542) 3.076 23.977 ( 2.917 0.751 -0.955) 3.160 24.062 ( 0.591 1.341 -1.798) 2.320 24.101 ( 1.141 5.531 0.325) 5.656 24.194 ( -2.758 -0.540 -0.176) 2.816 24.230 ( 0.556 -0.798 -2.731) 2.899 24.533 ( -4.251 0.664 -2.061) 4.771 24.599 ( -0.243 2.311 3.198) 3.953 24.630 ( -1.486 -0.336 2.343) 2.795 24.666 ( -0.363 1.141 -1.201) 1.696 24.744 ( -2.189 0.609 0.869) 2.432 24.872 ( 0.827 -0.739 -3.533) 3.703 25.062 ( 5.009 -0.324 12.987) 13.923 25.372 ( 5.917 -3.287 -4.236) 7.985 ======================= Grid point 103 (53/80) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -8.767 18.152 8.932) 22.048 1.425 ( -11.727 10.702 14.810) 21.712 1.621 ( -1.975 4.337 -2.579) 5.418 1.835 ( -3.934 1.410 -6.344) 7.597 1.944 ( -4.421 -5.868 -0.659) 7.377 2.091 ( 5.887 -1.891 -4.563) 7.685 2.145 ( 6.074 3.771 -7.298) 10.216 2.197 ( -0.847 0.983 0.923) 1.592 2.255 ( -2.642 2.520 -3.057) 4.761 2.270 ( 5.271 -0.467 -6.085) 8.064 2.489 ( 3.440 0.436 5.372) 6.394 2.576 ( 2.250 -0.211 0.241) 2.273 2.592 ( -0.204 -4.505 -0.366) 4.524 2.653 ( -3.104 4.886 0.323) 5.797 2.660 ( 3.592 -1.798 -0.107) 4.018 2.726 ( 2.679 -1.866 -2.750) 4.269 2.833 ( -0.947 -1.846 -1.412) 2.510 2.955 ( 3.095 1.209 1.987) 3.872 2.986 ( -1.648 -1.105 -8.000) 8.242 3.049 ( 0.269 -4.431 -0.581) 4.477 3.126 ( -4.246 -4.338 -5.034) 7.886 3.169 ( -6.286 -0.783 -3.983) 7.483 3.289 ( -0.404 2.825 4.317) 5.175 3.337 ( -1.490 -1.559 8.108) 8.390 3.371 ( -3.194 -1.439 1.567) 3.837 3.435 ( 1.640 1.855 4.345) 5.001 3.496 ( -0.538 -1.580 5.336) 5.591 3.602 ( 1.561 0.935 -1.682) 2.478 3.621 ( 2.632 0.860 -0.121) 2.772 3.744 ( 2.780 1.154 2.124) 3.684 3.785 ( 2.076 -1.638 1.923) 3.270 3.833 ( 0.431 1.678 3.157) 3.601 3.863 ( 0.066 6.949 3.346) 7.713 3.908 ( 0.851 -0.997 -3.093) 3.359 4.055 ( 0.744 0.003 -0.474) 0.882 4.101 ( 0.222 1.751 -0.227) 1.780 4.156 ( 3.141 4.622 0.511) 5.612 4.164 ( -1.263 2.335 -3.258) 4.203 4.194 ( -3.254 -0.911 1.061) 3.542 4.249 ( -2.661 2.435 -3.683) 5.155 4.349 ( 0.391 10.538 -0.339) 10.551 4.413 ( -0.947 0.986 -0.698) 1.535 4.510 ( -1.577 -4.220 -2.103) 4.972 4.527 ( 0.285 7.262 4.531) 8.564 4.584 ( -4.634 6.257 -1.895) 8.013 4.703 ( 5.690 1.582 2.875) 6.568 4.716 ( 4.266 4.958 2.196) 6.900 4.787 ( -0.451 1.541 -1.332) 2.086 4.805 ( -0.692 1.163 -2.525) 2.865 4.913 ( 0.159 2.389 -2.302) 3.322 4.955 ( -6.744 -2.169 -1.716) 7.289 4.995 ( -5.538 3.956 -4.078) 7.934 5.091 ( -2.671 -0.326 1.366) 3.017 5.161 ( -0.813 -3.875 0.048) 3.960 5.216 ( -1.441 -2.132 -2.061) 3.297 5.277 ( 3.058 -5.884 -0.448) 6.646 5.431 ( 1.833 -2.601 4.919) 5.858 5.489 ( -3.894 -2.691 3.405) 5.831 5.560 ( 0.746 6.437 1.654) 6.688 5.911 ( 3.434 3.962 -0.829) 5.308 6.043 ( 4.690 11.323 -2.096) 12.434 6.124 ( -1.074 -6.037 -1.855) 6.406 6.167 ( 2.315 -3.904 3.024) 5.454 6.245 ( -0.621 -4.406 3.595) 5.720 6.353 ( 6.211 0.472 1.666) 6.448 6.396 ( -1.799 -4.083 3.733) 5.817 6.480 ( -0.547 -2.383 -3.600) 4.352 6.572 ( 5.187 -4.422 -0.655) 6.848 6.620 ( -3.648 -2.657 6.283) 7.736 6.808 ( 6.392 -8.507 4.925) 11.725 6.955 ( 2.931 -0.917 -0.010) 3.071 7.084 ( -7.119 -1.519 -5.946) 9.399 7.132 ( 8.334 -8.459 -1.429) 11.961 7.216 ( -0.810 -0.640 2.885) 3.064 7.282 ( -0.071 -5.071 -5.142) 7.222 7.310 ( 1.571 1.211 -2.315) 3.048 7.460 ( -2.748 2.369 -0.207) 3.633 7.519 ( -0.326 0.786 -0.341) 0.917 7.627 ( -3.204 -2.269 1.614) 4.245 7.702 ( 1.207 -4.562 -5.433) 7.196 7.913 ( -2.992 3.978 -1.163) 5.112 7.956 ( -0.117 5.481 -0.551) 5.510 8.132 ( -0.951 -0.665 3.521) 3.707 8.223 ( 4.606 -2.496 1.071) 5.347 8.331 ( 1.810 -0.782 2.969) 3.564 8.370 ( -0.206 -0.548 4.198) 4.239 8.406 ( 0.248 0.195 0.149) 0.349 8.523 ( 1.182 -2.412 -1.890) 3.285 8.705 ( -0.099 5.418 7.458) 9.219 8.753 ( -2.557 5.620 6.477) 8.948 8.905 ( 0.260 -2.875 0.275) 2.900 8.933 ( 1.008 -3.200 -2.012) 3.912 9.139 ( -0.515 1.922 0.259) 2.006 9.234 ( 0.732 -1.868 -1.999) 2.832 9.311 ( -4.102 -0.042 -5.917) 7.200 9.352 ( -3.273 -0.307 -6.771) 7.527 9.595 ( -0.662 -0.566 -0.599) 1.057 9.606 ( 0.941 -2.230 -1.804) 3.019 9.764 ( -0.767 1.349 -1.285) 2.014 9.797 ( 1.636 1.087 -2.004) 2.806 9.948 ( 0.691 0.228 -0.415) 0.838 9.960 ( -1.295 -0.064 -0.796) 1.522 10.304 ( -2.180 -0.363 5.869) 6.271 10.321 ( -0.552 -1.228 4.522) 4.718 10.381 ( 0.196 1.448 -0.034) 1.462 10.470 ( -0.214 -1.948 -1.719) 2.607 10.531 ( 0.067 -2.273 -3.649) 4.299 10.551 ( 6.130 -1.117 -2.588) 6.747 10.978 ( -0.508 5.146 1.906) 5.511 11.077 ( -0.734 5.120 -0.966) 5.262 11.172 ( 1.056 7.427 3.162) 8.141 11.356 ( 2.296 4.962 -4.170) 6.876 11.369 ( -3.274 -3.234 5.668) 7.301 11.483 ( 2.027 -3.083 5.983) 7.030 11.577 ( 3.126 -6.835 -4.303) 8.661 11.649 ( 0.613 -1.232 -1.660) 2.156 12.115 ( -2.620 -1.332 3.218) 4.358 12.130 ( -1.734 2.521 0.330) 3.078 12.213 ( 2.946 -3.716 -0.699) 4.793 12.249 ( -8.343 -3.428 1.899) 9.217 12.447 ( 4.535 -0.131 -4.587) 6.452 12.462 ( 0.714 -0.171 -4.244) 4.307 12.653 ( -1.684 2.353 1.861) 3.441 12.719 ( 2.572 -1.173 -0.861) 2.955 13.103 ( -1.442 0.454 -2.750) 3.138 13.133 ( 1.645 -0.382 -4.360) 4.676 13.363 ( 1.096 4.658 2.802) 5.546 13.426 ( -0.745 1.694 0.055) 1.851 13.694 ( 3.231 6.347 6.188) 9.435 13.775 ( 5.763 1.802 10.320) 11.956 14.007 ( -4.841 11.232 -11.193) 16.579 14.158 ( -5.470 0.168 -8.755) 10.324 14.513 ( 4.933 1.084 1.684) 5.325 14.590 ( -4.867 -0.418 -2.793) 5.627 14.818 ( 5.310 -2.049 1.510) 5.889 14.870 ( -2.369 -2.834 -1.123) 3.861 15.336 ( 0.970 1.185 0.016) 1.532 15.354 ( -1.344 0.027 -0.517) 1.440 15.632 ( 1.655 1.106 4.272) 4.713 15.669 ( 1.808 -0.347 2.876) 3.415 15.740 ( -3.374 -3.514 5.529) 7.369 15.816 ( -1.516 -6.900 2.097) 7.370 16.246 ( -2.104 2.328 -0.341) 3.156 16.350 ( 2.279 -2.647 -4.462) 5.666 16.875 ( -1.128 3.938 0.537) 4.131 16.903 ( 0.684 2.025 -0.709) 2.252 17.636 ( -0.265 0.182 0.707) 0.776 17.668 ( 0.314 -1.124 -0.795) 1.412 20.932 ( 0.554 2.146 1.640) 2.758 20.987 ( 0.587 0.992 -1.075) 1.576 21.122 ( -1.415 -1.723 2.415) 3.287 21.209 ( 1.100 -4.461 -1.953) 4.992 21.985 ( -0.682 2.613 0.232) 2.711 22.023 ( -0.651 4.309 -1.002) 4.472 22.099 ( 0.734 3.865 -1.349) 4.159 22.115 ( 0.264 1.184 -2.493) 2.773 22.248 ( -0.142 -1.343 1.440) 1.974 22.328 ( -1.086 -0.893 -0.665) 1.555 22.675 ( -1.710 -1.357 2.480) 3.304 22.705 ( 0.556 -3.417 0.914) 3.581 22.846 ( 1.401 0.739 -4.254) 4.540 22.959 ( 1.196 -4.246 -7.456) 8.663 23.133 ( 3.362 -0.510 4.467) 5.614 23.147 ( 2.985 -0.852 4.372) 5.362 23.356 ( -4.524 -2.377 -2.325) 5.615 23.376 ( -5.793 -2.624 -2.149) 6.713 23.943 ( -3.086 -0.932 4.119) 5.230 23.961 ( -1.889 -1.525 4.032) 4.707 24.085 ( 2.644 1.066 -2.795) 3.993 24.133 ( 1.059 -0.658 -4.019) 4.208 24.220 ( 0.626 2.471 0.726) 2.651 24.251 ( 1.044 0.927 -0.483) 1.478 24.548 ( -1.616 3.557 3.088) 4.980 24.632 ( -0.625 0.066 2.177) 2.266 24.658 ( -0.684 2.887 -1.673) 3.406 24.696 ( 1.248 1.110 -0.604) 1.775 24.782 ( 0.978 2.395 0.436) 2.623 24.842 ( 1.105 -0.155 -3.223) 3.411 25.175 ( -0.338 -1.182 5.954) 6.080 25.302 ( 0.870 -5.507 -1.843) 5.872 ======================= Grid point 104 (54/80) ======================= q-point: ( 0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.400 11.218 10.847) 15.610 1.434 ( -1.689 5.564 13.863) 15.033 1.651 ( -3.398 6.365 9.222) 11.709 1.730 ( 0.889 4.815 -2.494) 5.495 1.910 ( 1.676 -5.213 -4.033) 6.800 2.029 ( -4.052 5.466 -3.579) 7.688 2.099 ( -1.792 2.180 -8.110) 8.587 2.194 ( 4.965 -2.330 -1.932) 5.815 2.271 ( 4.324 -0.121 -2.268) 4.885 2.326 ( 1.532 3.739 -1.582) 4.340 2.416 ( -6.976 -2.220 2.152) 7.630 2.539 ( 1.039 -1.277 -4.262) 4.569 2.602 ( -0.415 1.355 0.515) 1.508 2.708 ( 0.531 0.528 0.658) 0.997 2.761 ( 1.465 0.002 -0.601) 1.584 2.795 ( 3.136 -0.125 -2.272) 3.874 2.868 ( 6.532 -4.740 2.638) 8.490 2.884 ( 3.537 -3.333 -7.841) 9.225 3.011 ( 3.046 -3.314 -1.514) 4.749 3.045 ( -3.339 -3.952 -1.070) 5.283 3.109 ( 5.557 -2.234 2.694) 6.568 3.116 ( 6.090 -3.138 4.699) 8.308 3.259 ( -5.799 0.183 3.129) 6.591 3.328 ( -1.390 -2.300 2.264) 3.514 3.444 ( 3.225 -1.665 3.629) 5.132 3.500 ( -1.537 1.277 1.373) 2.425 3.556 ( 2.899 -1.977 4.044) 5.354 3.595 ( -0.861 -0.242 -1.643) 1.871 3.661 ( 1.530 7.431 3.861) 8.512 3.779 ( -0.371 3.179 -7.612) 8.257 3.838 ( 3.587 3.008 1.211) 4.835 3.844 ( 2.377 -0.112 0.644) 2.465 3.890 ( 0.197 2.597 -2.920) 3.913 3.961 ( 4.023 0.582 0.516) 4.098 4.025 ( -4.812 -2.773 -2.603) 6.134 4.041 ( -6.222 -1.115 0.099) 6.322 4.084 ( 2.667 5.593 -0.925) 6.265 4.145 ( 0.613 5.005 -0.668) 5.087 4.253 ( 5.724 3.087 0.996) 6.579 4.293 ( 2.748 -1.775 1.996) 3.832 4.357 ( -1.893 8.717 4.637) 10.053 4.447 ( 4.685 1.581 -2.854) 5.709 4.480 ( 0.368 5.010 4.193) 6.543 4.540 ( 0.587 1.688 -0.670) 1.909 4.589 ( -1.575 4.485 3.535) 5.924 4.679 ( -7.919 -1.754 -5.435) 9.764 4.733 ( -1.359 -0.692 -1.162) 1.917 4.758 ( 2.833 2.896 -3.050) 5.071 4.799 ( -2.843 3.135 0.424) 4.253 4.880 ( 4.630 3.977 -1.652) 6.323 4.938 ( 6.929 0.383 5.888) 9.101 5.051 ( -3.336 1.002 1.604) 3.834 5.065 ( 6.703 5.056 2.474) 8.753 5.128 ( -4.631 -0.625 2.948) 5.525 5.193 ( 1.552 -6.627 -3.138) 7.495 5.303 ( 1.265 -3.756 -1.411) 4.208 5.445 ( -3.225 -3.573 1.690) 5.101 5.509 ( 1.219 -6.802 1.158) 7.007 5.610 ( 0.092 12.901 6.284) 14.350 5.905 ( 0.694 6.188 -6.456) 8.969 5.993 ( -6.309 3.852 -6.790) 10.037 6.078 ( 0.573 8.097 -0.282) 8.123 6.182 ( -10.829 -2.038 0.273) 11.022 6.246 ( 2.657 -6.241 1.783) 7.014 6.301 ( -10.358 0.738 3.169) 10.857 6.354 ( 0.528 -11.703 -4.279) 12.472 6.494 ( -3.851 -2.429 0.663) 4.601 6.533 ( 0.785 -4.812 -0.173) 4.879 6.719 ( 0.961 -6.242 3.544) 7.242 6.845 ( -6.999 -1.215 -9.871) 12.161 6.918 ( 1.609 -9.012 0.350) 9.161 7.015 ( -4.606 -5.588 -0.224) 7.245 7.118 ( 3.000 -0.213 -1.098) 3.201 7.218 ( -2.633 -1.702 1.010) 3.294 7.285 ( 3.511 -1.941 -2.295) 4.622 7.324 ( 3.513 -2.935 -2.614) 5.272 7.473 ( 3.671 -2.191 -0.668) 4.327 7.544 ( 2.278 -2.279 1.043) 3.386 7.648 ( 3.497 2.829 0.080) 4.499 7.746 ( 5.243 -1.806 2.187) 5.961 7.845 ( -2.523 5.704 -0.903) 6.302 7.982 ( 1.732 5.575 1.270) 5.975 8.143 ( -0.832 -2.151 1.155) 2.579 8.246 ( -0.950 -3.094 -2.568) 4.132 8.375 ( -0.636 -1.953 1.530) 2.561 8.385 ( -1.069 -0.138 0.573) 1.220 8.418 ( 1.901 0.956 0.998) 2.350 8.529 ( 2.481 -3.166 -3.704) 5.467 8.763 ( -0.971 5.403 5.641) 7.871 8.789 ( -0.999 3.845 5.486) 6.774 8.915 ( 1.682 0.460 0.543) 1.827 8.958 ( 3.103 -0.336 -4.880) 5.793 9.154 ( -1.878 -0.215 2.664) 3.267 9.214 ( -1.457 -3.878 -4.056) 5.798 9.237 ( 2.340 1.499 1.103) 2.990 9.317 ( 5.137 -1.096 1.098) 5.366 9.567 ( -1.423 -0.123 -0.050) 1.429 9.612 ( 1.288 -2.265 -1.638) 3.078 9.758 ( 0.550 1.218 0.011) 1.336 9.818 ( 2.411 -0.048 -1.047) 2.629 9.948 ( 0.788 0.728 -0.627) 1.242 9.971 ( 2.330 -0.401 0.011) 2.364 10.324 ( -2.804 -0.633 4.491) 5.332 10.337 ( -1.097 -1.307 2.285) 2.851 10.389 ( -1.104 1.103 -0.307) 1.590 10.411 ( -2.287 -2.976 -1.015) 3.888 10.479 ( -1.607 2.348 -3.673) 4.646 10.616 ( 4.740 -2.281 -3.522) 6.331 10.917 ( -6.917 4.202 0.564) 8.113 10.999 ( -6.318 3.346 -1.745) 7.360 11.131 ( -5.832 5.981 0.630) 8.377 11.294 ( -11.299 -0.546 4.006) 12.001 11.393 ( 1.325 2.192 -1.542) 2.990 11.504 ( 1.760 -1.543 -1.451) 2.754 11.605 ( -0.641 1.131 0.142) 1.308 11.635 ( 2.272 -6.749 -2.058) 7.412 11.968 ( -9.233 1.404 -0.301) 9.344 12.170 ( 2.489 -7.946 0.370) 8.335 12.194 ( -3.215 2.222 4.047) 5.626 12.312 ( 4.110 -3.843 3.034) 6.393 12.457 ( 2.163 2.238 -1.594) 3.496 12.494 ( 4.608 -0.520 -2.190) 5.128 12.647 ( 0.566 2.312 0.034) 2.381 12.765 ( 3.400 -2.656 -2.333) 4.905 13.054 ( -1.481 1.338 -1.127) 2.292 13.110 ( 1.302 -1.482 -2.631) 3.288 13.405 ( 0.313 3.676 0.082) 3.690 13.458 ( 3.720 2.706 1.079) 4.725 13.779 ( -1.321 9.199 -0.459) 9.305 13.914 ( 5.066 8.864 -0.558) 10.225 13.957 ( -1.719 -0.157 -2.142) 2.751 14.018 ( 5.363 2.375 2.934) 6.559 14.474 ( -5.360 1.535 -2.088) 5.954 14.589 ( 1.151 -2.777 1.257) 3.258 14.786 ( -2.826 1.018 -1.382) 3.307 14.918 ( 3.590 -4.719 -0.254) 5.935 15.356 ( 2.278 1.563 -0.795) 2.875 15.384 ( 3.478 0.038 0.206) 3.484 15.644 ( -1.839 1.415 0.526) 2.380 15.719 ( 0.383 -2.532 0.239) 2.572 15.762 ( -0.332 -3.033 4.984) 5.844 15.813 ( -1.656 -6.490 2.426) 7.124 16.217 ( -1.231 3.220 0.791) 3.537 16.354 ( 2.856 -3.357 -3.389) 5.560 16.862 ( -1.100 4.433 0.870) 4.649 16.910 ( 0.844 1.927 -0.554) 2.175 17.638 ( -0.415 -0.028 0.754) 0.861 17.664 ( 0.163 -1.031 -0.823) 1.329 20.963 ( 1.033 2.219 1.191) 2.722 20.985 ( 1.195 2.017 -1.906) 3.021 21.134 ( -0.435 -1.719 2.616) 3.161 21.229 ( 3.507 -6.049 -2.346) 7.375 21.978 ( -0.731 2.791 0.692) 2.967 22.009 ( -0.191 3.808 0.037) 3.813 22.097 ( 1.122 2.436 -1.409) 3.030 22.110 ( 1.058 1.265 -0.926) 1.891 22.282 ( 0.102 -1.639 2.477) 2.972 22.293 ( -0.262 1.665 -0.736) 1.839 22.654 ( -1.983 -0.968 0.225) 2.218 22.747 ( 1.715 -4.851 1.780) 5.444 22.837 ( 0.876 -0.559 -1.841) 2.114 22.906 ( 1.468 -3.368 -5.585) 6.685 23.145 ( -4.001 1.255 -1.655) 4.508 23.227 ( -0.221 -2.029 -2.281) 3.061 23.296 ( -0.188 -1.346 4.678) 4.871 23.345 ( 2.161 -3.069 5.547) 6.698 23.909 ( -4.389 -0.016 2.950) 5.288 23.970 ( -2.458 -3.002 3.943) 5.532 24.097 ( 1.171 0.988 -2.623) 3.037 24.130 ( 3.458 0.004 -3.261) 4.753 24.216 ( -0.860 2.579 -0.677) 2.802 24.265 ( 0.982 0.580 -0.720) 1.349 24.566 ( -1.462 3.156 4.898) 6.008 24.628 ( -0.306 4.014 -2.095) 4.538 24.645 ( -0.130 0.975 1.685) 1.951 24.710 ( 1.537 0.035 -1.394) 2.075 24.780 ( -0.964 1.075 -1.424) 2.028 24.829 ( 0.824 1.710 -1.842) 2.645 25.188 ( -3.768 -2.163 3.635) 5.665 25.275 ( -1.262 -4.881 -2.286) 5.535 ======================= Grid point 105 (55/80) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 8.234 7.638 4.182) 11.984 1.545 ( -5.811 2.045 12.270) 13.730 1.606 ( -5.462 0.367 9.226) 10.728 1.782 ( -4.573 4.220 2.160) 6.587 1.913 ( 7.290 11.582 1.579) 13.776 2.005 ( 2.016 3.948 1.953) 4.844 2.109 ( -4.995 9.125 -4.056) 11.165 2.128 ( 4.352 1.128 -1.463) 4.728 2.232 ( 2.134 -1.841 -3.484) 4.481 2.403 ( 3.645 -6.029 -2.075) 7.345 2.445 ( 3.172 -1.638 4.820) 5.998 2.575 ( -2.296 -0.017 3.414) 4.115 2.592 ( -3.394 -1.313 -6.381) 7.346 2.635 ( 5.085 -4.585 1.311) 6.971 2.769 ( 3.203 -1.226 -4.173) 5.402 2.810 ( -0.225 -2.699 -0.480) 2.751 2.871 ( 0.702 2.181 0.471) 2.339 2.949 ( 0.366 -5.125 -0.588) 5.172 3.038 ( 5.001 -3.178 -4.519) 7.452 3.096 ( 5.071 -8.473 3.501) 10.477 3.214 ( -1.897 2.028 2.114) 3.490 3.279 ( 5.593 -0.648 5.123) 7.612 3.304 ( 6.680 0.657 2.753) 7.255 3.357 ( 0.892 0.995 3.250) 3.514 3.485 ( 1.241 -2.219 0.700) 2.637 3.530 ( -1.590 -2.651 -3.728) 4.843 3.536 ( 0.856 4.169 2.153) 4.770 3.621 ( 3.574 3.843 -1.369) 5.424 3.658 ( -1.524 1.171 -1.511) 2.445 3.712 ( -4.427 2.389 -2.142) 5.468 3.830 ( 1.428 4.732 2.160) 5.394 3.859 ( -6.819 -0.424 -0.187) 6.835 3.889 ( 0.468 -1.032 -1.930) 2.238 3.910 ( -1.489 -2.584 -2.638) 3.982 3.966 ( 5.919 4.315 -2.755) 7.826 4.066 ( 2.766 0.910 2.372) 3.756 4.152 ( 2.566 8.746 2.230) 9.384 4.231 ( 6.745 1.862 -0.229) 7.001 4.274 ( -5.607 3.289 -3.028) 7.171 4.304 ( -1.668 4.185 3.089) 5.462 4.415 ( -2.612 -0.940 2.453) 3.705 4.476 ( 0.056 -0.612 3.403) 3.458 4.487 ( 0.054 3.564 1.873) 4.026 4.550 ( -1.641 2.976 -1.975) 3.930 4.573 ( -2.177 1.011 1.522) 2.842 4.611 ( 5.747 3.218 1.803) 6.829 4.678 ( -1.844 1.953 -6.733) 7.249 4.762 ( 1.361 6.698 3.233) 7.561 4.845 ( 4.826 2.205 1.505) 5.515 4.943 ( 3.633 2.262 -1.954) 4.705 5.012 ( -4.429 -0.028 2.724) 5.200 5.060 ( 0.795 0.164 3.168) 3.270 5.129 ( 1.543 -0.159 3.370) 3.710 5.197 ( 0.975 -5.463 -0.846) 5.614 5.228 ( 5.302 3.134 5.939) 8.555 5.297 ( 1.107 0.305 -2.246) 2.523 5.403 ( -3.019 -2.672 0.931) 4.138 5.527 ( 1.684 -3.360 -1.075) 3.909 5.634 ( -2.508 9.060 2.043) 9.620 5.825 ( -2.630 6.655 -4.194) 8.294 5.862 ( -1.271 5.500 -6.301) 8.460 5.937 ( -9.133 -0.515 -4.073) 10.014 6.060 ( -4.024 0.603 -5.095) 6.520 6.110 ( -9.817 -3.516 1.661) 10.559 6.303 ( 0.834 -4.626 0.129) 4.703 6.350 ( 2.810 -10.880 -4.051) 11.945 6.422 ( -4.141 -8.573 3.213) 10.049 6.496 ( -5.217 -5.837 -3.283) 8.490 6.652 ( -1.846 -1.302 -6.999) 7.354 6.715 ( -3.820 -4.660 -0.995) 6.107 6.832 ( -5.437 -3.597 -4.048) 7.674 6.963 ( 1.711 -8.765 -1.099) 8.998 7.168 ( -1.259 1.791 0.343) 2.215 7.256 ( 5.279 -1.050 2.639) 5.994 7.313 ( 3.036 -0.767 -1.651) 3.540 7.369 ( 3.679 2.633 -2.302) 5.076 7.510 ( 1.767 -2.449 -1.861) 3.547 7.592 ( 1.130 -3.966 0.664) 4.177 7.697 ( 0.331 2.248 1.131) 2.538 7.814 ( 1.633 4.141 2.435) 5.074 7.893 ( 5.307 -2.676 1.601) 6.155 8.017 ( -0.487 4.890 1.491) 5.135 8.109 ( -1.232 -5.503 -2.300) 6.090 8.193 ( -2.367 -2.758 0.106) 3.636 8.354 ( -0.528 3.009 -2.021) 3.663 8.397 ( 1.221 0.057 1.291) 1.778 8.450 ( 1.136 2.466 -0.547) 2.770 8.540 ( 2.516 -1.189 -1.747) 3.286 8.787 ( -1.098 6.067 2.062) 6.501 8.834 ( 0.248 1.987 1.394) 2.440 8.920 ( -0.981 0.308 -1.121) 1.521 8.937 ( 1.330 2.746 -4.156) 5.156 9.128 ( -1.675 -1.759 2.438) 3.441 9.186 ( 0.036 -5.473 0.880) 5.544 9.373 ( 5.015 0.287 6.066) 7.875 9.445 ( 3.437 -1.501 5.043) 6.285 9.558 ( 1.890 1.600 -0.429) 2.513 9.626 ( 2.113 -2.068 -0.863) 3.080 9.769 ( -0.411 0.579 1.472) 1.634 9.845 ( 1.416 -1.413 -0.638) 2.100 9.975 ( 3.237 0.852 -0.898) 3.465 10.028 ( 3.790 -0.968 0.235) 3.919 10.239 ( -6.646 0.047 -1.384) 6.789 10.304 ( -5.122 -2.546 -2.306) 6.168 10.360 ( -1.723 -0.675 2.159) 2.844 10.407 ( 0.973 -0.790 2.310) 2.628 10.453 ( 1.298 5.693 -0.720) 5.883 10.641 ( 2.830 -3.207 -3.888) 5.780 10.810 ( -3.143 3.570 -2.544) 5.394 10.861 ( -6.340 1.841 -2.335) 7.002 11.021 ( -6.960 2.675 -0.203) 7.459 11.105 ( -10.820 0.612 0.681) 10.859 11.369 ( -1.489 3.767 -0.631) 4.100 11.521 ( 0.113 -4.335 -3.699) 5.699 11.571 ( 0.656 -0.570 -1.841) 2.036 11.658 ( -0.109 -4.823 0.446) 4.845 11.877 ( -0.550 4.037 1.190) 4.245 12.106 ( -6.845 4.078 -0.183) 7.970 12.262 ( 3.763 -8.466 2.486) 9.593 12.398 ( 1.472 -4.343 3.053) 5.509 12.484 ( -1.600 1.515 5.611) 6.028 12.541 ( 1.982 -1.575 -0.455) 2.572 12.685 ( 4.898 1.911 -2.188) 5.695 12.781 ( 2.162 -3.865 -2.509) 5.090 13.038 ( 1.265 3.250 -1.571) 3.825 13.130 ( 3.109 -1.255 -2.666) 4.283 13.380 ( -2.036 4.908 -1.211) 5.449 13.513 ( 0.353 0.089 0.389) 0.533 13.736 ( 0.341 7.281 -3.397) 8.041 13.824 ( -0.527 2.896 -7.707) 8.250 14.074 ( 4.331 8.099 5.190) 10.549 14.186 ( 3.197 1.983 5.305) 6.504 14.391 ( -1.390 3.001 0.549) 3.353 14.600 ( -0.195 -5.274 3.208) 6.176 14.770 ( 1.032 3.133 -0.002) 3.298 14.963 ( 2.374 -4.843 0.161) 5.396 15.383 ( 1.421 1.126 -1.772) 2.535 15.425 ( 1.190 -1.119 -1.112) 1.976 15.605 ( -1.226 2.660 -2.184) 3.654 15.688 ( -1.909 -1.905 -3.327) 4.283 15.794 ( -1.883 -5.376 3.938) 6.925 15.820 ( -0.251 -6.420 2.698) 6.968 16.227 ( 0.170 2.772 2.711) 3.881 16.373 ( 2.656 -4.292 -2.350) 5.568 16.858 ( -0.596 4.786 1.259) 4.985 16.918 ( 0.559 1.903 -0.541) 2.056 17.637 ( -0.542 -0.060 0.690) 0.880 17.659 ( 0.288 -0.909 -0.732) 1.202 20.979 ( 0.495 1.995 -0.405) 2.095 20.992 ( 1.078 2.016 -1.275) 2.617 21.155 ( -0.465 -1.646 2.634) 3.140 21.265 ( 3.519 -7.206 -2.894) 8.526 21.977 ( -0.363 3.464 1.008) 3.626 22.017 ( 0.141 3.900 1.222) 4.089 22.111 ( 1.617 2.635 -0.784) 3.189 22.129 ( 1.555 0.768 0.036) 1.735 22.255 ( -0.590 -0.125 -1.091) 1.246 22.347 ( 1.150 -2.357 2.923) 3.927 22.626 ( -1.588 0.765 1.360) 2.227 22.776 ( -0.647 -3.964 1.672) 4.350 22.841 ( 2.600 1.057 -2.162) 3.543 22.908 ( 2.435 -3.102 -1.709) 4.298 23.054 ( -3.154 1.435 -2.497) 4.271 23.136 ( -3.020 -2.330 -4.872) 6.188 23.403 ( 2.378 -1.154 6.743) 7.243 23.454 ( 2.321 -2.971 5.789) 6.908 23.863 ( -3.852 0.659 2.414) 4.594 23.966 ( -2.823 -4.238 4.656) 6.900 24.077 ( 0.826 2.809 -4.037) 4.987 24.167 ( 3.251 -0.649 -1.854) 3.799 24.189 ( -1.120 3.163 -0.776) 3.444 24.264 ( 0.338 0.040 -1.644) 1.679 24.588 ( -1.943 1.963 4.551) 5.323 24.609 ( 0.031 4.545 -1.050) 4.665 24.664 ( 0.462 1.760 1.523) 2.373 24.714 ( 1.084 -0.485 -2.184) 2.486 24.737 ( -1.097 -0.420 -2.126) 2.429 24.830 ( 1.058 0.530 -1.205) 1.689 25.135 ( -5.549 -1.045 2.237) 6.073 25.227 ( -0.621 -3.732 -3.064) 4.869 ======================= Grid point 106 (56/80) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -9.644 10.633 11.515) 18.403 1.610 ( -5.655 3.751 6.065) 9.101 1.674 ( 4.847 6.504 -4.376) 9.217 1.844 ( 6.094 -0.698 14.282) 15.543 1.913 ( -2.088 8.376 1.077) 8.699 2.066 ( 1.746 2.604 4.603) 5.570 2.143 ( 5.107 0.327 -1.121) 5.239 2.218 ( 4.091 -0.389 -8.023) 9.014 2.229 ( 3.416 3.703 3.326) 6.037 2.373 ( -3.046 -4.527 -5.620) 7.833 2.439 ( 0.084 -5.483 -9.101) 10.626 2.485 ( 0.240 -0.970 -3.570) 3.707 2.647 ( -1.008 -0.219 9.743) 9.797 2.725 ( -1.101 -0.496 0.562) 1.332 2.776 ( 0.597 -0.249 -0.191) 0.674 2.804 ( -0.890 -0.574 2.499) 2.715 2.889 ( 3.791 4.686 -2.449) 6.506 2.988 ( 3.066 -0.109 2.346) 3.862 3.077 ( 3.724 -3.579 -2.507) 5.741 3.190 ( -2.672 -2.519 3.386) 4.995 3.227 ( 3.134 -0.161 2.853) 4.241 3.302 ( -1.321 -0.391 -0.781) 1.584 3.333 ( -3.003 -1.502 -1.670) 3.751 3.382 ( -4.113 -0.138 -3.260) 5.250 3.424 ( -4.413 3.163 -0.171) 5.433 3.562 ( -0.397 0.159 3.173) 3.201 3.582 ( 1.532 -0.620 -0.017) 1.653 3.603 ( 0.525 -1.323 0.807) 1.636 3.665 ( -1.106 -2.994 2.230) 3.894 3.712 ( -3.249 -1.603 -2.084) 4.180 3.748 ( 4.207 3.420 3.789) 6.615 3.800 ( -7.533 0.701 1.513) 7.715 3.910 ( 1.269 1.734 2.132) 3.027 3.950 ( 2.250 0.472 0.877) 2.461 3.987 ( 1.714 8.897 -2.392) 9.371 4.101 ( 0.155 2.463 -0.753) 2.580 4.128 ( 0.636 7.177 -0.568) 7.228 4.214 ( -5.185 5.957 1.755) 8.091 4.278 ( 1.121 3.825 -4.818) 6.253 4.307 ( -6.042 3.310 -1.015) 6.963 4.364 ( 0.357 1.214 4.124) 4.314 4.434 ( -2.358 5.599 -5.111) 7.939 4.470 ( 1.422 5.488 -2.016) 6.017 4.527 ( 2.941 0.984 -1.965) 3.672 4.585 ( 1.124 2.029 5.513) 5.981 4.680 ( 2.599 -1.455 3.937) 4.937 4.780 ( 4.037 2.937 -0.164) 4.995 4.811 ( -0.217 3.180 1.257) 3.426 4.919 ( 3.042 1.512 2.066) 3.975 4.952 ( -4.066 2.211 0.824) 4.701 4.997 ( 2.308 -0.081 3.529) 4.218 5.087 ( -1.766 -3.801 3.650) 5.558 5.163 ( -1.571 1.503 1.151) 2.460 5.212 ( 3.762 -5.269 0.562) 6.499 5.246 ( -1.240 -1.542 -1.820) 2.688 5.363 ( 1.272 1.177 0.142) 1.738 5.392 ( 0.381 0.740 4.495) 4.571 5.545 ( 1.666 4.881 -2.151) 5.588 5.582 ( -5.524 -3.501 -2.088) 6.865 5.734 ( 0.810 2.914 -6.006) 6.724 5.754 ( -1.579 3.567 -1.026) 4.034 5.866 ( -4.486 -2.198 -6.392) 8.113 5.938 ( 2.294 2.150 -2.165) 3.818 6.025 ( 0.258 -5.429 -0.643) 5.473 6.235 ( -5.605 -7.596 -1.955) 9.640 6.374 ( 0.440 -6.402 1.507) 6.592 6.401 ( 3.783 -10.948 -5.476) 12.812 6.438 ( 0.594 -5.100 -0.008) 5.134 6.579 ( -3.540 -2.527 -1.204) 4.513 6.634 ( 0.206 -5.587 -3.544) 6.619 6.779 ( 0.513 1.427 -0.088) 1.519 6.960 ( 1.601 -3.461 -4.081) 5.585 7.208 ( 3.902 4.132 2.729) 6.305 7.295 ( -2.636 0.076 -1.714) 3.145 7.336 ( 1.606 1.880 -1.559) 2.923 7.391 ( 0.230 3.457 -1.883) 3.943 7.519 ( 0.083 -3.287 0.179) 3.293 7.598 ( 1.432 -3.604 -0.636) 3.930 7.697 ( -0.462 -4.606 2.623) 5.321 7.888 ( -2.366 -6.507 -6.622) 9.580 7.924 ( 4.914 3.332 5.616) 8.172 8.026 ( -1.061 3.427 3.627) 5.102 8.098 ( -2.007 2.145 0.884) 3.068 8.174 ( 1.281 -3.872 0.249) 4.086 8.309 ( -1.503 2.657 -2.931) 4.232 8.397 ( -2.492 -1.733 -4.450) 5.386 8.483 ( 1.915 5.491 3.963) 7.038 8.572 ( 0.918 1.719 0.694) 2.069 8.732 ( -5.963 3.552 -1.097) 7.027 8.813 ( 0.219 1.400 -2.111) 2.543 8.870 ( -4.504 0.863 1.708) 4.894 8.973 ( 5.391 2.345 -2.030) 6.220 9.137 ( -3.089 -3.150 4.977) 6.651 9.213 ( 2.384 -3.632 0.175) 4.348 9.477 ( 1.235 0.026 3.628) 3.833 9.492 ( -0.222 0.090 2.282) 2.295 9.632 ( 2.227 2.485 2.535) 4.191 9.674 ( 3.351 -1.095 1.033) 3.674 9.766 ( -1.624 -0.917 1.048) 2.140 9.843 ( 0.020 -2.839 -2.107) 3.536 10.037 ( 4.668 0.074 -0.426) 4.688 10.076 ( -0.465 -0.490 0.901) 1.126 10.139 ( -0.575 -1.341 -3.070) 3.399 10.180 ( -4.604 -2.386 -2.772) 5.880 10.373 ( -0.926 1.413 3.256) 3.669 10.451 ( 0.912 2.552 2.814) 3.907 10.481 ( 2.437 1.004 -0.505) 2.684 10.629 ( 0.006 -1.648 -4.585) 4.872 10.750 ( -1.784 2.542 -2.629) 4.069 10.784 ( 2.214 1.931 -2.914) 4.138 10.924 ( -2.458 0.065 1.343) 2.801 11.012 ( 1.031 1.734 -1.844) 2.733 11.358 ( 0.833 2.662 0.125) 2.792 11.439 ( -2.332 -1.235 -3.966) 4.764 11.601 ( -0.754 -2.968 0.201) 3.069 11.633 ( 0.741 -5.278 -1.303) 5.487 11.932 ( 0.702 4.430 2.337) 5.058 12.003 ( -1.126 5.299 -0.842) 5.482 12.341 ( 1.977 -8.738 2.990) 9.444 12.409 ( -0.929 -6.624 -0.338) 6.697 12.510 ( -3.233 1.451 6.756) 7.629 12.559 ( -0.855 -1.564 2.098) 2.753 12.754 ( 4.965 2.071 -2.954) 6.138 12.784 ( 0.579 -1.859 -2.013) 2.800 13.063 ( 3.650 3.261 -2.200) 5.366 13.129 ( 1.547 0.139 -5.087) 5.319 13.345 ( -1.476 2.415 1.957) 3.441 13.464 ( -4.075 -1.985 -2.009) 4.958 13.721 ( 0.079 6.829 -1.601) 7.015 13.757 ( -1.691 4.889 -4.169) 6.645 14.155 ( 1.957 5.280 2.472) 6.150 14.193 ( -1.962 3.963 0.182) 4.426 14.488 ( 6.073 3.344 5.542) 8.876 14.626 ( -2.051 -2.153 0.674) 3.049 14.832 ( 4.093 1.282 4.320) 6.088 14.997 ( 0.855 -5.129 -1.024) 5.299 15.354 ( -1.414 -0.125 -1.851) 2.333 15.410 ( -0.710 -1.779 -2.068) 2.819 15.566 ( -0.788 1.531 -2.522) 3.054 15.598 ( -2.429 -0.190 -4.857) 5.434 15.798 ( -3.097 -5.663 5.170) 8.270 15.838 ( -0.755 -6.323 2.086) 6.701 16.267 ( 0.605 1.288 3.058) 3.373 16.389 ( 1.891 -4.430 -2.542) 5.446 16.867 ( -0.173 4.559 1.579) 4.828 16.917 ( 0.155 2.065 -0.861) 2.243 17.635 ( -0.517 0.112 0.597) 0.797 17.659 ( 0.552 -0.886 -0.629) 1.219 20.971 ( -1.390 1.637 -0.057) 2.148 20.993 ( 0.987 1.388 -1.438) 2.229 21.165 ( -1.638 -1.891 2.718) 3.694 21.281 ( 1.981 -7.335 -3.283) 8.277 21.988 ( 0.085 4.223 1.653) 4.536 22.029 ( -0.086 4.625 0.572) 4.662 22.134 ( 1.789 2.106 -0.512) 2.810 22.154 ( 1.370 1.527 -0.786) 2.197 22.250 ( -0.062 -1.176 1.160) 1.653 22.358 ( -0.563 -6.141 -1.704) 6.397 22.644 ( -1.524 2.666 6.486) 7.176 22.773 ( -2.126 -2.663 2.629) 4.304 22.878 ( 4.322 1.301 -2.297) 5.064 22.931 ( 3.114 -0.526 -3.646) 4.824 22.996 ( -1.076 1.009 -1.497) 2.102 23.047 ( -1.693 -1.657 -3.891) 4.556 23.482 ( -0.454 -0.845 4.821) 4.916 23.526 ( 1.176 -2.435 2.594) 3.747 23.843 ( -1.811 0.785 3.402) 3.933 23.976 ( -2.175 -4.926 5.247) 7.519 24.054 ( 1.214 4.151 -2.983) 5.254 24.167 ( -0.752 3.710 0.002) 3.785 24.189 ( 2.045 -0.738 -2.925) 3.645 24.247 ( 0.018 -0.218 -1.865) 1.878 24.592 ( -1.718 0.881 2.569) 3.213 24.601 ( -1.077 3.050 1.010) 3.389 24.690 ( 0.536 0.377 0.691) 0.952 24.709 ( -0.291 0.430 -0.556) 0.760 24.711 ( 1.337 -1.133 -1.741) 2.470 24.837 ( 1.744 -1.668 -2.354) 3.372 25.059 ( -5.646 2.077 2.520) 6.523 25.207 ( 2.402 -3.334 -3.374) 5.317 ======================= Grid point 107 (57/80) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -5.276 15.621 12.110) 20.457 1.492 ( -11.938 11.334 9.194) 18.855 1.744 ( 6.503 4.999 -0.641) 8.227 1.932 ( -1.510 6.037 2.534) 6.719 2.023 ( 2.802 -5.047 -9.849) 11.416 2.090 ( -3.202 -3.540 3.118) 5.701 2.173 ( 0.195 -1.275 7.038) 7.155 2.183 ( 5.561 3.614 -11.446) 13.229 2.271 ( -1.530 -4.939 -1.150) 5.297 2.344 ( -0.781 -0.202 -9.675) 9.709 2.398 ( 8.752 0.048 1.771) 8.929 2.449 ( 0.617 -1.308 -1.574) 2.138 2.654 ( -4.927 -2.135 2.678) 6.001 2.695 ( -1.177 4.131 -1.190) 4.457 2.742 ( -4.970 -2.318 4.499) 7.093 2.786 ( -3.897 1.221 2.357) 4.715 2.933 ( 1.368 1.626 -5.922) 6.292 2.998 ( -0.210 -0.347 -5.958) 5.971 3.079 ( -5.046 -0.157 -0.389) 5.064 3.161 ( -8.595 3.332 2.478) 9.546 3.220 ( -3.890 -2.063 3.652) 5.720 3.250 ( 2.454 2.349 4.626) 5.739 3.257 ( -2.430 6.341 1.531) 6.961 3.356 ( 0.680 -1.979 -1.371) 2.502 3.396 ( 0.026 1.003 2.782) 2.958 3.503 ( -1.109 -3.214 -1.501) 3.717 3.562 ( -2.272 0.831 0.907) 2.583 3.586 ( -6.382 -0.018 0.907) 6.447 3.625 ( -3.169 0.802 3.634) 4.888 3.721 ( 1.000 0.803 -3.743) 3.957 3.795 ( -1.671 -3.688 2.366) 4.690 3.826 ( 2.888 -2.771 1.697) 4.348 3.870 ( -4.687 2.202 1.359) 5.354 3.954 ( -6.317 3.631 -2.266) 7.631 3.996 ( -2.340 2.051 -4.943) 5.841 4.032 ( 0.632 1.930 -0.430) 2.076 4.103 ( 0.877 0.260 -0.168) 0.930 4.237 ( 4.545 6.227 -1.332) 7.823 4.243 ( 1.341 7.239 3.852) 8.309 4.297 ( 2.527 4.691 4.576) 7.024 4.384 ( -0.658 6.594 -0.097) 6.628 4.405 ( 0.079 7.483 -2.289) 7.826 4.495 ( 0.503 3.808 0.454) 3.868 4.576 ( 4.342 4.339 -1.184) 6.251 4.659 ( -1.443 6.512 4.162) 7.862 4.704 ( -2.065 1.093 -2.040) 3.102 4.760 ( -0.028 -3.006 0.139) 3.009 4.778 ( -3.053 0.420 0.390) 3.107 4.871 ( -5.209 0.961 -1.502) 5.506 4.989 ( -0.441 -1.552 2.919) 3.335 5.043 ( -1.217 -0.924 1.935) 2.465 5.053 ( -2.842 -8.285 1.115) 8.829 5.184 ( -1.785 -1.279 -1.585) 2.708 5.205 ( 0.136 4.283 0.679) 4.338 5.281 ( 0.016 -1.155 4.723) 4.862 5.333 ( 0.736 -1.619 -8.006) 8.202 5.444 ( -0.259 -3.400 2.517) 4.238 5.507 ( -3.682 -2.546 5.564) 7.141 5.598 ( 3.273 4.313 0.946) 5.496 5.664 ( 5.999 5.677 -7.923) 11.446 5.787 ( 3.480 2.613 -1.907) 4.751 5.840 ( 8.280 2.075 1.310) 8.636 5.952 ( 2.710 -6.156 -1.793) 6.961 6.105 ( 0.950 1.182 2.591) 3.002 6.175 ( 3.096 -11.527 -0.247) 11.938 6.385 ( -0.119 -6.499 0.983) 6.573 6.428 ( -1.129 -4.471 0.700) 4.664 6.436 ( 6.615 -9.128 -6.030) 12.785 6.547 ( -0.151 -2.415 0.482) 2.468 6.660 ( 3.661 -6.448 1.095) 7.495 6.827 ( 4.150 2.612 0.469) 4.925 6.958 ( 2.752 -0.826 -3.595) 4.602 7.198 ( -3.373 3.140 -1.970) 5.012 7.280 ( -1.546 5.376 -2.480) 6.119 7.313 ( -1.920 -1.934 -0.746) 2.826 7.356 ( 1.494 1.150 -0.078) 1.887 7.539 ( 0.839 -0.532 2.899) 3.064 7.619 ( 1.588 -3.073 -2.730) 4.407 7.755 ( -1.852 -9.195 1.753) 9.542 7.773 ( -0.546 -4.644 -1.570) 4.933 7.962 ( -3.925 2.130 -2.161) 4.961 8.051 ( 0.496 1.267 4.503) 4.704 8.090 ( -0.421 5.419 1.848) 5.741 8.185 ( 0.120 0.309 -4.358) 4.371 8.271 ( -3.060 -1.530 -2.266) 4.104 8.294 ( -1.641 -1.252 3.511) 4.073 8.485 ( -4.246 4.498 -0.520) 6.207 8.580 ( -1.532 1.269 -0.907) 2.186 8.630 ( -5.005 5.970 5.399) 9.478 8.801 ( -4.658 5.170 3.495) 7.787 8.843 ( 2.791 -2.698 -1.542) 4.177 9.021 ( 1.276 -3.304 -1.939) 4.038 9.135 ( -0.075 -1.198 1.231) 1.719 9.242 ( 0.103 -2.877 0.720) 2.967 9.499 ( -0.976 1.347 1.454) 2.210 9.530 ( 1.519 0.055 0.848) 1.741 9.626 ( -3.226 1.793 -2.494) 4.454 9.698 ( -1.659 -1.291 -1.040) 2.345 9.770 ( 1.632 -0.782 1.504) 2.353 9.817 ( 0.522 -1.832 -3.224) 3.745 10.015 ( -3.241 0.726 -1.146) 3.513 10.083 ( -3.045 -2.449 -2.579) 4.682 10.153 ( 5.989 -1.522 3.062) 6.897 10.170 ( 2.203 -2.586 2.421) 4.172 10.388 ( -0.422 3.332 2.327) 4.086 10.488 ( -0.741 -0.150 -0.303) 0.815 10.495 ( 0.279 2.084 -1.843) 2.796 10.554 ( -0.592 -0.787 -3.438) 3.576 10.755 ( 5.470 2.659 -1.226) 6.204 10.861 ( 8.987 2.473 -0.867) 9.361 10.977 ( 5.431 3.565 0.123) 6.498 11.097 ( 8.546 0.345 1.495) 8.682 11.367 ( -1.562 -1.681 -0.072) 2.296 11.421 ( 4.313 2.834 -0.747) 5.214 11.532 ( -3.925 -2.465 -0.594) 4.673 11.669 ( 1.412 -4.862 -0.172) 5.066 11.911 ( 0.683 1.956 -0.397) 2.109 12.080 ( 4.542 0.759 1.596) 4.874 12.352 ( -0.384 -4.910 -1.399) 5.119 12.437 ( 2.144 -6.724 2.512) 7.491 12.498 ( -5.154 0.542 4.894) 7.128 12.529 ( -5.611 -1.168 1.470) 5.916 12.712 ( -3.138 2.668 -3.131) 5.174 12.798 ( 1.897 -0.824 -4.816) 5.241 13.075 ( 2.626 3.625 -3.956) 5.974 13.144 ( 4.736 0.571 -3.439) 5.880 13.350 ( -3.133 0.464 1.833) 3.659 13.409 ( 0.573 -0.908 3.363) 3.530 13.658 ( -5.674 5.909 -1.193) 8.278 13.684 ( -3.701 4.596 -0.004) 5.901 14.192 ( 2.400 7.077 -0.415) 7.485 14.233 ( 4.207 2.023 1.558) 4.921 14.538 ( -4.932 3.346 -4.414) 7.416 14.638 ( 4.943 1.091 3.834) 6.350 14.883 ( -4.811 -2.510 -2.626) 6.028 14.953 ( -1.037 -4.422 -1.825) 4.895 15.343 ( 0.103 -0.754 1.464) 1.650 15.385 ( 0.760 -1.908 -0.748) 2.186 15.531 ( -0.777 1.646 0.823) 1.998 15.541 ( -1.180 0.952 -0.876) 1.751 15.788 ( -4.225 -5.186 4.963) 8.329 15.837 ( -1.607 -6.562 1.774) 6.985 16.295 ( -0.506 0.239 1.778) 1.864 16.384 ( 1.334 -3.673 -3.631) 5.334 16.882 ( -0.018 3.753 1.451) 4.023 16.907 ( -0.024 2.433 -1.095) 2.668 17.633 ( -0.364 0.317 0.550) 0.731 17.664 ( 0.685 -0.984 -0.611) 1.346 20.940 ( -2.034 1.625 0.355) 2.627 20.993 ( 0.202 0.418 -0.673) 0.817 21.155 ( -2.549 -1.901 2.440) 4.008 21.265 ( -0.011 -6.165 -2.896) 6.812 22.008 ( -0.005 4.678 1.229) 4.837 22.025 ( -0.255 4.959 0.040) 4.966 22.147 ( 0.166 2.499 -3.163) 4.034 22.154 ( 1.293 1.690 -1.355) 2.523 22.269 ( -0.649 -1.798 2.524) 3.166 22.322 ( -0.221 -6.357 -2.070) 6.689 22.673 ( -3.178 0.839 6.338) 7.140 22.749 ( -3.454 -2.622 2.124) 4.829 22.917 ( 2.813 1.975 -6.407) 7.271 22.956 ( 6.303 0.697 -3.820) 7.404 22.989 ( 0.387 0.236 1.327) 1.402 23.011 ( 0.824 -0.907 -1.341) 1.816 23.490 ( -2.539 -0.239 2.129) 3.322 23.547 ( -0.602 -3.577 0.088) 3.629 23.868 ( -0.517 0.476 4.793) 4.845 23.981 ( -0.921 -2.230 0.992) 2.608 24.066 ( 1.123 1.580 0.220) 1.951 24.164 ( -0.778 2.963 1.447) 3.388 24.189 ( 2.302 -1.021 -3.516) 4.325 24.234 ( 0.657 0.554 -1.484) 1.715 24.586 ( -1.487 -0.050 1.471) 2.092 24.600 ( -1.031 1.356 2.691) 3.185 24.668 ( 0.001 0.855 -2.846) 2.972 24.712 ( 0.115 0.300 -1.115) 1.161 24.735 ( -0.138 -0.031 3.041) 3.044 24.838 ( 2.551 -3.153 -4.150) 5.802 25.024 ( -2.558 5.582 5.765) 8.423 25.236 ( 4.378 -4.130 -2.756) 6.620 ======================= Grid point 108 (58/80) ======================= q-point: (-0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -10.645 17.435 2.795) 20.618 1.472 ( -10.882 14.304 13.710) 22.605 1.782 ( -9.557 1.849 -2.656) 10.090 1.860 ( 4.343 5.655 0.071) 7.131 2.005 ( 3.052 -2.187 -3.609) 5.208 2.058 ( -3.891 -5.352 3.516) 7.492 2.135 ( 2.258 0.877 -6.503) 6.939 2.199 ( 0.035 4.107 -9.622) 10.462 2.239 ( 3.711 -1.930 -1.355) 4.397 2.287 ( 2.990 1.260 -2.901) 4.352 2.440 ( -2.580 3.702 1.054) 4.634 2.534 ( 4.287 -1.087 1.280) 4.604 2.591 ( -0.970 -4.434 -3.730) 5.874 2.686 ( -0.126 -2.391 1.893) 3.052 2.718 ( -6.047 -4.004 1.297) 7.367 2.757 ( -2.105 -3.687 -1.832) 4.624 2.823 ( 0.615 1.370 0.557) 1.602 2.925 ( -1.546 1.129 -2.423) 3.088 3.005 ( 0.834 -1.808 -4.032) 4.497 3.130 ( -1.427 -0.287 -0.128) 1.461 3.209 ( -2.079 4.293 5.783) 7.496 3.270 ( -2.956 1.768 -3.996) 5.275 3.272 ( -2.967 2.201 2.455) 4.436 3.312 ( -4.734 1.706 4.967) 7.071 3.430 ( -1.286 3.305 0.230) 3.554 3.450 ( -2.358 1.168 0.476) 2.675 3.500 ( -5.260 -2.250 -2.037) 6.073 3.551 ( 1.674 -0.893 1.848) 2.649 3.596 ( -1.759 -1.574 0.136) 2.364 3.689 ( 2.917 6.165 -0.758) 6.862 3.744 ( -2.101 -5.454 2.572) 6.385 3.818 ( -3.897 -0.726 1.606) 4.277 3.862 ( -0.416 5.035 3.511) 6.152 3.931 ( -1.566 -0.089 -1.131) 1.934 3.976 ( 4.924 0.053 3.574) 6.084 4.053 ( 4.912 1.554 -0.770) 5.209 4.101 ( 0.116 -5.100 -3.017) 5.927 4.255 ( -5.693 6.242 0.744) 8.481 4.303 ( 0.087 4.055 0.733) 4.122 4.320 ( -1.561 7.937 -4.222) 9.124 4.366 ( 0.194 5.252 -2.230) 5.709 4.422 ( 1.115 5.167 4.159) 6.726 4.476 ( -3.600 5.606 -0.476) 6.679 4.590 ( 0.912 4.493 2.291) 5.125 4.613 ( -3.170 -1.995 -3.190) 4.920 4.669 ( -3.134 3.112 2.150) 4.912 4.711 ( 1.939 0.571 0.137) 2.026 4.752 ( -3.893 3.205 -3.231) 5.989 4.853 ( 2.915 2.653 -0.224) 3.947 4.920 ( -3.482 -0.843 -3.111) 4.745 5.029 ( -2.282 -4.822 3.325) 6.286 5.074 ( 0.690 -1.059 0.779) 1.484 5.159 ( -4.354 2.780 0.746) 5.219 5.197 ( 2.695 -2.114 -0.331) 3.441 5.251 ( -4.184 -2.567 -3.340) 5.937 5.281 ( -2.683 -0.952 -0.675) 2.926 5.410 ( -2.671 -1.548 -0.846) 3.201 5.514 ( -2.973 -5.018 4.216) 7.196 5.548 ( -0.325 5.135 -2.148) 5.576 5.817 ( 6.956 2.830 0.659) 7.538 5.933 ( 9.715 6.033 1.163) 11.495 6.032 ( 10.098 -2.137 3.368) 10.857 6.065 ( 10.389 2.819 2.517) 11.055 6.120 ( 0.296 -5.758 3.516) 6.753 6.271 ( 4.242 -7.658 0.767) 8.789 6.372 ( -0.119 -3.896 -1.310) 4.112 6.449 ( 1.991 -5.744 3.066) 6.809 6.537 ( 0.468 1.093 1.553) 1.956 6.558 ( 7.156 -8.896 -0.528) 11.429 6.728 ( -0.477 -6.631 3.641) 7.579 6.904 ( 2.899 0.923 1.134) 3.247 6.984 ( 6.877 -3.181 -2.708) 8.047 7.172 ( -0.764 -0.552 0.346) 1.005 7.222 ( 0.472 2.086 -2.181) 3.054 7.292 ( 1.066 -2.481 -1.826) 3.260 7.344 ( -1.850 1.729 -3.211) 4.090 7.526 ( -3.083 0.284 -0.647) 3.163 7.596 ( -4.003 1.238 -2.262) 4.762 7.676 ( -2.409 -6.626 -1.240) 7.158 7.767 ( -2.515 -1.195 -0.569) 2.842 7.948 ( 0.913 -0.607 -1.483) 1.845 8.014 ( -4.210 -0.018 -1.459) 4.456 8.085 ( 0.272 0.863 3.060) 3.191 8.154 ( 0.425 0.154 0.713) 0.844 8.273 ( 1.539 0.777 2.542) 3.072 8.339 ( -0.894 -0.882 5.546) 5.687 8.403 ( -1.839 3.675 -1.202) 4.282 8.537 ( -1.224 -1.067 -0.578) 1.723 8.644 ( -2.214 7.195 7.061) 10.321 8.760 ( -4.102 4.369 3.961) 7.184 8.876 ( 1.379 -1.830 0.440) 2.333 8.986 ( -2.610 -5.878 -1.516) 6.608 9.145 ( 1.404 0.656 -2.182) 2.677 9.244 ( -0.081 -1.965 -0.296) 1.989 9.460 ( -4.165 0.830 -1.956) 4.676 9.472 ( -4.914 -1.589 -6.190) 8.061 9.579 ( 2.487 1.215 -2.295) 3.596 9.646 ( -1.822 -2.024 -2.296) 3.562 9.793 ( -0.096 0.039 -1.157) 1.162 9.800 ( 0.586 0.978 -1.750) 2.089 9.960 ( -1.575 0.777 -0.959) 2.001 10.009 ( -2.616 -1.219 -1.949) 3.483 10.250 ( 1.086 -1.805 6.706) 7.029 10.275 ( 0.643 -1.344 5.823) 6.011 10.389 ( -0.069 3.171 -0.505) 3.212 10.460 ( 1.754 0.191 -3.773) 4.166 10.486 ( 3.142 -0.198 -1.636) 3.548 10.551 ( 1.000 -4.284 -1.476) 4.641 10.890 ( 8.202 5.597 0.709) 9.955 11.033 ( 11.658 4.489 -2.175) 12.680 11.058 ( 2.372 6.394 2.072) 7.128 11.291 ( 7.758 -1.044 5.760) 9.719 11.353 ( -0.579 -3.591 2.544) 4.439 11.431 ( -2.595 7.469 -1.444) 8.038 11.542 ( 5.499 -7.195 -1.359) 9.157 11.659 ( -1.374 -3.191 -0.424) 3.500 11.988 ( 7.923 -1.432 -0.128) 8.053 12.141 ( 1.273 -4.517 1.336) 4.879 12.317 ( -6.286 1.465 -0.699) 6.493 12.384 ( -8.378 0.024 1.632) 8.535 12.445 ( -1.769 -1.771 -1.394) 2.865 12.493 ( 0.892 -3.270 -2.078) 3.976 12.652 ( -1.744 2.609 1.812) 3.624 12.741 ( -1.093 -1.693 -5.041) 5.429 13.108 ( 4.565 3.116 -3.238) 6.406 13.152 ( 1.290 -0.788 -4.890) 5.118 13.337 ( -0.634 4.419 2.481) 5.107 13.460 ( -1.948 0.310 1.663) 2.580 13.606 ( -0.390 4.232 7.175) 8.340 13.638 ( -1.564 3.346 2.890) 4.690 14.193 ( -1.166 9.997 -8.060) 12.895 14.284 ( -0.221 0.005 -2.972) 2.980 14.437 ( 0.765 3.891 -1.350) 4.189 14.707 ( -3.320 -5.446 -5.608) 8.494 14.732 ( 0.432 2.609 1.509) 3.045 14.911 ( -2.560 -3.557 0.298) 4.393 15.347 ( -0.829 0.768 -0.718) 1.339 15.391 ( -1.498 -1.879 0.475) 2.449 15.544 ( 1.591 2.246 3.678) 4.593 15.591 ( 2.225 0.593 5.224) 5.709 15.760 ( -4.668 -4.528 4.751) 8.054 15.825 ( -1.793 -6.978 1.738) 7.411 16.284 ( -1.867 0.803 0.201) 2.043 16.365 ( 1.548 -2.819 -4.499) 5.530 16.887 ( -0.703 3.497 0.380) 3.587 16.900 ( 0.427 2.346 -0.535) 2.444 17.634 ( -0.239 0.355 0.595) 0.733 17.668 ( 0.572 -1.100 -0.688) 1.417 20.920 ( -0.998 1.862 1.173) 2.416 20.988 ( 0.002 0.085 -0.376) 0.385 21.134 ( -2.469 -1.578 2.084) 3.596 21.230 ( -0.802 -4.498 -2.073) 5.018 21.999 ( -0.713 3.354 -0.485) 3.463 22.035 ( -0.024 5.472 0.619) 5.507 22.111 ( -0.093 3.423 -2.771) 4.405 22.143 ( 0.172 1.438 -2.886) 3.229 22.257 ( -1.118 -2.478 -0.443) 2.755 22.330 ( 0.214 -3.615 1.554) 3.941 22.673 ( -2.495 -0.792 3.774) 4.593 22.715 ( -2.180 -1.779 1.094) 3.019 22.879 ( 1.741 1.949 -7.094) 7.561 22.991 ( 2.946 -2.153 -5.070) 6.246 23.041 ( 2.757 -0.540 2.162) 3.545 23.054 ( 3.059 -1.077 2.944) 4.380 23.445 ( -3.678 -0.807 -0.498) 3.798 23.496 ( -4.236 -4.758 -2.252) 6.757 23.913 ( -0.623 -0.068 5.507) 5.543 23.973 ( -1.718 -1.723 1.632) 2.930 24.077 ( 1.693 1.157 -2.485) 3.221 24.159 ( 0.148 -0.509 -2.000) 2.069 24.195 ( 1.034 1.468 -0.114) 1.799 24.240 ( 1.106 0.998 -0.786) 1.684 24.562 ( -2.123 1.929 0.685) 2.949 24.618 ( -0.770 -0.469 3.014) 3.146 24.665 ( 1.535 3.478 -0.629) 3.853 24.692 ( -0.592 1.396 -0.927) 1.777 24.758 ( 0.252 0.607 1.598) 1.728 24.845 ( 2.587 -2.160 -3.554) 4.898 25.089 ( 1.082 3.041 7.779) 8.423 25.283 ( 3.486 -5.153 -2.050) 6.551 ======================= Grid point 109 (59/80) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -5.682 -11.939 1.640) 13.324 1.529 ( -5.682 11.939 1.640) 13.324 1.690 ( -9.663 -13.335 8.234) 18.412 1.690 ( -9.663 13.335 8.234) 18.412 1.946 ( 0.528 -9.729 -7.097) 12.054 1.946 ( 0.528 9.729 -7.097) 12.054 2.205 ( 3.213 -1.629 -7.926) 8.706 2.205 ( 3.213 1.629 -7.926) 8.706 2.305 ( 4.358 -1.818 1.452) 4.940 2.305 ( 4.358 1.818 1.452) 4.940 2.505 ( -1.796 -2.499 -0.038) 3.078 2.505 ( -1.796 2.499 -0.038) 3.078 2.597 ( 3.705 -2.975 -0.327) 4.762 2.597 ( 3.705 2.975 -0.327) 4.762 2.751 ( 3.345 -2.325 2.495) 4.776 2.751 ( 3.345 2.325 2.495) 4.776 2.841 ( 3.223 -7.310 -4.011) 8.940 2.841 ( 3.223 7.310 -4.011) 8.940 3.017 ( -2.915 -3.096 -5.033) 6.589 3.017 ( -2.915 3.096 -5.033) 6.589 3.121 ( -4.000 -4.073 -6.765) 8.852 3.121 ( -4.000 4.073 -6.765) 8.852 3.320 ( -6.085 -1.427 2.202) 6.627 3.320 ( -6.085 1.427 2.202) 6.627 3.385 ( -1.511 -5.591 5.039) 7.677 3.385 ( -1.511 5.591 5.039) 7.677 3.555 ( 2.397 -5.613 1.195) 6.220 3.555 ( 2.397 5.613 1.195) 6.220 3.682 ( 3.843 -4.229 6.895) 8.956 3.682 ( 3.843 4.229 6.895) 8.956 3.787 ( -0.558 -3.070 2.411) 3.943 3.787 ( -0.558 3.070 2.411) 3.943 3.959 ( -0.381 -3.455 -0.510) 3.513 3.959 ( -0.381 3.455 -0.510) 3.513 4.100 ( 2.101 -4.706 -0.525) 5.180 4.100 ( 2.101 4.706 -0.525) 5.180 4.151 ( 0.121 -3.135 -1.990) 3.715 4.151 ( 0.121 3.135 -1.990) 3.715 4.277 ( -0.587 -1.534 -4.531) 4.820 4.277 ( -0.587 1.534 -4.531) 4.820 4.419 ( -0.542 -2.398 1.232) 2.750 4.419 ( -0.542 2.398 1.232) 2.750 4.564 ( -0.269 -6.479 0.980) 6.559 4.564 ( -0.269 6.479 0.980) 6.559 4.693 ( -2.965 -2.765 -2.091) 4.562 4.693 ( -2.965 2.765 -2.091) 4.562 4.777 ( 0.911 -4.857 1.141) 5.072 4.777 ( 0.911 4.857 1.141) 5.072 4.852 ( 2.006 -5.093 5.217) 7.562 4.852 ( 2.006 5.093 5.217) 7.562 4.991 ( -9.022 -3.894 -1.743) 9.980 4.991 ( -9.022 3.894 -1.743) 9.980 5.136 ( 2.402 -5.177 -0.770) 5.759 5.136 ( 2.402 5.177 -0.770) 5.759 5.174 ( -0.907 -3.731 -1.066) 3.985 5.174 ( -0.907 3.731 -1.066) 3.985 5.426 ( -2.050 -2.908 1.552) 3.882 5.426 ( -2.050 2.908 1.552) 3.882 5.788 ( 3.047 -13.195 3.479) 13.982 5.788 ( 3.047 13.195 3.479) 13.982 6.084 ( 2.812 -4.454 5.239) 7.429 6.084 ( 2.812 4.454 5.239) 7.429 6.212 ( 1.805 -2.669 -1.060) 3.391 6.212 ( 1.805 2.669 -1.060) 3.391 6.341 ( -1.775 -3.197 1.068) 3.809 6.341 ( -1.775 3.197 1.068) 3.809 6.507 ( 4.191 -2.453 -3.117) 5.770 6.507 ( 4.191 2.453 -3.117) 5.770 6.632 ( 1.317 -5.513 3.467) 6.645 6.632 ( 1.317 5.513 3.467) 6.645 6.997 ( 5.440 -4.078 -2.007) 7.089 6.997 ( 5.440 4.078 -2.007) 7.089 7.110 ( -2.140 -4.782 -2.096) 5.643 7.110 ( -2.140 4.782 -2.096) 5.643 7.306 ( -0.986 -2.162 -2.659) 3.566 7.306 ( -0.986 2.162 -2.659) 3.566 7.513 ( -3.920 -2.203 -1.443) 4.723 7.513 ( -3.920 2.203 -1.443) 4.723 7.624 ( 2.910 -2.399 -2.087) 4.310 7.624 ( 2.910 2.399 -2.087) 4.310 7.996 ( -0.066 -2.982 0.179) 2.989 7.996 ( -0.066 2.982 0.179) 2.989 8.135 ( 0.741 -3.609 2.096) 4.239 8.135 ( 0.741 3.609 2.096) 4.239 8.353 ( 0.423 -1.797 2.887) 3.427 8.353 ( 0.423 1.797 2.887) 3.427 8.455 ( 0.848 -3.789 -2.285) 4.506 8.455 ( 0.848 3.789 -2.285) 4.506 8.818 ( -1.430 -5.289 4.828) 7.302 8.818 ( -1.430 5.289 4.828) 7.302 8.859 ( 0.093 -4.418 3.629) 5.718 8.859 ( 0.093 4.418 3.629) 5.718 9.185 ( 0.319 -2.561 -1.482) 2.976 9.185 ( 0.319 2.561 -1.482) 2.976 9.335 ( -3.784 -1.562 -5.431) 6.801 9.335 ( -3.784 1.562 -5.431) 6.801 9.586 ( 0.608 -0.227 -2.461) 2.545 9.586 ( 0.608 0.227 -2.461) 2.545 9.795 ( -0.565 -1.165 -0.321) 1.334 9.795 ( -0.565 1.165 -0.321) 1.334 9.956 ( -0.063 -0.446 -0.577) 0.732 9.956 ( -0.063 0.446 -0.577) 0.732 10.293 ( -1.859 -0.758 5.449) 5.807 10.293 ( -1.859 0.758 5.449) 5.807 10.428 ( -0.449 -2.115 -1.305) 2.525 10.428 ( -0.449 2.115 -1.305) 2.525 10.524 ( 4.244 -1.166 -3.131) 5.402 10.524 ( 4.244 1.166 -3.131) 5.402 11.092 ( -1.805 -4.599 0.983) 5.037 11.092 ( -1.805 4.599 0.983) 5.037 11.288 ( -0.613 -4.332 3.916) 5.872 11.288 ( -0.613 4.332 3.916) 5.872 11.414 ( 2.433 -4.157 1.318) 4.994 11.414 ( 2.433 4.157 1.318) 4.994 11.584 ( 2.724 -5.312 -4.657) 7.571 11.584 ( 2.724 5.312 -4.657) 7.571 12.116 ( 1.105 -3.062 5.581) 6.461 12.116 ( 1.105 3.062 5.581) 6.461 12.199 ( -7.583 -3.096 -1.663) 8.358 12.199 ( -7.583 3.096 -1.663) 8.358 12.457 ( 3.919 -0.595 -4.649) 6.109 12.457 ( 3.919 0.595 -4.649) 6.109 12.695 ( 0.461 -1.492 0.777) 1.744 12.695 ( 0.461 1.492 0.777) 1.744 13.112 ( -0.012 -0.933 -4.250) 4.351 13.112 ( -0.012 0.933 -4.250) 4.351 13.428 ( -0.501 -1.555 1.963) 2.555 13.428 ( -0.501 1.555 1.963) 2.555 13.781 ( 5.287 -1.782 8.533) 10.195 13.781 ( 5.287 1.782 8.533) 10.195 14.140 ( -5.257 -2.641 -9.377) 11.069 14.140 ( -5.257 2.641 -9.377) 11.069 14.562 ( 0.638 -2.774 -1.133) 3.063 14.562 ( 0.638 2.774 -1.133) 3.063 14.812 ( 0.500 -1.929 0.212) 2.004 14.812 ( 0.500 1.929 0.212) 2.004 15.354 ( 0.387 -0.341 -0.221) 0.561 15.354 ( 0.387 0.341 -0.221) 0.561 15.653 ( 0.865 -0.918 2.752) 3.027 15.653 ( 0.865 0.918 2.752) 3.027 15.724 ( -2.023 -1.818 4.568) 5.316 15.724 ( -2.023 1.818 4.568) 5.316 16.295 ( 0.309 -2.604 -2.240) 3.449 16.295 ( 0.309 2.604 -2.240) 3.449 16.921 ( -0.139 -0.579 -0.037) 0.596 16.921 ( -0.139 0.579 -0.037) 0.596 17.647 ( 0.011 -0.866 -0.131) 0.876 17.647 ( 0.011 0.866 -0.131) 0.876 20.976 ( 0.721 -1.887 1.189) 2.344 20.976 ( 0.721 1.887 1.189) 2.344 21.133 ( -0.355 -2.664 -0.384) 2.715 21.133 ( -0.355 2.664 -0.384) 2.715 22.044 ( -1.122 -2.301 0.119) 2.563 22.044 ( -1.122 2.301 0.119) 2.563 22.136 ( 0.457 -0.686 -3.297) 3.399 22.136 ( 0.457 0.686 -3.297) 3.399 22.270 ( 0.238 -3.898 2.056) 4.414 22.270 ( 0.238 3.898 2.056) 4.414 22.658 ( -1.898 -1.164 1.573) 2.726 22.658 ( -1.898 1.164 1.573) 2.726 22.888 ( 1.844 -2.794 -7.146) 7.892 22.888 ( 1.844 2.794 -7.146) 7.892 23.133 ( 3.466 -0.515 4.592) 5.776 23.133 ( 3.466 0.515 4.592) 5.776 23.342 ( -5.136 -0.809 -2.110) 5.611 23.342 ( -5.136 0.809 -2.110) 5.611 23.938 ( -2.923 -0.540 4.452) 5.353 23.938 ( -2.923 0.540 4.452) 5.353 24.110 ( 1.978 -1.324 -3.326) 4.090 24.110 ( 1.978 1.324 -3.326) 4.090 24.253 ( 0.963 -0.773 -0.305) 1.272 24.253 ( 0.963 0.773 -0.305) 1.272 24.610 ( -0.829 -2.154 2.711) 3.561 24.610 ( -0.829 2.154 2.711) 3.561 24.704 ( 0.382 -0.752 -1.359) 1.599 24.704 ( 0.382 0.752 -1.359) 1.599 24.821 ( 2.069 -1.861 -1.622) 3.221 24.821 ( 2.069 1.861 -1.622) 3.221 25.202 ( -0.740 -3.667 2.164) 4.322 25.202 ( -0.740 3.667 2.164) 4.322 ======================= Grid point 111 (60/80) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -3.406 -7.748 7.317) 11.188 1.492 ( -3.406 7.748 7.317) 11.188 1.662 ( -3.746 -4.403 5.891) 8.254 1.662 ( -3.746 4.403 5.891) 8.254 1.958 ( 7.621 -10.355 -1.050) 12.900 1.958 ( 7.621 10.355 -1.050) 12.900 2.182 ( 2.501 -3.913 -4.963) 6.797 2.182 ( 2.501 3.913 -4.963) 6.797 2.297 ( -4.605 -6.532 0.156) 7.994 2.297 ( -4.605 6.532 0.156) 7.994 2.513 ( 1.610 -6.736 -1.560) 7.099 2.513 ( 1.610 6.736 -1.560) 7.099 2.634 ( -2.451 -4.622 -3.847) 6.494 2.634 ( -2.451 4.622 -3.847) 6.494 2.781 ( 6.548 -4.718 -4.661) 9.320 2.781 ( 6.548 4.718 -4.661) 9.320 2.851 ( 0.288 -1.956 2.503) 3.190 2.851 ( 0.288 1.956 2.503) 3.190 2.979 ( -3.452 -2.039 -5.004) 6.412 2.979 ( -3.452 2.039 -5.004) 6.412 3.082 ( 10.268 -1.151 2.689) 10.677 3.082 ( 10.268 1.151 2.689) 10.677 3.271 ( -3.653 -2.066 4.847) 6.411 3.271 ( -3.653 2.066 4.847) 6.411 3.468 ( 3.532 -3.676 3.023) 5.927 3.468 ( 3.532 3.676 3.023) 5.927 3.557 ( -0.747 -2.818 -0.411) 2.944 3.557 ( -0.747 2.818 -0.411) 2.944 3.796 ( -0.616 -3.617 0.067) 3.670 3.796 ( -0.616 3.617 0.067) 3.670 3.845 ( 6.532 -3.713 2.919) 8.061 3.845 ( 6.532 3.713 2.919) 8.061 3.954 ( 0.701 -2.934 0.095) 3.018 3.954 ( 0.701 2.934 0.095) 3.018 3.995 ( -6.671 -2.259 -3.422) 7.830 3.995 ( -6.671 2.259 -3.422) 7.830 4.190 ( 3.300 -3.217 -1.514) 4.851 4.190 ( 3.300 3.217 -1.514) 4.851 4.271 ( 3.218 -1.235 0.532) 3.488 4.271 ( 3.218 1.235 0.532) 3.488 4.483 ( 1.497 -1.171 0.697) 2.024 4.483 ( 1.497 1.171 0.697) 2.024 4.544 ( -2.941 -5.988 -0.053) 6.672 4.544 ( -2.941 5.988 -0.053) 6.672 4.636 ( 0.631 -1.147 1.114) 1.719 4.636 ( 0.631 1.147 1.114) 1.719 4.755 ( -4.789 -2.804 0.546) 5.576 4.755 ( -4.789 2.804 0.546) 5.576 4.893 ( -0.268 -5.062 1.915) 5.419 4.893 ( -0.268 5.062 1.915) 5.419 4.971 ( 2.701 -3.909 5.276) 7.100 4.971 ( 2.701 3.909 5.276) 7.100 5.130 ( 1.351 -1.937 -2.886) 3.729 5.130 ( 1.351 1.937 -2.886) 3.729 5.212 ( 3.483 -3.030 0.953) 4.714 5.212 ( 3.483 3.030 0.953) 4.714 5.401 ( -2.315 -2.000 1.685) 3.493 5.401 ( -2.315 2.000 1.685) 3.493 5.875 ( 3.624 -9.696 0.693) 10.375 5.875 ( 3.624 9.696 0.693) 10.375 6.096 ( -5.914 -5.893 0.624) 8.372 6.096 ( -5.914 5.893 0.624) 8.372 6.163 ( -3.616 -4.888 -3.524) 7.028 6.163 ( -3.616 4.888 -3.524) 7.028 6.319 ( -3.385 -4.202 0.428) 5.413 6.319 ( -3.385 4.202 0.428) 5.413 6.427 ( -5.062 -2.086 -2.514) 6.025 6.427 ( -5.062 2.086 -2.514) 6.025 6.699 ( 3.117 -5.607 -0.547) 6.439 6.699 ( 3.117 5.607 -0.547) 6.439 6.916 ( -7.615 -3.809 -5.454) 10.112 6.916 ( -7.615 3.809 -5.454) 10.112 7.166 ( 5.197 -4.318 1.188) 6.860 7.166 ( 5.197 4.318 1.188) 6.860 7.271 ( 1.635 -2.063 -1.513) 3.036 7.271 ( 1.635 2.063 -1.513) 3.036 7.486 ( 1.753 -2.623 -0.730) 3.238 7.486 ( 1.753 2.623 -0.730) 3.238 7.708 ( 6.243 -2.352 0.252) 6.676 7.708 ( 6.243 2.352 0.252) 6.676 7.984 ( -0.964 -6.832 -0.040) 6.900 7.984 ( -0.964 6.832 -0.040) 6.900 8.142 ( -1.457 -5.149 -0.093) 5.352 8.142 ( -1.457 5.149 -0.093) 5.352 8.380 ( -0.129 -1.531 2.262) 2.735 8.380 ( -0.129 1.531 2.262) 2.735 8.464 ( 3.025 -3.109 -2.626) 5.071 8.464 ( 3.025 3.109 -2.626) 5.071 8.836 ( 0.137 -0.931 2.164) 2.360 8.836 ( 0.137 0.931 2.164) 2.360 8.926 ( 1.621 -1.649 3.447) 4.151 8.926 ( 1.621 1.649 3.447) 4.151 9.161 ( -2.634 -1.206 -2.263) 3.676 9.161 ( -2.634 1.206 -2.263) 3.676 9.286 ( 3.033 -2.455 1.650) 4.237 9.286 ( 3.033 2.455 1.650) 4.237 9.577 ( 0.888 -1.235 -1.708) 2.288 9.577 ( 0.888 1.235 -1.708) 2.288 9.793 ( 0.114 -1.938 0.769) 2.088 9.793 ( 0.114 1.938 0.769) 2.088 9.964 ( 1.633 -0.493 -0.461) 1.767 9.964 ( 1.633 0.493 -0.461) 1.767 10.309 ( -1.901 -0.374 3.706) 4.182 10.309 ( -1.901 0.374 3.706) 4.182 10.387 ( -2.857 -0.196 -0.914) 3.006 10.387 ( -2.857 0.196 -0.914) 3.006 10.556 ( 3.559 -3.738 -4.023) 6.544 10.556 ( 3.559 3.738 -4.023) 6.544 11.003 ( -8.757 -3.212 1.171) 9.400 11.003 ( -8.757 3.212 1.171) 9.400 11.229 ( -7.381 -3.433 0.329) 8.147 11.229 ( -7.381 3.433 0.329) 8.147 11.463 ( 0.516 -1.821 0.858) 2.078 11.463 ( 0.516 1.821 0.858) 2.078 11.591 ( 2.290 -1.741 -3.809) 4.773 11.591 ( 2.290 1.741 -3.809) 4.773 12.030 ( -4.493 -5.166 -0.038) 6.847 12.030 ( -4.493 5.166 -0.038) 6.847 12.241 ( 1.065 -2.787 5.659) 6.398 12.241 ( 1.065 2.787 5.659) 6.398 12.489 ( 3.900 -0.747 -2.870) 4.899 12.489 ( 3.900 0.747 -2.870) 4.899 12.704 ( 0.787 -3.097 -1.317) 3.456 12.704 ( 0.787 3.097 -1.317) 3.456 13.078 ( 0.839 -1.310 -2.155) 2.658 13.078 ( 0.839 1.310 -2.155) 2.658 13.462 ( 1.592 -1.645 1.324) 2.645 13.462 ( 1.592 1.645 1.324) 2.645 13.920 ( -1.731 -4.040 -1.682) 4.706 13.920 ( -1.731 4.040 -1.682) 4.706 14.027 ( 5.552 -2.170 1.283) 6.098 14.027 ( 5.552 2.170 1.283) 6.098 14.528 ( -3.087 -3.312 -1.006) 4.638 14.528 ( -3.087 3.312 -1.006) 4.638 14.830 ( 1.404 -3.492 -0.134) 3.767 14.830 ( 1.404 3.492 -0.134) 3.767 15.381 ( 2.755 -0.692 -0.807) 2.953 15.381 ( 2.755 0.692 -0.807) 2.953 15.675 ( 0.021 -1.972 0.928) 2.180 15.675 ( 0.021 1.972 0.928) 2.180 15.736 ( -2.209 -1.161 3.640) 4.413 15.736 ( -2.209 1.161 3.640) 4.413 16.283 ( 0.672 -3.395 -1.401) 3.734 16.283 ( 0.672 3.395 -1.401) 3.734 16.920 ( 0.025 -1.149 0.105) 1.154 16.920 ( 0.025 1.149 0.105) 1.154 17.645 ( -0.113 -0.700 -0.064) 0.712 17.645 ( -0.113 0.700 -0.064) 0.712 21.002 ( 1.215 -0.959 -0.039) 1.548 21.002 ( 1.215 0.959 -0.039) 1.548 21.136 ( 1.008 -2.609 0.032) 2.797 21.136 ( 1.008 2.609 0.032) 2.797 22.037 ( -0.721 -1.875 1.351) 2.421 22.037 ( -0.721 1.875 1.351) 2.421 22.121 ( 1.229 -0.782 -2.182) 2.623 22.121 ( 1.229 0.782 -2.182) 2.623 22.285 ( -0.236 -1.751 0.791) 1.935 22.285 ( -0.236 1.751 0.791) 1.935 22.655 ( -0.481 -2.536 2.118) 3.339 22.655 ( -0.481 2.536 2.118) 3.339 22.860 ( 2.076 -1.617 -4.557) 5.262 22.860 ( 2.076 1.617 -4.557) 5.262 23.183 ( -2.391 -2.221 -2.533) 4.131 23.183 ( -2.391 2.221 -2.533) 4.131 23.298 ( 1.408 -1.411 5.489) 5.840 23.298 ( 1.408 1.411 5.489) 5.840 23.922 ( -3.769 -1.479 3.769) 5.531 23.922 ( -3.769 1.479 3.769) 5.531 24.116 ( 2.411 -0.911 -2.767) 3.782 24.116 ( 2.411 0.911 -2.767) 3.782 24.257 ( 0.267 -1.301 -1.043) 1.689 24.257 ( 0.267 1.301 -1.043) 1.689 24.626 ( -0.769 -2.107 2.869) 3.641 24.626 ( -0.769 2.107 2.869) 3.641 24.699 ( 1.051 -1.428 -2.039) 2.702 24.699 ( 1.051 1.428 -2.039) 2.702 24.817 ( 0.030 -2.469 -2.552) 3.551 24.817 ( 0.030 2.469 -2.552) 3.551 25.192 ( -2.692 -2.680 1.801) 4.204 25.192 ( -2.692 2.680 1.801) 4.204 ======================= Grid point 113 (61/80) ======================= q-point: ( 0.33 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.995 -2.504 7.081) 7.576 1.556 ( 0.995 2.504 7.081) 7.576 1.654 ( -2.990 -8.138 5.919) 10.498 1.654 ( -2.990 8.138 5.919) 10.498 2.111 ( 4.013 -5.847 2.143) 7.408 2.111 ( 4.013 5.847 2.143) 7.408 2.175 ( -2.235 -8.602 2.620) 9.266 2.175 ( -2.235 8.602 2.620) 9.266 2.298 ( 6.864 -9.004 -0.525) 11.334 2.298 ( 6.864 9.004 -0.525) 11.334 2.403 ( -3.310 -10.602 -9.902) 14.880 2.403 ( -3.310 10.602 -9.902) 14.880 2.614 ( 1.102 -0.971 3.583) 3.872 2.614 ( 1.102 0.971 3.583) 3.872 2.805 ( -3.258 -3.027 -2.391) 5.049 2.805 ( -3.258 3.027 -2.391) 5.049 2.900 ( 8.410 -5.005 -2.970) 10.227 2.900 ( 8.410 5.005 -2.970) 10.227 2.975 ( 2.786 -5.110 3.728) 6.912 2.975 ( 2.786 5.110 3.728) 6.912 3.249 ( 1.405 -1.769 3.603) 4.252 3.249 ( 1.405 1.769 3.603) 4.252 3.346 ( 6.677 -2.555 4.829) 8.627 3.346 ( 6.677 2.555 4.829) 8.627 3.470 ( -1.830 -2.150 -1.827) 3.363 3.470 ( -1.830 2.150 -1.827) 3.363 3.605 ( 2.704 -2.590 1.855) 4.178 3.605 ( 2.704 2.590 1.855) 4.178 3.751 ( -2.027 -4.509 -5.676) 7.527 3.751 ( -2.027 4.509 -5.676) 7.527 3.822 ( -6.275 -4.320 0.866) 7.667 3.822 ( -6.275 4.320 0.866) 7.667 3.905 ( -0.073 -1.081 -1.243) 1.649 3.905 ( -0.073 1.081 -1.243) 1.649 4.038 ( 6.875 -3.039 -0.998) 7.583 4.038 ( 6.875 3.039 -0.998) 7.583 4.260 ( 4.173 -1.802 1.889) 4.922 4.260 ( 4.173 1.802 1.890) 4.922 4.349 ( 0.483 -2.259 3.021) 3.803 4.349 ( 0.483 2.259 3.021) 3.803 4.400 ( -5.327 -5.327 0.825) 7.579 4.400 ( -5.327 5.327 0.825) 7.579 4.585 ( 2.581 -3.040 1.422) 4.234 4.585 ( 2.581 3.040 1.422) 4.234 4.608 ( -3.797 -2.295 -0.609) 4.479 4.608 ( -3.797 2.295 -0.609) 4.479 4.779 ( 4.535 -7.464 2.573) 9.105 4.779 ( 4.535 7.464 2.573) 9.105 4.917 ( 0.545 -4.953 0.131) 4.984 4.917 ( 0.545 4.953 0.131) 4.984 5.004 ( -1.879 -3.796 2.190) 4.768 5.004 ( -1.879 3.796 2.190) 4.768 5.151 ( 1.274 -4.466 -0.663) 4.691 5.151 ( 1.274 4.466 -0.663) 4.691 5.289 ( 2.041 -3.733 3.165) 5.302 5.289 ( 2.041 3.733 3.165) 5.302 5.403 ( 0.263 -4.835 3.163) 5.784 5.403 ( 0.263 4.835 3.163) 5.784 5.884 ( -3.507 -6.332 -5.195) 8.910 5.884 ( -3.507 6.332 -5.195) 8.910 5.920 ( -4.985 -0.773 -3.566) 6.178 5.920 ( -4.985 0.773 -3.566) 6.178 6.060 ( -7.712 -2.470 -4.076) 9.066 6.060 ( -7.712 2.470 -4.076) 9.066 6.219 ( -1.599 -4.224 -2.456) 5.141 6.219 ( -1.599 4.224 -2.456) 5.141 6.371 ( -1.164 -6.630 -1.391) 6.874 6.371 ( -1.164 6.630 -1.391) 6.874 6.650 ( -4.100 -1.334 -6.065) 7.442 6.650 ( -4.100 1.334 -6.065) 7.442 6.826 ( 0.945 -3.511 0.696) 3.702 6.826 ( 0.945 3.511 0.696) 3.702 7.229 ( 1.150 -2.405 2.573) 3.705 7.229 ( 1.150 2.405 2.573) 3.705 7.326 ( 5.329 -3.503 -2.067) 6.704 7.326 ( 5.329 3.503 -2.067) 6.704 7.518 ( 1.732 -3.031 -0.771) 3.575 7.518 ( 1.732 3.031 -0.771) 3.575 7.794 ( 2.389 -5.121 -0.558) 5.679 7.794 ( 2.389 5.121 -0.558) 5.679 7.957 ( -0.498 -7.816 -1.336) 7.945 7.957 ( -0.498 7.816 -1.336) 7.945 8.120 ( -1.132 -4.444 1.915) 4.969 8.120 ( -1.132 4.444 1.915) 4.969 8.399 ( 0.115 -0.871 0.186) 0.898 8.399 ( 0.115 0.871 0.186) 0.898 8.500 ( 3.954 -2.351 -1.189) 4.752 8.500 ( 3.954 2.351 -1.189) 4.752 8.856 ( -0.285 -1.119 -1.310) 1.746 8.856 ( -0.285 1.119 -1.310) 1.746 8.954 ( -0.432 -1.880 1.350) 2.355 8.954 ( -0.432 1.880 1.350) 2.355 9.109 ( -1.681 -1.216 1.842) 2.774 9.109 ( -1.681 1.216 1.842) 2.774 9.407 ( 4.136 -2.363 5.525) 7.295 9.407 ( 4.136 2.363 5.525) 7.295 9.589 ( 2.887 -1.679 -1.295) 3.582 9.589 ( 2.887 1.679 -1.295) 3.582 9.802 ( -0.977 -2.404 1.466) 2.980 9.802 ( -0.977 2.404 1.466) 2.980 10.003 ( 3.447 -1.443 -0.772) 3.816 10.003 ( 3.447 1.443 -0.772) 3.816 10.256 ( -5.801 -1.883 -1.357) 6.248 10.256 ( -5.801 1.883 -1.357) 6.248 10.368 ( 0.001 -1.529 3.078) 3.437 10.368 ( 0.001 1.529 3.078) 3.437 10.564 ( 2.023 -4.465 -3.434) 5.985 10.564 ( 2.023 4.465 -3.434) 5.985 10.867 ( -6.545 -1.828 -0.030) 6.795 10.867 ( -6.545 1.828 -0.030) 6.795 11.078 ( -7.877 -2.986 -2.320) 8.738 11.078 ( -7.877 2.986 -2.320) 8.738 11.451 ( -1.408 -3.083 -0.828) 3.489 11.451 ( -1.408 3.083 -0.828) 3.489 11.576 ( 0.200 -1.985 -2.137) 2.924 11.576 ( 0.200 1.985 -2.137) 2.924 12.019 ( 1.851 -8.690 -0.049) 8.885 12.019 ( 1.851 8.690 -0.049) 8.885 12.281 ( -2.279 -6.341 3.710) 7.691 12.281 ( -2.279 6.341 3.710) 7.691 12.514 ( -0.578 -1.460 2.843) 3.248 12.514 ( -0.578 1.460 2.843) 3.248 12.720 ( 3.978 -1.986 -2.465) 5.084 12.720 ( 3.978 1.986 -2.465) 5.084 13.094 ( 2.893 -2.220 -2.290) 4.306 13.094 ( 2.893 2.220 -2.290) 4.306 13.470 ( -1.756 -3.676 -0.606) 4.118 13.470 ( -1.756 3.676 -0.606) 4.118 13.838 ( 0.437 -1.979 -5.693) 6.043 13.838 ( 0.437 1.979 -5.693) 6.043 14.185 ( 3.485 -2.566 4.974) 6.593 14.185 ( 3.485 2.566 4.974) 6.593 14.484 ( -0.480 -5.800 1.982) 6.148 14.484 ( -0.480 5.800 1.982) 6.148 14.858 ( 1.772 -5.123 0.511) 5.445 14.858 ( 1.772 5.123 0.511) 5.445 15.405 ( 1.193 -0.978 -2.120) 2.622 15.405 ( 1.193 0.978 -2.120) 2.622 15.653 ( -1.761 -1.709 -2.965) 3.848 15.653 ( -1.761 1.709 -2.965) 3.848 15.741 ( -1.447 -0.880 4.289) 4.611 15.741 ( -1.447 0.880 4.289) 4.611 16.291 ( 1.120 -3.648 -0.218) 3.823 16.291 ( 1.120 3.648 -0.218) 3.823 16.923 ( 0.090 -1.461 0.198) 1.477 16.923 ( 0.090 1.461 0.198) 1.477 17.643 ( -0.085 -0.599 0.010) 0.605 17.643 ( -0.085 0.599 0.010) 0.605 21.012 ( 0.600 -0.590 -1.040) 1.338 21.012 ( 0.600 0.590 -1.040) 1.338 21.159 ( 1.178 -2.811 0.089) 3.049 21.159 ( 1.178 2.811 0.089) 3.049 22.046 ( -0.217 -2.124 2.048) 2.958 22.046 ( -0.217 2.124 2.048) 2.958 22.134 ( 1.839 -0.293 -0.569) 1.947 22.134 ( 1.839 0.293 -0.569) 1.947 22.277 ( -0.798 -3.182 -0.589) 3.333 22.277 ( -0.798 3.182 -0.589) 3.333 22.683 ( -0.347 -4.529 4.053) 6.088 22.683 ( -0.347 4.529 4.053) 6.088 22.867 ( 3.441 -1.380 -3.180) 4.885 22.867 ( 3.441 1.380 -3.180) 4.885 23.091 ( -2.981 -2.085 -3.840) 5.290 23.091 ( -2.981 2.085 -3.840) 5.290 23.408 ( 2.391 -1.494 6.425) 7.017 23.408 ( 2.391 1.494 6.425) 7.017 23.894 ( -3.858 -2.539 3.983) 6.099 23.894 ( -3.858 2.539 3.983) 6.099 24.130 ( 2.288 -2.357 -2.657) 4.225 24.130 ( 2.288 2.357 -2.657) 4.225 24.244 ( -0.079 -1.942 -1.478) 2.441 24.244 ( -0.079 1.942 -1.478) 2.441 24.637 ( -1.403 -1.992 2.381) 3.407 24.637 ( -1.403 1.992 2.381) 3.407 24.697 ( 1.415 -1.290 -2.595) 3.225 24.697 ( 1.415 1.290 -2.595) 3.225 24.782 ( -0.410 -4.336 -2.684) 5.116 24.782 ( -0.410 4.336 -2.684) 5.116 25.156 ( -2.890 -2.811 1.216) 4.211 25.156 ( -2.890 2.811 1.216) 4.211 ======================= Grid point 115 (62/80) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -3.965 -6.033 9.367) 11.826 1.605 ( -3.965 6.033 9.367) 11.826 1.753 ( 5.955 -4.696 4.435) 8.785 1.753 ( 5.955 4.696 4.435) 8.785 2.076 ( -5.012 -2.818 2.938) 6.457 2.076 ( -5.012 2.818 2.937) 6.457 2.176 ( -1.984 -6.374 -2.996) 7.317 2.176 ( -1.984 6.374 -2.996) 7.318 2.329 ( 4.186 -4.872 -6.344) 9.028 2.329 ( 4.186 4.872 -6.344) 9.028 2.373 ( 3.179 -7.457 -3.604) 8.871 2.373 ( 3.179 7.457 -3.604) 8.871 2.696 ( -0.018 -3.630 5.620) 6.690 2.696 ( -0.018 3.630 5.620) 6.690 2.774 ( 0.854 -2.501 1.079) 2.855 2.774 ( 0.854 2.501 1.079) 2.855 2.981 ( 4.833 -4.788 -3.369) 7.591 2.981 ( 4.833 4.788 -3.369) 7.591 3.096 ( 4.471 -7.229 5.776) 10.277 3.096 ( 4.471 7.229 5.776) 10.277 3.270 ( -3.483 -2.631 0.714) 4.423 3.270 ( -3.483 2.631 0.714) 4.423 3.335 ( -2.184 -2.520 -2.101) 3.941 3.335 ( -2.184 2.520 -2.101) 3.941 3.480 ( -4.307 -2.577 0.721) 5.070 3.480 ( -4.307 2.577 0.721) 5.070 3.612 ( -1.320 -1.898 4.869) 5.390 3.612 ( -1.320 1.898 4.869) 5.390 3.680 ( 0.671 -2.357 -3.390) 4.183 3.680 ( 0.671 2.357 -3.390) 4.183 3.795 ( -0.659 -2.205 -1.227) 2.608 3.795 ( -0.659 2.205 -1.227) 2.608 3.929 ( 1.979 -1.132 3.140) 3.880 3.929 ( 1.979 1.132 3.140) 3.880 4.107 ( 1.991 -1.782 -2.247) 3.491 4.107 ( 1.991 1.782 -2.247) 3.491 4.277 ( -5.112 -4.281 0.696) 6.704 4.277 ( -5.112 4.281 0.696) 6.704 4.321 ( -1.298 -2.695 0.696) 3.071 4.321 ( -1.298 2.695 0.696) 3.071 4.412 ( 1.450 -7.032 2.352) 7.556 4.412 ( 1.450 7.032 2.352) 7.556 4.543 ( 0.275 -1.807 -1.187) 2.180 4.543 ( 0.275 1.807 -1.187) 2.180 4.660 ( 3.980 -3.748 2.525) 6.022 4.660 ( 3.980 3.748 2.525) 6.022 4.848 ( -1.535 -3.540 -1.734) 4.230 4.848 ( -1.535 3.540 -1.734) 4.230 4.930 ( -0.089 -5.520 3.300) 6.432 4.930 ( -0.089 5.520 3.300) 6.432 4.990 ( -1.567 -3.373 2.052) 4.248 4.990 ( -1.567 3.373 2.052) 4.248 5.164 ( 1.293 -1.485 1.913) 2.746 5.164 ( 1.293 1.485 1.913) 2.746 5.300 ( -2.007 -6.521 -1.381) 6.961 5.300 ( -2.007 6.521 -1.381) 6.961 5.460 ( -1.389 -4.876 7.485) 9.041 5.460 ( -1.389 4.876 7.485) 9.041 5.743 ( -4.869 -5.843 -2.465) 7.995 5.743 ( -4.869 5.843 -2.465) 7.995 5.844 ( 1.373 -9.027 -8.949) 12.785 5.844 ( 1.373 9.027 -8.949) 12.785 5.907 ( 0.138 -5.258 -5.673) 7.736 5.907 ( 0.138 5.258 -5.673) 7.736 6.205 ( 1.319 -6.026 -2.917) 6.824 6.205 ( 1.319 6.026 -2.917) 6.824 6.356 ( 1.025 -2.923 -0.982) 3.249 6.356 ( 1.025 2.923 -0.982) 3.249 6.554 ( -1.927 -1.056 -1.620) 2.730 6.554 ( -1.927 1.056 -1.620) 2.730 6.860 ( 2.984 -5.535 -1.138) 6.390 6.860 ( 2.984 5.535 -1.138) 6.390 7.283 ( 1.410 -1.444 0.608) 2.108 7.283 ( 1.410 1.444 0.608) 2.108 7.368 ( 0.931 -5.207 0.449) 5.308 7.368 ( 0.931 5.207 0.449) 5.308 7.531 ( 1.458 -3.558 0.233) 3.852 7.531 ( 1.458 3.558 0.233) 3.852 7.732 ( -2.922 -7.186 -6.760) 10.289 7.732 ( -2.922 7.186 -6.760) 10.289 8.012 ( 3.317 -4.183 4.061) 6.708 8.012 ( 3.317 4.183 4.061) 6.708 8.130 ( -0.331 -1.781 1.744) 2.515 8.130 ( -0.331 1.781 1.744) 2.515 8.359 ( -3.114 -2.018 -3.123) 4.851 8.359 ( -3.114 2.018 -3.123) 4.851 8.574 ( 3.143 -2.332 1.497) 4.190 8.574 ( 3.143 2.332 1.497) 4.190 8.781 ( -3.754 -2.086 -2.760) 5.105 8.781 ( -3.754 2.086 -2.760) 5.105 8.957 ( -2.568 -4.471 2.558) 5.756 8.957 ( -2.568 4.471 2.558) 5.756 9.135 ( 1.017 -3.415 2.734) 4.491 9.135 ( 1.017 3.415 2.734) 4.491 9.489 ( 0.985 -0.639 2.938) 3.164 9.489 ( 0.985 0.639 2.938) 3.164 9.661 ( 4.154 -0.519 0.953) 4.294 9.661 ( 4.154 0.519 0.953) 4.294 9.782 ( -2.053 -2.412 0.310) 3.182 9.782 ( -2.053 2.412 0.310) 3.182 10.054 ( 2.649 -1.296 0.139) 2.952 10.054 ( 2.649 1.296 0.139) 2.952 10.139 ( -4.137 -1.261 -2.914) 5.215 10.139 ( -4.137 1.261 -2.914) 5.215 10.418 ( 0.365 -2.788 4.263) 5.106 10.418 ( 0.365 2.788 4.263) 5.106 10.558 ( 1.537 -4.275 -2.755) 5.313 10.558 ( 1.537 4.275 -2.755) 5.313 10.795 ( -1.699 -1.474 -1.000) 2.462 10.795 ( -1.699 1.474 -1.000) 2.462 10.977 ( 1.486 -4.233 -3.240) 5.534 10.977 ( 1.486 4.233 -3.240) 5.534 11.413 ( -1.738 -2.757 -0.621) 3.317 11.413 ( -1.738 2.757 -0.621) 3.317 11.566 ( 1.051 -1.196 -1.821) 2.419 11.566 ( 1.051 1.196 -1.821) 2.419 12.044 ( -0.412 -4.058 0.585) 4.121 12.044 ( -0.412 4.058 0.585) 4.121 12.269 ( -0.213 -4.323 1.313) 4.523 12.269 ( -0.213 4.323 1.313) 4.523 12.536 ( -2.568 -1.133 5.447) 6.128 12.536 ( -2.568 1.133 5.447) 6.128 12.771 ( 4.042 -0.092 -2.846) 4.944 12.771 ( 4.042 0.092 -2.846) 4.944 13.113 ( 2.714 -1.629 -3.091) 4.424 13.113 ( 2.714 1.629 -3.091) 4.424 13.407 ( -3.398 -3.309 -1.023) 4.853 13.407 ( -3.398 3.309 -1.023) 4.853 13.804 ( -0.708 -0.800 -2.940) 3.128 13.804 ( -0.708 0.800 -2.940) 3.128 14.223 ( -0.157 -1.116 1.104) 1.577 14.223 ( -0.157 1.116 1.104) 1.577 14.562 ( 3.112 -3.738 4.515) 6.636 14.562 ( 3.112 3.738 4.515) 6.636 14.897 ( 1.350 -4.496 0.813) 4.764 14.897 ( 1.350 4.496 0.813) 4.764 15.372 ( -1.321 -1.681 -2.947) 3.641 15.372 ( -1.321 1.681 -2.947) 3.641 15.584 ( -1.981 -0.732 -2.617) 3.362 15.584 ( -1.981 0.732 -2.617) 3.362 15.759 ( -1.669 -1.348 3.674) 4.255 15.759 ( -1.669 1.348 3.674) 4.255 16.311 ( 1.156 -3.048 -0.124) 3.263 16.311 ( 1.156 3.048 -0.124) 3.263 16.926 ( -0.005 -1.211 0.175) 1.223 16.926 ( -0.005 1.211 0.175) 1.223 17.643 ( 0.060 -0.668 0.013) 0.671 17.643 ( 0.060 0.668 0.013) 0.671 21.001 ( -0.710 -0.898 -0.762) 1.375 21.001 ( -0.710 0.898 -0.762) 1.375 21.171 ( 0.379 -3.057 -0.249) 3.090 21.171 ( 0.379 3.057 -0.249) 3.090 22.071 ( 0.291 -2.361 2.518) 3.464 22.071 ( 0.291 2.361 2.518) 3.464 22.158 ( 1.295 -1.045 -0.788) 1.841 22.158 ( 1.295 1.045 -0.788) 1.841 22.251 ( -0.908 -2.879 -0.962) 3.169 22.251 ( -0.908 2.879 -0.962) 3.169 22.709 ( -2.362 -3.427 4.912) 6.438 22.709 ( -2.362 3.427 4.912) 6.438 22.910 ( 5.486 -1.551 -3.810) 6.858 22.910 ( 5.486 1.551 -3.810) 6.858 23.018 ( -1.424 -1.204 -2.551) 3.160 23.018 ( -1.424 1.204 -2.551) 3.160 23.488 ( 0.399 -1.253 3.958) 4.171 23.488 ( 0.399 1.253 3.958) 4.171 23.884 ( -2.874 -3.446 5.625) 7.195 23.884 ( -2.874 3.446 5.625) 7.195 24.135 ( 1.843 -3.621 -3.272) 5.217 24.135 ( 1.843 3.621 -3.272) 5.217 24.229 ( 0.065 -2.101 -1.232) 2.437 24.229 ( 0.065 2.101 -1.232) 2.437 24.622 ( -2.185 -1.575 1.020) 2.880 24.622 ( -2.185 1.575 1.020) 2.880 24.696 ( 1.695 -1.017 -2.404) 3.113 24.696 ( 1.695 1.017 -2.404) 3.113 24.762 ( 0.457 -4.436 -1.388) 4.671 24.762 ( 0.457 4.436 -1.388) 4.671 25.130 ( -1.197 -4.071 0.925) 4.343 25.130 ( -1.197 4.071 0.925) 4.343 ======================= Grid point 117 (63/80) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -4.496 -1.133 7.128) 8.503 1.622 ( -4.496 1.133 7.128) 8.503 1.872 ( 4.266 -8.130 0.797) 9.216 1.872 ( 4.266 8.130 0.797) 9.216 2.062 ( -6.487 -4.591 2.996) 8.493 2.062 ( -6.487 4.591 2.996) 8.493 2.095 ( 0.994 -2.150 -0.269) 2.384 2.095 ( 0.994 2.150 -0.269) 2.384 2.312 ( 3.305 -3.565 -8.733) 9.995 2.312 ( 3.305 3.565 -8.733) 9.995 2.419 ( 5.416 -1.769 -1.568) 5.909 2.419 ( 5.416 1.769 -1.568) 5.909 2.675 ( -4.603 -3.152 1.881) 5.887 2.675 ( -4.603 3.152 1.881) 5.887 2.774 ( -4.318 -3.215 -0.770) 5.438 2.774 ( -4.318 3.215 -0.770) 5.438 2.982 ( 0.521 -2.254 -6.600) 6.994 2.982 ( 0.521 2.254 -6.600) 6.994 3.107 ( -5.587 -3.623 -2.503) 7.114 3.107 ( -5.587 3.623 -2.503) 7.114 3.242 ( 1.285 -5.082 6.804) 8.589 3.242 ( 1.285 5.082 6.804) 8.589 3.382 ( 4.249 -4.193 0.299) 5.977 3.382 ( 4.249 4.193 0.299) 5.977 3.418 ( -3.439 -5.036 4.791) 7.755 3.418 ( -3.439 5.036 4.791) 7.755 3.571 ( -4.859 -0.134 2.144) 5.312 3.571 ( -4.859 0.134 2.144) 5.312 3.669 ( -6.880 -4.832 -0.312) 8.413 3.669 ( -6.880 4.832 -0.312) 8.413 3.768 ( 1.788 -2.189 1.481) 3.191 3.768 ( 1.788 2.189 1.481) 3.191 3.967 ( -2.081 -3.958 -3.228) 5.515 3.967 ( -2.081 3.958 -3.228) 5.515 4.033 ( -3.242 -2.754 -1.552) 4.528 4.033 ( -3.242 2.754 -1.552) 4.528 4.194 ( -1.571 -8.248 -0.134) 8.398 4.194 ( -1.571 8.248 -0.134) 8.398 4.365 ( 1.209 -2.396 2.499) 3.667 4.365 ( 1.209 2.396 2.499) 3.667 4.470 ( 4.934 -1.271 0.958) 5.185 4.470 ( 4.934 1.271 0.958) 5.185 4.587 ( 2.639 -4.462 -0.575) 5.215 4.587 ( 2.639 4.462 -0.575) 5.215 4.716 ( -4.806 -0.628 -4.282) 6.467 4.716 ( -4.806 0.628 -4.282) 6.467 4.784 ( 1.601 -3.093 3.564) 4.983 4.784 ( 1.601 3.093 3.564) 4.983 4.876 ( -6.748 -8.025 0.879) 10.522 4.876 ( -6.748 8.025 0.879) 10.522 4.999 ( -0.384 -2.546 3.158) 4.074 4.999 ( -0.384 2.546 3.158) 4.074 5.218 ( -1.409 -3.267 -0.635) 3.614 5.218 ( -1.409 3.267 -0.635) 3.614 5.275 ( 2.281 -1.300 1.728) 3.143 5.275 ( 2.281 1.300 1.728) 3.143 5.456 ( -6.796 -2.395 6.643) 9.801 5.456 ( -6.796 2.395 6.643) 9.801 5.694 ( 1.339 -6.666 -1.666) 7.001 5.694 ( 1.339 6.666 -1.666) 7.001 5.845 ( 4.486 -1.433 -2.712) 5.435 5.845 ( 4.486 1.433 -2.712) 5.435 5.957 ( 10.877 -9.315 -1.917) 14.448 5.957 ( 10.877 9.315 -1.917) 14.448 6.204 ( 3.257 -8.868 -3.051) 9.928 6.204 ( 3.257 8.868 -3.051) 9.928 6.362 ( 0.849 -1.386 -1.738) 2.380 6.362 ( 0.849 1.386 -1.738) 2.380 6.553 ( 1.660 -3.018 1.194) 3.645 6.553 ( 1.660 3.018 1.194) 3.645 6.906 ( 3.876 -4.068 -2.196) 6.033 6.906 ( 3.876 4.068 -2.196) 6.033 7.247 ( -2.622 -2.936 -1.982) 4.407 7.247 ( -2.622 2.936 -1.982) 4.407 7.373 ( -2.034 -1.425 -0.171) 2.489 7.373 ( -2.034 1.425 -0.171) 2.489 7.580 ( 0.382 -5.782 0.821) 5.852 7.580 ( 0.382 5.782 0.821) 5.852 7.660 ( 3.289 -5.038 -2.261) 6.427 7.660 ( 3.289 5.038 -2.261) 6.427 8.026 ( -3.836 -3.255 -1.351) 5.209 8.026 ( -3.836 3.255 -1.351) 5.209 8.166 ( 1.271 -2.185 -0.006) 2.528 8.166 ( 1.271 2.185 -0.006) 2.528 8.274 ( -2.917 -1.084 1.808) 3.599 8.274 ( -2.917 1.084 1.808) 3.599 8.564 ( -3.968 -2.745 -1.596) 5.083 8.564 ( -3.968 2.745 -1.596) 5.083 8.755 ( 0.451 -5.718 2.709) 6.344 8.755 ( 0.451 5.718 2.709) 6.344 8.917 ( -4.683 -5.973 2.612) 8.026 8.917 ( -4.683 5.973 2.612) 8.026 9.171 ( 1.120 -3.583 0.527) 3.791 9.171 ( 1.120 3.583 0.527) 3.791 9.523 ( -0.071 -0.799 0.819) 1.146 9.523 ( -0.071 0.799 0.819) 1.146 9.664 ( -1.759 -1.832 -3.909) 4.662 9.664 ( -1.759 1.832 -3.909) 4.662 9.784 ( 1.067 -1.464 1.579) 2.403 9.784 ( 1.067 1.464 1.579) 2.403 10.036 ( -3.035 -1.670 -1.384) 3.730 10.036 ( -3.035 1.670 -1.384) 3.730 10.141 ( 3.671 -0.440 2.834) 4.658 10.141 ( 3.671 0.440 2.834) 4.658 10.448 ( -0.237 -2.795 2.626) 3.842 10.448 ( -0.237 2.795 2.626) 3.842 10.534 ( -1.149 -1.324 -5.075) 5.369 10.534 ( -1.149 1.324 -5.075) 5.369 10.834 ( 7.586 -4.006 1.408) 8.694 10.834 ( 7.586 4.006 1.408) 8.694 11.059 ( 9.134 -3.922 -1.953) 10.130 11.059 ( 9.134 3.922 -1.953) 10.130 11.386 ( -1.570 -3.642 0.945) 4.077 11.386 ( -1.570 3.642 0.945) 4.077 11.576 ( 2.143 -4.781 -1.749) 5.524 11.576 ( 2.143 4.781 -1.749) 5.524 12.016 ( -2.202 -6.488 0.346) 6.860 12.016 ( -2.202 6.488 0.346) 6.860 12.327 ( 4.172 -3.241 1.711) 5.553 12.327 ( 4.172 3.241 1.711) 5.553 12.511 ( -6.170 -0.667 3.765) 7.259 12.511 ( -6.170 0.667 3.765) 7.259 12.768 ( 0.118 -2.303 -4.914) 5.428 12.768 ( 0.118 2.303 -4.914) 5.428 13.130 ( 3.112 -1.832 -3.651) 5.136 13.130 ( 3.112 1.832 -3.651) 5.136 13.378 ( -0.297 -1.918 2.762) 3.376 13.378 ( -0.297 1.918 2.762) 3.376 13.730 ( -5.219 -0.674 -0.689) 5.308 13.730 ( -5.219 0.674 -0.689) 5.308 14.256 ( 2.789 -0.194 0.647) 2.869 14.256 ( 2.789 0.194 0.647) 2.869 14.616 ( 0.080 -3.342 -0.570) 3.392 14.616 ( 0.080 3.342 -0.570) 3.392 14.882 ( -2.989 -2.321 -1.514) 4.076 14.882 ( -2.989 2.321 -1.514) 4.076 15.349 ( 0.830 -1.295 0.425) 1.596 15.349 ( 0.830 1.295 0.425) 1.596 15.546 ( -0.799 -0.245 0.453) 0.950 15.546 ( -0.799 0.245 0.453) 0.950 15.754 ( -2.871 -1.382 3.139) 4.473 15.754 ( -2.871 1.382 3.139) 4.473 16.321 ( 0.675 -2.279 -1.033) 2.592 16.321 ( 0.675 2.279 -1.033) 2.592 16.927 ( -0.100 -0.592 0.088) 0.607 16.927 ( -0.100 0.592 0.088) 0.607 17.645 ( 0.179 -0.828 -0.053) 0.849 17.645 ( 0.179 0.828 -0.053) 0.849 20.977 ( -1.489 -1.779 0.197) 2.328 20.977 ( -1.489 1.779 0.197) 2.328 21.167 ( -0.497 -3.126 -0.318) 3.181 21.167 ( -0.497 3.126 -0.318) 3.181 22.093 ( -0.385 -1.180 0.732) 1.441 22.093 ( -0.385 1.180 0.732) 1.441 22.160 ( 0.579 -0.619 -0.948) 1.272 22.160 ( 0.579 0.619 -0.948) 1.272 22.236 ( -0.232 -0.439 -0.128) 0.513 22.236 ( -0.232 0.439 -0.128) 0.513 22.703 ( -3.570 -1.955 4.196) 5.846 22.703 ( -3.570 1.955 4.196) 5.846 22.952 ( 5.028 -1.155 -6.850) 8.575 22.952 ( 5.028 1.155 -6.850) 8.575 22.996 ( 0.396 -0.524 0.230) 0.696 22.996 ( 0.396 0.524 0.230) 0.696 23.499 ( -2.026 -1.279 1.083) 2.629 23.499 ( -2.026 1.279 1.083) 2.629 23.907 ( -2.075 -3.333 6.299) 7.423 23.907 ( -2.075 3.333 6.299) 7.423 24.128 ( 1.570 -3.472 -3.701) 5.312 24.128 ( 1.570 3.472 -3.701) 5.312 24.225 ( 0.608 -1.937 -0.610) 2.120 24.225 ( 0.608 1.937 -0.610) 2.120 24.599 ( -1.597 -0.958 1.476) 2.377 24.599 ( -1.597 0.958 1.476) 2.377 24.706 ( 1.500 -1.359 -1.323) 2.418 24.706 ( 1.500 1.359 -1.323) 2.418 24.763 ( 1.321 -3.282 -1.228) 3.745 24.763 ( 1.321 3.282 -1.228) 3.745 25.139 ( 0.793 -5.382 1.343) 5.603 25.139 ( 0.793 5.382 1.343) 5.603 ======================= Grid point 119 (64/80) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -3.576 -7.215 1.459) 8.183 1.596 ( -3.576 7.215 1.459) 8.183 1.854 ( -13.406 -9.917 3.297) 16.999 1.854 ( -13.406 9.917 3.297) 16.999 1.970 ( 1.641 -4.797 -0.691) 5.117 1.970 ( 1.641 4.797 -0.691) 5.117 2.172 ( 4.764 -4.421 0.267) 6.505 2.172 ( 4.764 4.421 0.267) 6.505 2.272 ( 2.500 -2.451 -7.876) 8.619 2.272 ( 2.500 2.451 -7.876) 8.619 2.514 ( 6.678 -0.972 -3.348) 7.533 2.514 ( 6.678 0.972 -3.348) 7.533 2.598 ( -6.614 -7.646 0.984) 10.158 2.598 ( -6.614 7.646 0.984) 10.158 2.688 ( -0.846 -2.367 1.596) 2.978 2.688 ( -0.846 2.367 1.596) 2.978 2.881 ( -2.112 -3.628 -6.243) 7.523 2.881 ( -2.112 3.628 -6.243) 7.523 3.056 ( 1.018 -4.754 -1.609) 5.121 3.056 ( 1.018 4.754 -1.609) 5.121 3.273 ( -5.380 -1.179 -1.864) 5.814 3.273 ( -5.380 1.179 -1.864) 5.814 3.360 ( -1.636 -4.296 2.542) 5.253 3.360 ( -1.636 4.296 2.542) 5.253 3.476 ( -5.597 -1.322 -1.661) 5.986 3.476 ( -5.597 1.322 -1.661) 5.986 3.495 ( -2.240 -6.765 4.929) 8.665 3.495 ( -2.240 6.765 4.929) 8.665 3.587 ( -0.686 -3.891 4.549) 6.026 3.587 ( -0.686 3.891 4.549) 6.026 3.777 ( -1.035 -2.850 1.478) 3.373 3.777 ( -1.035 2.850 1.478) 3.373 3.968 ( 5.108 -2.353 0.635) 5.660 3.968 ( 5.108 2.353 0.635) 5.660 3.994 ( 0.040 -4.749 -1.435) 4.961 3.994 ( 0.040 4.749 -1.435) 4.961 4.186 ( -0.161 -11.495 -0.623) 11.513 4.186 ( -0.161 11.495 -0.623) 11.513 4.354 ( -3.417 -2.495 -0.835) 4.312 4.354 ( -3.417 2.495 -0.835) 4.312 4.483 ( -4.013 -3.507 -2.546) 5.906 4.483 ( -4.013 3.507 -2.546) 5.906 4.605 ( -2.187 -5.134 -2.410) 6.078 4.605 ( -2.187 5.134 -2.410) 6.078 4.661 ( 4.239 -4.846 2.224) 6.812 4.661 ( 4.239 4.846 2.224) 6.812 4.743 ( -1.854 -5.167 1.776) 5.770 4.743 ( -1.854 5.167 1.776) 5.770 4.860 ( -1.867 -3.889 -0.043) 4.314 4.860 ( -1.867 3.889 -0.043) 4.314 5.049 ( 0.955 -4.005 3.672) 5.517 5.049 ( 0.955 4.005 3.672) 5.517 5.158 ( -2.259 -3.161 -2.988) 4.901 5.158 ( -2.259 3.161 -2.988) 4.901 5.250 ( -5.803 -2.463 0.092) 6.305 5.250 ( -5.803 2.463 0.092) 6.305 5.438 ( -2.208 -3.118 2.831) 4.755 5.438 ( -2.208 3.118 2.831) 4.755 5.720 ( 1.996 -11.002 1.503) 11.282 5.720 ( 1.996 11.002 1.503) 11.282 5.940 ( 5.639 -2.702 4.542) 7.728 5.940 ( 5.639 2.702 4.542) 7.728 6.145 ( 6.074 -4.549 2.461) 7.978 6.145 ( 6.074 4.549 2.461) 7.978 6.319 ( 11.565 -11.750 1.430) 16.549 6.319 ( 11.565 11.750 1.430) 16.549 6.357 ( 3.048 -3.460 -4.144) 6.200 6.357 ( 3.048 3.460 -4.144) 6.200 6.601 ( 0.988 -5.083 2.138) 5.602 6.601 ( 0.988 5.083 2.138) 5.602 6.934 ( 3.090 -1.801 -2.448) 4.334 6.934 ( 3.090 1.801 -2.448) 4.334 7.192 ( -2.677 -3.084 -2.023) 4.558 7.192 ( -2.677 3.084 -2.023) 4.558 7.321 ( -0.418 -3.305 -2.003) 3.887 7.321 ( -0.418 3.305 -2.003) 3.887 7.564 ( -0.729 -3.863 -0.861) 4.024 7.564 ( -0.729 3.863 -0.861) 4.024 7.689 ( -2.564 -5.832 -2.394) 6.806 7.689 ( -2.564 5.832 -2.394) 6.806 7.967 ( 1.321 -3.208 -0.381) 3.490 7.967 ( 1.321 3.208 -0.381) 3.490 8.132 ( -2.685 -2.233 0.598) 3.544 8.132 ( -2.685 2.233 0.598) 3.544 8.310 ( 0.611 -2.061 4.022) 4.561 8.310 ( 0.611 2.061 4.022) 4.561 8.484 ( -1.963 -3.785 -2.178) 4.788 8.484 ( -1.963 3.785 -2.178) 4.788 8.788 ( -1.606 -5.737 5.234) 7.930 8.788 ( -1.606 5.737 5.234) 7.930 8.867 ( -3.809 -4.935 2.460) 6.702 8.867 ( -3.809 4.935 2.460) 6.702 9.190 ( 1.595 -3.047 -1.720) 3.845 9.190 ( 1.595 3.047 -1.720) 3.845 9.463 ( -4.897 -0.377 -3.496) 6.029 9.463 ( -4.897 0.377 -3.496) 6.029 9.607 ( 0.732 -1.605 -4.173) 4.531 9.607 ( 0.732 1.605 -4.173) 4.531 9.805 ( -0.239 -0.479 0.585) 0.793 9.805 ( -0.239 0.479 0.585) 0.793 9.981 ( -1.623 -1.324 -1.353) 2.494 9.981 ( -1.623 1.324 -1.353) 2.494 10.242 ( 1.111 -1.112 6.618) 6.802 10.242 ( 1.111 1.112 6.618) 6.802 10.455 ( -0.703 -2.102 -3.586) 4.216 10.455 ( -0.703 2.102 -3.586) 4.216 10.483 ( 2.518 -1.020 -0.774) 2.825 10.483 ( 2.518 1.020 -0.774) 2.825 11.015 ( 9.429 -5.462 0.701) 10.919 11.015 ( 9.429 5.462 0.701) 10.919 11.193 ( 5.839 -6.474 2.135) 8.976 11.193 ( 5.839 6.474 2.135) 8.976 11.384 ( -0.055 -6.055 1.458) 6.228 11.384 ( -0.055 6.055 1.458) 6.228 11.591 ( 1.573 -5.494 -2.408) 6.202 11.591 ( 1.573 5.494 -2.408) 6.202 12.021 ( 2.857 -5.058 1.031) 5.900 12.021 ( 2.857 5.058 1.031) 5.900 12.366 ( -8.050 -2.325 3.181) 8.962 12.366 ( -8.050 2.325 3.181) 8.962 12.439 ( 1.695 -1.392 -2.637) 3.430 12.439 ( 1.695 1.392 -2.637) 3.430 12.705 ( -1.383 -2.125 -2.570) 3.610 12.705 ( -1.383 2.125 -2.570) 3.610 13.136 ( 2.483 -0.655 -4.561) 5.235 13.136 ( 2.483 0.655 -4.561) 5.235 13.424 ( -0.130 -3.494 3.115) 4.682 13.424 ( -0.130 3.494 3.115) 4.682 13.668 ( -1.800 -0.988 4.490) 4.937 13.668 ( -1.800 0.988 4.490) 4.937 14.280 ( -0.671 -0.812 -3.773) 3.918 14.280 ( -0.671 0.812 -3.773) 3.918 14.569 ( -0.310 -7.609 -3.969) 8.588 14.569 ( -0.310 7.609 -3.969) 8.588 14.820 ( -2.144 -5.049 0.243) 5.491 14.820 ( -2.144 5.049 0.243) 5.491 15.364 ( -0.536 -0.905 0.200) 1.071 15.364 ( -0.536 0.905 0.200) 1.071 15.583 ( 1.961 -1.280 4.170) 4.782 15.583 ( 1.961 1.280 4.170) 4.782 15.732 ( -3.302 -1.712 3.261) 4.947 15.732 ( -3.302 1.712 3.261) 4.947 16.313 ( 0.280 -2.078 -1.981) 2.885 16.313 ( 0.280 2.078 -1.981) 2.885 16.924 ( -0.170 -0.219 -0.032) 0.279 16.924 ( -0.170 0.219 -0.032) 0.279 17.647 ( 0.158 -0.925 -0.124) 0.946 17.647 ( 0.158 0.925 -0.124) 0.946 20.963 ( -0.730 -2.163 1.105) 2.537 20.963 ( -0.730 2.163 1.105) 2.537 21.150 ( -1.002 -2.891 -0.351) 3.080 21.150 ( -1.002 2.891 -0.351) 3.080 22.071 ( -1.323 -2.745 -0.978) 3.200 22.071 ( -1.323 2.745 -0.978) 3.200 22.160 ( 0.533 -0.862 -2.105) 2.336 22.160 ( 0.533 0.862 -2.105) 2.336 22.243 ( 0.179 -3.112 1.770) 3.585 22.243 ( 0.179 3.112 1.770) 3.585 22.680 ( -3.149 -1.459 2.763) 4.436 22.680 ( -3.149 1.459 2.763) 4.436 22.934 ( 2.606 -3.102 -8.443) 9.365 22.934 ( 2.606 3.102 -8.443) 9.365 23.039 ( 2.657 -0.345 2.753) 3.841 23.039 ( 2.657 0.345 2.753) 3.841 23.444 ( -4.248 -0.984 -1.095) 4.496 23.444 ( -4.248 0.984 -1.095) 4.496 23.931 ( -2.202 -1.763 5.279) 5.986 23.931 ( -2.202 1.763 5.279) 5.986 24.116 ( 1.574 -2.473 -3.656) 4.686 24.116 ( 1.574 2.473 -3.656) 4.686 24.236 ( 1.054 -1.396 -0.112) 1.752 24.236 ( 1.054 1.396 -0.112) 1.752 24.599 ( -0.977 -1.454 2.437) 3.001 24.599 ( -0.977 1.454 2.437) 3.001 24.711 ( 0.256 -0.269 -0.737) 0.825 24.711 ( 0.256 0.269 -0.737) 0.825 24.788 ( 3.048 -2.895 -1.363) 4.419 24.788 ( 3.048 2.895 -1.363) 4.419 25.175 ( 1.041 -5.118 1.998) 5.592 25.175 ( 1.041 5.118 1.998) 5.592 ======================= Grid point 133 (65/80) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -2.972 0.000 -22.053) 22.253 1.319 ( 2.972 0.000 22.053) 22.253 1.495 ( 6.243 0.000 -19.836) 20.795 1.495 ( -6.243 0.000 19.836) 20.795 1.698 ( -3.284 0.000 -1.355) 3.553 1.698 ( 3.284 0.000 1.355) 3.553 2.097 ( -1.202 0.000 -0.622) 1.354 2.097 ( 1.202 0.000 0.622) 1.354 2.370 ( -1.777 0.000 -1.078) 2.078 2.370 ( 1.777 0.000 1.078) 2.078 2.542 ( -8.103 0.000 0.794) 8.142 2.542 ( 8.103 0.000 -0.794) 8.142 2.590 ( -1.215 0.000 -4.139) 4.314 2.590 ( 1.215 0.000 4.139) 4.314 2.895 ( -2.952 0.000 -4.320) 5.233 2.895 ( 2.952 0.000 4.320) 5.233 2.957 ( -2.351 0.000 -0.988) 2.550 2.957 ( 2.351 0.000 0.988) 2.550 3.103 ( -1.825 0.000 -8.544) 8.737 3.103 ( 1.825 0.000 8.544) 8.737 3.210 ( -3.457 0.000 -8.335) 9.023 3.210 ( 3.457 0.000 8.335) 9.023 3.355 ( 1.263 0.000 -0.460) 1.344 3.355 ( -1.263 0.000 0.460) 1.344 3.458 ( 2.528 0.000 -7.929) 8.322 3.458 ( -2.528 0.000 7.929) 8.322 3.538 ( -3.391 0.000 -0.987) 3.532 3.538 ( 3.391 0.000 0.987) 3.532 3.606 ( -4.707 0.000 0.188) 4.711 3.606 ( 4.707 0.000 -0.188) 4.711 3.737 ( -5.653 0.000 0.490) 5.674 3.737 ( 5.653 0.000 -0.490) 5.674 3.829 ( 1.458 0.000 -6.028) 6.202 3.829 ( -1.458 0.000 6.028) 6.202 3.909 ( -0.377 0.000 -5.789) 5.802 3.909 ( 0.377 0.000 5.789) 5.802 3.943 ( 0.776 0.000 -0.994) 1.261 3.943 ( -0.776 0.000 0.994) 1.261 4.282 ( -4.263 0.000 -4.686) 6.335 4.282 ( 4.263 0.000 4.686) 6.335 4.366 ( -8.364 0.000 -0.985) 8.421 4.366 ( 8.364 0.000 0.985) 8.421 4.460 ( 0.455 0.000 -3.754) 3.781 4.460 ( -0.455 0.000 3.754) 3.781 4.534 ( -0.197 0.000 -5.020) 5.023 4.534 ( 0.197 0.000 5.020) 5.023 4.551 ( -2.959 0.000 -3.343) 4.464 4.551 ( 2.959 0.000 3.343) 4.464 4.761 ( 4.113 0.000 -3.269) 5.254 4.761 ( -4.113 0.000 3.269) 5.254 4.899 ( -4.036 0.000 -5.158) 6.549 4.899 ( 4.036 0.000 5.158) 6.549 5.156 ( 2.078 0.000 -6.553) 6.875 5.156 ( -2.078 0.000 6.553) 6.875 5.366 ( 0.387 0.000 -0.158) 0.418 5.366 ( -0.387 0.000 0.158) 0.418 5.534 ( 0.697 0.000 -9.132) 9.159 5.534 ( -0.697 0.000 9.132) 9.159 5.661 ( -3.777 0.000 -2.243) 4.393 5.661 ( 3.777 0.000 2.243) 4.393 5.898 ( 1.015 0.000 -6.791) 6.866 5.898 ( -1.015 0.000 6.791) 6.866 6.373 ( -1.534 0.000 0.233) 1.552 6.373 ( 1.534 0.000 -0.233) 1.552 6.431 ( -0.591 0.000 -4.670) 4.708 6.431 ( 0.591 0.000 4.670) 4.708 6.713 ( -3.749 0.000 -0.391) 3.769 6.713 ( 3.749 0.000 0.391) 3.769 6.880 ( 0.042 0.000 -0.187) 0.192 6.880 ( -0.042 0.000 0.187) 0.192 7.070 ( 6.891 0.000 -10.883) 12.881 7.070 ( -6.891 0.000 10.883) 12.881 7.267 ( -1.346 0.000 -4.434) 4.634 7.267 ( 1.346 0.000 4.434) 4.634 7.429 ( 0.942 0.000 -3.056) 3.198 7.429 ( -0.942 0.000 3.056) 3.198 7.523 ( -8.260 0.000 -11.323) 14.016 7.523 ( 8.260 0.000 11.323) 14.016 7.749 ( -7.496 0.000 0.397) 7.507 7.749 ( 7.496 0.000 -0.397) 7.507 7.814 ( -3.055 0.000 -5.297) 6.115 7.814 ( 3.055 0.000 5.297) 6.115 8.096 ( -4.737 0.000 0.111) 4.738 8.096 ( 4.737 0.000 -0.111) 4.738 8.480 ( 4.138 0.000 -3.409) 5.362 8.480 ( -4.138 0.000 3.409) 5.362 8.587 ( -3.063 0.000 -2.059) 3.691 8.587 ( 3.063 0.000 2.059) 3.691 8.722 ( 4.076 0.000 -11.751) 12.437 8.722 ( -4.076 0.000 11.751) 12.437 8.813 ( 0.354 0.000 -9.232) 9.238 8.813 ( -0.354 0.000 9.232) 9.238 9.133 ( 2.329 0.000 -5.507) 5.979 9.133 ( -2.329 0.000 5.507) 5.979 9.330 ( 3.801 0.000 -1.362) 4.038 9.330 ( -3.801 0.000 1.362) 4.038 9.661 ( 4.142 0.000 -4.954) 6.457 9.661 ( -4.142 0.000 4.954) 6.457 9.743 ( -0.719 0.000 -1.190) 1.391 9.743 ( 0.719 0.000 1.190) 1.391 9.952 ( -0.913 0.000 -0.514) 1.048 9.952 ( 0.913 0.000 0.514) 1.048 10.373 ( 0.781 0.000 -3.065) 3.163 10.373 ( -0.781 0.000 3.065) 3.163 10.451 ( 3.700 0.000 -2.679) 4.568 10.451 ( -3.700 0.000 2.679) 4.568 10.563 ( 0.388 0.000 -1.485) 1.535 10.563 ( -0.388 0.000 1.485) 1.535 10.908 ( -1.289 0.000 -1.495) 1.974 10.908 ( 1.289 0.000 1.495) 1.974 10.984 ( -3.365 0.000 -4.337) 5.489 10.984 ( 3.365 0.000 4.337) 5.489 11.550 ( -3.375 0.000 -4.689) 5.777 11.550 ( 3.375 0.000 4.689) 5.777 11.843 ( 10.291 0.000 -3.445) 10.852 11.843 ( -10.291 0.000 3.445) 10.852 11.976 ( -7.159 0.000 -0.975) 7.225 11.976 ( 7.159 0.000 0.975) 7.225 12.354 ( -1.024 0.000 -6.224) 6.307 12.354 ( 1.024 0.000 6.224) 6.307 12.524 ( -8.197 0.000 -0.031) 8.197 12.524 ( 8.197 0.000 0.031) 8.197 12.651 ( 3.685 0.000 -2.143) 4.263 12.651 ( -3.685 0.000 2.143) 4.263 12.944 ( 3.916 0.000 -3.561) 5.293 12.944 ( -3.916 0.000 3.561) 5.293 13.265 ( -1.058 0.000 -1.564) 1.888 13.265 ( 1.058 0.000 1.564) 1.888 13.578 ( -2.997 0.000 -3.014) 4.250 13.578 ( 2.997 0.000 3.014) 4.250 13.938 ( -5.300 0.000 -11.866) 12.996 13.938 ( 5.300 0.000 11.866) 12.996 14.578 ( -7.739 0.000 -2.250) 8.059 14.578 ( 7.739 0.000 2.250) 8.059 14.898 ( -8.332 0.000 -0.640) 8.357 14.898 ( 8.332 0.000 0.640) 8.357 15.329 ( -3.436 0.000 -1.548) 3.769 15.329 ( 3.436 0.000 1.548) 3.769 15.681 ( 4.289 0.000 -1.836) 4.665 15.681 ( -4.289 0.000 1.836) 4.665 16.004 ( 1.888 0.000 -1.303) 2.294 16.004 ( -1.888 0.000 1.303) 2.294 16.252 ( 5.510 0.000 -6.323) 8.387 16.252 ( -5.510 0.000 6.323) 8.387 16.774 ( 1.282 0.000 -3.276) 3.518 16.774 ( -1.282 0.000 3.276) 3.518 17.670 ( 0.543 0.000 -1.549) 1.642 17.670 ( -0.543 0.000 1.549) 1.642 20.911 ( -0.350 0.000 -1.575) 1.613 20.911 ( 0.350 0.000 1.575) 1.613 21.279 ( 4.779 0.000 -4.110) 6.303 21.279 ( -4.779 0.000 4.110) 6.303 21.920 ( -0.043 0.000 -0.260) 0.263 21.920 ( 0.043 0.000 0.260) 0.263 21.991 ( -1.058 0.000 -1.262) 1.646 21.991 ( 1.058 0.000 1.262) 1.646 22.290 ( 2.732 0.000 -2.683) 3.829 22.290 ( -2.732 0.000 2.683) 3.829 22.674 ( 3.084 0.000 -2.129) 3.747 22.674 ( -3.084 0.000 2.129) 3.747 22.989 ( -1.546 0.000 -3.680) 3.991 22.989 ( 1.546 0.000 3.680) 3.991 23.252 ( 0.892 0.000 -3.134) 3.259 23.252 ( -0.892 0.000 3.134) 3.259 23.476 ( -6.304 0.000 -6.624) 9.145 23.476 ( 6.304 0.000 6.624) 9.145 23.981 ( 2.023 0.000 -2.439) 3.169 23.981 ( -2.023 0.000 2.439) 3.169 24.046 ( 0.400 0.000 -0.240) 0.466 24.046 ( -0.400 0.000 0.240) 0.466 24.181 ( 1.822 0.000 -2.350) 2.974 24.181 ( -1.822 0.000 2.350) 2.974 24.575 ( -2.565 0.000 -1.936) 3.213 24.575 ( 2.565 0.000 1.936) 3.213 24.652 ( -1.983 0.000 0.430) 2.029 24.652 ( 1.983 0.000 -0.430) 2.029 24.738 ( 0.835 0.000 -5.024) 5.093 24.738 ( -0.835 0.000 5.024) 5.093 25.358 ( 1.933 0.000 -4.566) 4.958 25.358 ( -1.933 0.000 4.566) 4.958 ======================= Grid point 135 (66/80) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 1.635 0.000 -19.142) 19.212 1.376 ( 6.201 0.000 -11.133) 12.743 1.618 ( -1.722 0.000 12.257) 12.377 1.641 ( 9.454 0.000 6.251) 11.334 1.702 ( -1.949 0.000 13.594) 13.733 1.823 ( 4.604 0.000 10.448) 11.417 2.096 ( -18.239 0.000 -0.673) 18.251 2.103 ( 1.386 0.000 0.061) 1.387 2.184 ( 6.093 0.000 -3.033) 6.807 2.290 ( -5.122 0.000 -3.237) 6.059 2.594 ( 3.740 0.000 -4.011) 5.484 2.607 ( 7.248 0.000 1.673) 7.439 2.688 ( 3.395 0.000 3.268) 4.712 2.691 ( -0.133 0.000 4.595) 4.597 2.826 ( 4.108 0.000 -3.727) 5.547 2.866 ( -5.575 0.000 -3.305) 6.480 2.942 ( 2.119 0.000 -2.190) 3.047 2.997 ( 0.372 0.000 -0.612) 0.716 3.033 ( 6.824 0.000 -11.636) 13.489 3.128 ( 0.712 0.000 -6.471) 6.510 3.154 ( 3.156 0.000 -0.454) 3.189 3.309 ( -2.380 0.000 1.588) 2.861 3.340 ( 2.582 0.000 -1.107) 2.810 3.349 ( -3.040 0.000 1.248) 3.286 3.354 ( -2.127 0.000 -9.355) 9.594 3.451 ( 4.164 0.000 2.802) 5.019 3.539 ( -0.571 0.000 4.917) 4.950 3.558 ( 6.547 0.000 -3.631) 7.486 3.614 ( -3.208 0.000 -8.032) 8.649 3.669 ( -5.136 0.000 10.320) 11.528 3.704 ( 2.280 0.000 3.282) 3.996 3.708 ( 4.186 0.000 3.362) 5.369 3.821 ( -1.803 0.000 -4.742) 5.073 3.822 ( -0.401 0.000 -4.737) 4.754 3.921 ( 5.122 0.000 -1.942) 5.478 3.946 ( -1.540 0.000 6.483) 6.664 4.024 ( 0.213 0.000 -1.264) 1.282 4.085 ( 4.380 0.000 10.945) 11.789 4.164 ( -4.753 0.000 -3.489) 5.896 4.298 ( 9.230 0.000 -1.687) 9.383 4.352 ( -2.624 0.000 -2.907) 3.916 4.410 ( -2.676 0.000 2.188) 3.456 4.436 ( -3.334 0.000 -2.008) 3.892 4.457 ( 3.251 0.000 6.297) 7.087 4.483 ( 3.037 0.000 -10.085) 10.533 4.551 ( -1.251 0.000 2.450) 2.751 4.568 ( 6.054 0.000 -0.496) 6.074 4.669 ( 3.884 0.000 3.142) 4.995 4.762 ( -0.433 0.000 4.208) 4.231 4.817 ( 2.009 0.000 -3.079) 3.677 4.897 ( 6.007 0.000 3.294) 6.851 5.071 ( 4.420 0.000 7.488) 8.696 5.125 ( 1.725 0.000 -6.014) 6.256 5.206 ( -0.054 0.000 9.222) 9.222 5.234 ( -17.847 0.000 3.757) 18.238 5.285 ( -5.986 0.000 2.521) 6.495 5.456 ( 2.589 0.000 -10.904) 11.207 5.537 ( -5.459 0.000 -1.887) 5.776 5.627 ( 2.647 0.000 0.406) 2.678 5.731 ( 1.421 0.000 2.166) 2.591 5.829 ( -0.431 0.000 -6.547) 6.561 5.881 ( -5.443 0.000 0.598) 5.476 6.300 ( -4.838 0.000 3.298) 5.856 6.348 ( -4.997 0.000 5.745) 7.614 6.441 ( 4.648 0.000 -5.690) 7.348 6.511 ( -2.202 0.000 1.198) 2.507 6.583 ( -4.129 0.000 -3.347) 5.315 6.732 ( -0.391 0.000 -0.043) 0.394 6.808 ( -4.099 0.000 -5.370) 6.756 6.879 ( -0.342 0.000 0.477) 0.587 7.056 ( -1.672 0.000 -7.378) 7.565 7.116 ( -0.922 0.000 6.996) 7.057 7.158 ( -1.524 0.000 -7.926) 8.071 7.230 ( -7.596 0.000 -0.473) 7.611 7.299 ( -1.957 0.000 -6.869) 7.142 7.425 ( -0.462 0.000 -1.202) 1.288 7.462 ( 0.944 0.000 -0.106) 0.950 7.678 ( -1.375 0.000 4.279) 4.495 7.752 ( 0.838 0.000 0.010) 0.838 7.773 ( 8.720 0.000 5.004) 10.054 7.907 ( 8.712 0.000 0.032) 8.712 7.945 ( 2.587 0.000 9.259) 9.614 8.034 ( -1.678 0.000 -0.310) 1.707 8.157 ( 2.085 0.000 -1.334) 2.475 8.390 ( -6.125 0.000 -8.660) 10.607 8.430 ( -4.507 0.000 2.144) 4.990 8.497 ( 0.867 0.000 -2.426) 2.576 8.526 ( -4.645 0.000 -3.276) 5.684 8.652 ( 5.569 0.000 -14.685) 15.706 8.727 ( -6.561 0.000 8.582) 10.803 8.791 ( 4.085 0.000 -6.519) 7.693 8.920 ( -0.699 0.000 10.040) 10.064 9.265 ( 3.660 0.000 -0.040) 3.660 9.269 ( 3.658 0.000 2.347) 4.346 9.308 ( 5.448 0.000 9.479) 10.934 9.357 ( 2.823 0.000 -0.656) 2.899 9.662 ( -2.731 0.000 6.534) 7.082 9.689 ( 3.425 0.000 -4.009) 5.273 9.739 ( 2.451 0.000 0.371) 2.478 9.761 ( 1.318 0.000 -1.129) 1.735 9.955 ( 1.418 0.000 0.086) 1.420 9.995 ( 2.730 0.000 1.554) 3.141 10.345 ( -4.129 0.000 -1.110) 4.276 10.387 ( -4.539 0.000 3.014) 5.449 10.389 ( -2.805 0.000 2.467) 3.735 10.419 ( -2.789 0.000 -1.793) 3.315 10.505 ( -2.690 0.000 -3.501) 4.415 10.505 ( -2.850 0.000 -4.099) 4.993 10.799 ( -9.638 0.000 -1.103) 9.701 10.867 ( -1.840 0.000 0.324) 1.868 10.964 ( 1.072 0.000 -2.775) 2.975 11.041 ( -1.908 0.000 1.619) 2.503 11.470 ( 1.955 0.000 -5.226) 5.579 11.540 ( -7.046 0.000 -2.114) 7.356 11.771 ( -3.843 0.000 10.531) 11.211 11.777 ( -7.586 0.000 -4.374) 8.757 12.012 ( 3.629 0.000 -0.165) 3.633 12.125 ( 0.736 0.000 2.340) 2.453 12.290 ( -4.765 0.000 4.149) 6.318 12.298 ( 4.034 0.000 -4.923) 6.365 12.570 ( 7.232 0.000 2.442) 7.633 12.631 ( 4.442 0.000 -1.438) 4.669 12.651 ( -0.773 0.000 4.550) 4.615 12.766 ( 11.162 0.000 -3.829) 11.800 12.906 ( -3.571 0.000 2.219) 4.204 12.953 ( 0.857 0.000 -2.802) 2.930 13.261 ( 1.170 0.000 0.923) 1.490 13.317 ( 2.419 0.000 1.875) 3.061 13.534 ( 1.394 0.000 -2.773) 3.104 13.678 ( 3.032 0.000 1.545) 3.403 13.750 ( -0.211 0.000 -10.480) 10.482 14.140 ( 3.839 0.000 10.095) 10.801 14.424 ( -7.264 0.000 -2.206) 7.591 14.705 ( 3.951 0.000 0.462) 3.978 14.774 ( -3.609 0.000 1.884) 4.072 14.993 ( 3.665 0.000 -1.916) 4.136 15.313 ( 2.554 0.000 0.838) 2.688 15.413 ( 3.620 0.000 1.125) 3.791 15.591 ( -4.775 0.000 -2.627) 5.450 15.668 ( -0.163 0.000 -7.679) 7.680 16.026 ( 1.481 0.000 2.652) 3.037 16.044 ( 2.060 0.000 0.927) 2.259 16.258 ( -2.888 0.000 8.835) 9.295 16.320 ( 7.664 0.000 -2.758) 8.145 16.760 ( 1.028 0.000 -3.121) 3.286 16.779 ( -2.010 0.000 2.963) 3.580 17.662 ( 0.481 0.000 -1.583) 1.655 17.673 ( -0.875 0.000 1.327) 1.589 20.899 ( 0.883 0.000 -1.323) 1.590 20.936 ( 0.595 0.000 1.345) 1.470 21.266 ( -1.191 0.000 3.861) 4.041 21.327 ( 6.578 0.000 -6.186) 9.030 21.911 ( 0.031 0.000 -1.152) 1.152 21.914 ( -0.239 0.000 -0.918) 0.949 21.976 ( 0.134 0.000 -0.058) 0.146 22.026 ( 0.959 0.000 1.564) 1.835 22.292 ( -1.804 0.000 5.043) 5.356 22.330 ( 4.157 0.000 -1.423) 4.393 22.652 ( -2.674 0.000 3.478) 4.388 22.712 ( 3.873 0.000 -1.909) 4.318 22.925 ( -1.634 0.000 -2.599) 3.070 23.029 ( -0.670 0.000 1.324) 1.484 23.147 ( -7.388 0.000 -2.961) 7.960 23.181 ( -1.523 0.000 -5.992) 6.183 23.458 ( 2.804 0.000 2.646) 3.855 23.698 ( 3.465 0.000 11.603) 12.109 23.940 ( -5.157 0.000 1.845) 5.478 23.955 ( -1.367 0.000 -3.309) 3.580 24.028 ( 0.007 0.000 -2.314) 2.314 24.048 ( 1.519 0.000 -2.101) 2.593 24.177 ( -1.915 0.000 3.151) 3.687 24.206 ( 3.748 0.000 -0.410) 3.770 24.525 ( -0.879 0.000 -1.007) 1.337 24.630 ( 2.854 0.000 -1.124) 3.067 24.633 ( -0.805 0.000 0.824) 1.152 24.677 ( 1.512 0.000 -1.581) 2.188 24.729 ( 1.883 0.000 0.279) 1.903 24.779 ( -1.333 0.000 6.109) 6.253 25.284 ( -2.599 0.000 -8.315) 8.712 25.322 ( -6.679 0.000 3.605) 7.590 ======================= Grid point 136 (67/80) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 15.311 0.000 -11.185) 18.962 1.428 ( 14.557 0.000 -14.841) 20.788 1.657 ( -11.736 0.000 15.894) 19.757 1.675 ( -19.295 0.000 0.553) 19.303 1.895 ( 4.247 0.000 17.314) 17.827 1.898 ( 3.778 0.000 8.076) 8.916 2.028 ( 6.634 0.000 6.905) 9.575 2.118 ( 2.380 0.000 -3.283) 4.055 2.200 ( -0.854 0.000 -1.755) 1.952 2.280 ( 4.593 0.000 -1.794) 4.931 2.533 ( -4.697 0.000 -2.523) 5.332 2.649 ( -3.187 0.000 -10.043) 10.536 2.687 ( -3.171 0.000 5.756) 6.572 2.728 ( 0.325 0.000 3.489) 3.504 2.827 ( -2.983 0.000 1.477) 3.329 2.881 ( 4.146 0.000 -5.391) 6.801 2.920 ( -0.852 0.000 -5.447) 5.513 2.991 ( 10.538 0.000 -6.001) 12.127 3.048 ( 1.737 0.000 -1.668) 2.408 3.088 ( 5.035 0.000 -6.224) 8.006 3.199 ( 3.109 0.000 -13.498) 13.852 3.275 ( -2.138 0.000 1.843) 2.823 3.307 ( 10.135 0.000 1.778) 10.290 3.389 ( -1.386 0.000 1.861) 2.320 3.390 ( 1.838 0.000 5.738) 6.025 3.558 ( 3.626 0.000 -4.157) 5.516 3.572 ( 1.758 0.000 2.506) 3.061 3.636 ( 4.357 0.000 7.915) 9.035 3.640 ( 5.204 0.000 -4.432) 6.835 3.659 ( -1.842 0.000 4.528) 4.888 3.723 ( 0.789 0.000 -0.337) 0.858 3.752 ( 2.730 0.000 -0.646) 2.805 3.818 ( 1.421 0.000 2.479) 2.857 3.849 ( 3.933 0.000 -0.232) 3.940 3.935 ( -3.443 0.000 -0.617) 3.498 3.963 ( -2.610 0.000 5.570) 6.151 4.011 ( 4.435 0.000 -2.183) 4.943 4.069 ( 0.585 0.000 -4.865) 4.900 4.166 ( -5.002 0.000 2.119) 5.433 4.242 ( -4.355 0.000 -6.743) 8.027 4.280 ( -3.291 0.000 -6.612) 7.385 4.345 ( -4.797 0.000 -3.734) 6.079 4.374 ( -6.436 0.000 -1.200) 6.547 4.502 ( -5.901 0.000 -6.172) 8.539 4.556 ( 10.371 0.000 1.282) 10.450 4.571 ( 1.443 0.000 5.094) 5.295 4.632 ( -3.866 0.000 -1.970) 4.339 4.745 ( -1.961 0.000 6.007) 6.319 4.830 ( 4.231 0.000 3.626) 5.572 4.853 ( 1.132 0.000 4.606) 4.743 4.988 ( -4.327 0.000 10.276) 11.150 5.022 ( 7.686 0.000 -0.468) 7.700 5.125 ( 4.662 0.000 -6.174) 7.737 5.131 ( -2.413 0.000 4.692) 5.277 5.347 ( 0.356 0.000 10.620) 10.626 5.361 ( 5.951 0.000 8.287) 10.203 5.422 ( -4.968 0.000 0.367) 4.981 5.428 ( 5.400 0.000 -5.404) 7.639 5.650 ( 2.011 0.000 -4.572) 4.995 5.724 ( -5.184 0.000 -1.297) 5.344 5.749 ( -0.219 0.000 -5.738) 5.743 5.795 ( -3.231 0.000 -1.569) 3.592 6.208 ( -14.123 0.000 -2.468) 14.337 6.223 ( -5.244 0.000 -4.330) 6.801 6.438 ( 3.162 0.000 2.308) 3.914 6.486 ( 3.916 0.000 0.982) 4.038 6.612 ( -0.410 0.000 3.589) 3.612 6.698 ( -3.296 0.000 -0.571) 3.345 6.710 ( 2.229 0.000 -8.775) 9.054 6.824 ( -7.399 0.000 -2.059) 7.680 6.893 ( -5.251 0.000 -1.583) 5.485 7.009 ( -11.904 0.000 -1.023) 11.948 7.100 ( 6.984 0.000 -12.650) 14.450 7.155 ( -2.400 0.000 1.647) 2.911 7.320 ( 2.465 0.000 2.172) 3.285 7.392 ( -1.152 0.000 -1.246) 1.697 7.501 ( 5.191 0.000 2.611) 5.810 7.750 ( 2.329 0.000 6.339) 6.753 7.833 ( 5.138 0.000 3.437) 6.182 7.897 ( 0.324 0.000 -0.697) 0.769 7.992 ( 0.887 0.000 -1.602) 1.831 8.043 ( 2.855 0.000 -0.045) 2.855 8.058 ( -0.110 0.000 5.285) 5.286 8.110 ( -3.407 0.000 -3.425) 4.831 8.285 ( 1.113 0.000 -2.155) 2.426 8.380 ( -2.956 0.000 0.368) 2.979 8.459 ( 0.469 0.000 -0.694) 0.838 8.499 ( 2.588 0.000 -2.546) 3.630 8.638 ( 8.822 0.000 -12.317) 15.151 8.702 ( -7.316 0.000 9.588) 12.061 8.787 ( 4.212 0.000 -6.717) 7.929 8.952 ( -6.513 0.000 6.740) 9.373 9.234 ( -1.417 0.000 2.132) 2.560 9.305 ( -1.993 0.000 -1.832) 2.707 9.445 ( 6.947 0.000 -0.362) 6.957 9.482 ( 1.739 0.000 3.208) 3.649 9.703 ( 1.274 0.000 3.620) 3.838 9.721 ( 0.790 0.000 3.496) 3.584 9.774 ( 1.829 0.000 -0.856) 2.019 9.806 ( 2.785 0.000 0.052) 2.785 10.002 ( 4.589 0.000 -0.679) 4.639 10.072 ( 3.484 0.000 2.651) 4.378 10.242 ( -8.097 0.000 0.024) 8.098 10.264 ( -4.560 0.000 3.842) 5.962 10.372 ( -1.829 0.000 -4.581) 4.932 10.399 ( -2.773 0.000 0.731) 2.868 10.426 ( -0.593 0.000 -0.539) 0.801 10.451 ( 0.790 0.000 -4.383) 4.453 10.671 ( -2.101 0.000 -1.115) 2.379 10.824 ( -4.005 0.000 0.006) 4.005 10.927 ( -1.397 0.000 -2.359) 2.742 10.959 ( -6.391 0.000 -0.467) 6.408 11.415 ( -4.957 0.000 1.149) 5.088 11.492 ( 4.399 0.000 -7.535) 8.725 11.623 ( -2.870 0.000 -1.272) 3.140 11.824 ( -3.768 0.000 8.088) 8.922 11.984 ( -10.444 0.000 1.787) 10.596 12.009 ( -0.788 0.000 -2.756) 2.866 12.369 ( 8.151 0.000 -5.094) 9.612 12.395 ( 1.518 0.000 7.331) 7.486 12.666 ( 3.143 0.000 0.678) 3.215 12.685 ( 2.962 0.000 -0.329) 2.980 12.740 ( 0.291 0.000 9.968) 9.972 12.856 ( 6.074 0.000 -10.220) 11.889 12.878 ( -0.238 0.000 -0.509) 0.562 12.933 ( -1.352 0.000 1.494) 2.015 13.321 ( 2.446 0.000 4.079) 4.756 13.378 ( 2.829 0.000 1.204) 3.074 13.539 ( 0.359 0.000 -1.529) 1.571 13.576 ( -2.342 0.000 -8.051) 8.385 13.852 ( 9.241 0.000 0.688) 9.266 14.188 ( -7.564 0.000 1.064) 7.638 14.363 ( 2.904 0.000 4.146) 5.062 14.676 ( -4.117 0.000 -4.863) 6.372 14.872 ( 5.465 0.000 11.115) 12.386 15.051 ( 5.111 0.000 -1.177) 5.245 15.391 ( 3.425 0.000 2.043) 3.988 15.446 ( -0.746 0.000 -1.037) 1.277 15.495 ( -1.854 0.000 -2.813) 3.369 15.541 ( -3.348 0.000 -9.501) 10.073 16.073 ( 1.490 0.000 0.628) 1.617 16.077 ( 0.787 0.000 0.818) 1.135 16.332 ( 0.043 0.000 9.329) 9.330 16.418 ( 4.517 0.000 -1.040) 4.636 16.749 ( 1.260 0.000 -2.769) 3.042 16.766 ( -2.460 0.000 2.087) 3.226 17.657 ( 0.759 0.000 -1.391) 1.584 17.668 ( -1.153 0.000 1.142) 1.622 20.914 ( 1.907 0.000 -0.698) 2.031 20.951 ( -0.319 0.000 0.802) 0.862 21.315 ( -0.322 0.000 6.914) 6.922 21.366 ( 6.192 0.000 -7.976) 10.097 21.902 ( 0.299 0.000 -1.124) 1.163 21.902 ( -0.188 0.000 -0.394) 0.437 21.992 ( 1.567 0.000 0.345) 1.604 22.046 ( -0.277 0.000 0.706) 0.758 22.325 ( -1.586 0.000 6.765) 6.948 22.379 ( 4.199 0.000 -4.541) 6.184 22.675 ( -0.726 0.000 8.251) 8.283 22.764 ( 4.662 0.000 -2.588) 5.333 22.889 ( -1.424 0.000 0.432) 1.488 22.983 ( -3.258 0.000 -3.033) 4.451 23.025 ( -4.311 0.000 -0.477) 4.337 23.088 ( -2.270 0.000 -6.420) 6.809 23.540 ( 4.189 0.000 0.796) 4.264 23.720 ( -8.733 0.000 4.830) 9.980 23.885 ( -1.917 0.000 -0.061) 1.917 23.891 ( -1.342 0.000 -3.296) 3.559 24.016 ( 0.399 0.000 -0.490) 0.632 24.047 ( 0.656 0.000 -2.068) 2.169 24.190 ( -0.572 0.000 4.194) 4.233 24.272 ( 1.244 0.000 -0.075) 1.246 24.556 ( 2.402 0.000 4.473) 5.077 24.649 ( 0.904 0.000 2.195) 2.374 24.652 ( 2.670 0.000 -3.709) 4.570 24.674 ( 1.171 0.000 -2.563) 2.818 24.791 ( 2.524 0.000 2.713) 3.706 24.815 ( -1.783 0.000 6.558) 6.796 25.138 ( 0.600 0.000 -13.381) 13.395 25.217 ( -9.725 0.000 3.753) 10.424 ======================= Grid point 137 (68/80) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -22.568 0.000 4.365) 22.986 1.310 ( 22.568 0.000 -4.365) 22.986 1.554 ( 17.463 0.000 -16.048) 23.717 1.554 ( -17.463 0.000 16.048) 23.717 2.042 ( 3.922 0.000 -1.411) 4.169 2.042 ( -3.922 0.000 1.411) 4.169 2.143 ( -0.138 0.000 -2.194) 2.198 2.143 ( 0.138 0.000 2.194) 2.198 2.243 ( -4.720 0.000 -5.875) 7.536 2.243 ( 4.720 0.000 5.875) 7.536 2.475 ( -1.939 0.000 -1.832) 2.667 2.475 ( 1.939 0.000 1.832) 2.667 2.737 ( -0.156 0.000 -3.711) 3.714 2.737 ( 0.156 0.000 3.711) 3.714 2.827 ( -1.311 0.000 -4.214) 4.413 2.827 ( 1.311 0.000 4.214) 4.413 2.907 ( -4.839 0.000 -0.428) 4.858 2.907 ( 4.839 0.000 0.428) 4.858 3.167 ( -2.720 0.000 -0.953) 2.882 3.167 ( 2.720 0.000 0.953) 2.882 3.229 ( -6.055 0.000 0.684) 6.093 3.229 ( 6.055 0.000 -0.684) 6.093 3.402 ( -4.948 0.000 0.543) 4.978 3.402 ( 4.948 0.000 -0.543) 4.978 3.456 ( -8.552 0.000 0.853) 8.595 3.456 ( 8.552 0.000 -0.853) 8.595 3.638 ( 1.559 0.000 -4.359) 4.629 3.638 ( -1.559 0.000 4.359) 4.629 3.716 ( 1.677 0.000 -1.410) 2.191 3.716 ( -1.677 0.000 1.410) 2.191 3.809 ( 0.835 0.000 -1.781) 1.967 3.809 ( -0.835 0.000 1.781) 1.967 3.862 ( -1.131 0.000 -4.768) 4.900 3.862 ( 1.131 0.000 4.768) 4.900 3.952 ( -1.541 0.000 -1.517) 2.162 3.952 ( 1.541 0.000 1.517) 2.162 4.024 ( 6.910 0.000 -4.218) 8.096 4.024 ( -6.910 0.000 4.218) 8.096 4.081 ( 3.976 0.000 -2.786) 4.855 4.081 ( -3.976 0.000 2.786) 4.855 4.245 ( 8.802 0.000 -6.479) 10.930 4.245 ( -8.802 0.000 6.479) 10.930 4.336 ( -3.573 0.000 -1.248) 3.784 4.336 ( 3.573 0.000 1.248) 3.784 4.605 ( 0.206 0.000 -0.256) 0.328 4.605 ( -0.206 0.000 0.256) 0.328 4.673 ( -3.301 0.000 -0.721) 3.378 4.673 ( 3.301 0.000 0.721) 3.378 4.878 ( -1.320 0.000 0.279) 1.349 4.878 ( 1.320 0.000 -0.279) 1.349 5.104 ( 0.112 0.000 -0.120) 0.164 5.104 ( -0.112 0.000 0.120) 0.164 5.168 ( 7.278 0.000 -7.261) 10.281 5.168 ( -7.278 0.000 7.261) 10.281 5.433 ( 2.818 0.000 -7.130) 7.667 5.433 ( -2.818 0.000 7.130) 7.667 5.464 ( -5.032 0.000 -13.778) 14.668 5.464 ( 5.032 0.000 13.778) 14.668 5.601 ( -0.533 0.000 -5.728) 5.753 5.601 ( 0.533 0.000 5.728) 5.753 5.729 ( -1.677 0.000 -1.688) 2.380 5.729 ( 1.677 0.000 1.688) 2.380 6.091 ( -0.569 0.000 -5.127) 5.159 6.091 ( 0.569 0.000 5.127) 5.159 6.533 ( -1.339 0.000 -1.687) 2.153 6.533 ( 1.339 0.000 1.687) 2.153 6.634 ( 3.789 0.000 -1.854) 4.218 6.634 ( -3.789 0.000 1.854) 4.218 6.702 ( -1.360 0.000 -1.699) 2.176 6.702 ( 1.360 0.000 1.699) 2.176 6.862 ( -2.633 0.000 -0.637) 2.709 6.862 ( 2.633 0.000 0.637) 2.709 7.119 ( 5.613 0.000 -5.694) 7.996 7.119 ( -5.613 0.000 5.694) 7.996 7.361 ( -0.639 0.000 -1.948) 2.050 7.361 ( 0.639 0.000 1.948) 2.050 7.706 ( -10.877 0.000 -5.345) 12.120 7.706 ( 10.877 0.000 5.345) 12.120 7.888 ( -1.041 0.000 -5.751) 5.844 7.888 ( 1.041 0.000 5.751) 5.844 7.996 ( -1.605 0.000 -6.453) 6.649 7.996 ( 1.605 0.000 6.453) 6.649 8.089 ( -1.028 0.000 -0.266) 1.062 8.089 ( 1.028 0.000 0.266) 1.062 8.331 ( -1.335 0.000 -3.168) 3.438 8.331 ( 1.335 0.000 3.168) 3.438 8.496 ( -1.339 0.000 -1.430) 1.959 8.496 ( 1.339 0.000 1.430) 1.959 8.671 ( 8.835 0.000 -11.418) 14.437 8.671 ( -8.835 0.000 11.418) 14.437 8.851 ( 10.247 0.000 -4.964) 11.385 8.851 ( -10.247 0.000 4.964) 11.385 9.255 ( -0.922 0.000 -2.361) 2.535 9.255 ( 0.922 0.000 2.361) 2.535 9.499 ( 1.043 0.000 -0.456) 1.139 9.499 ( -1.043 0.000 0.456) 1.139 9.745 ( 4.181 0.000 -5.856) 7.195 9.745 ( -4.181 0.000 5.856) 7.195 9.807 ( -0.008 0.000 -3.012) 3.012 9.807 ( 0.008 0.000 3.012) 3.012 10.087 ( 6.360 0.000 -2.649) 6.889 10.087 ( -6.360 0.000 2.649) 6.889 10.217 ( -6.041 0.000 1.400) 6.201 10.217 ( 6.041 0.000 -1.400) 6.201 10.339 ( 4.512 0.000 -2.066) 4.963 10.339 ( -4.512 0.000 2.066) 4.963 10.431 ( 0.817 0.000 -2.389) 2.525 10.431 ( -0.817 0.000 2.389) 2.525 10.717 ( -6.232 0.000 -1.021) 6.315 10.717 ( 6.232 0.000 1.021) 6.315 10.899 ( 1.042 0.000 -1.398) 1.743 10.899 ( -1.042 0.000 1.398) 1.743 11.414 ( -0.856 0.000 -5.308) 5.376 11.414 ( 0.856 0.000 5.308) 5.376 11.717 ( -10.908 0.000 1.811) 11.058 11.717 ( 10.908 0.000 -1.811) 11.058 11.958 ( -0.030 0.000 -4.990) 4.990 11.958 ( 0.030 0.000 4.990) 4.990 12.429 ( 5.197 0.000 -6.384) 8.232 12.429 ( -5.197 0.000 6.384) 8.232 12.711 ( -0.399 0.000 -0.195) 0.444 12.711 ( 0.399 0.000 0.195) 0.444 12.808 ( 2.902 0.000 -10.102) 10.511 12.808 ( -2.902 0.000 10.102) 10.511 12.909 ( -3.199 0.000 0.343) 3.218 12.909 ( 3.199 0.000 -0.343) 3.218 13.403 ( -0.854 0.000 -3.435) 3.539 13.403 ( 0.854 0.000 3.435) 3.539 13.509 ( 1.870 0.000 -1.516) 2.407 13.509 ( -1.870 0.000 1.516) 2.407 14.025 ( -9.751 0.000 -0.993) 9.801 14.025 ( 9.751 0.000 0.993) 9.801 14.516 ( -6.337 0.000 -6.810) 9.302 14.516 ( 6.337 0.000 6.810) 9.302 15.062 ( -0.739 0.000 -8.901) 8.932 15.062 ( 0.739 0.000 8.901) 8.932 15.418 ( -0.775 0.000 -1.644) 1.817 15.418 ( 0.775 0.000 1.644) 1.817 15.458 ( -1.590 0.000 -1.101) 1.934 15.458 ( 1.590 0.000 1.101) 1.934 16.088 ( 0.230 0.000 -0.304) 0.381 16.088 ( -0.230 0.000 0.304) 0.381 16.420 ( -0.244 0.000 -5.425) 5.430 16.420 ( 0.244 0.000 5.425) 5.430 16.749 ( 1.817 0.000 -2.163) 2.825 16.749 ( -1.817 0.000 2.163) 2.825 17.660 ( 1.103 0.000 -1.170) 1.608 17.660 ( -1.103 0.000 1.170) 1.608 20.940 ( -1.560 0.000 0.445) 1.622 20.940 ( 1.560 0.000 -0.445) 1.622 21.366 ( 3.683 0.000 -8.740) 9.484 21.366 ( -3.683 0.000 8.740) 9.484 21.899 ( 0.342 0.000 -0.529) 0.629 21.899 ( -0.342 0.000 0.529) 0.629 22.028 ( -1.801 0.000 -0.319) 1.829 22.028 ( 1.801 0.000 0.319) 1.829 22.368 ( 2.217 0.000 -7.278) 7.608 22.368 ( -2.217 0.000 7.278) 7.608 22.780 ( 0.795 0.000 -8.412) 8.450 22.780 ( -0.795 0.000 8.412) 8.450 22.886 ( -0.734 0.000 -3.499) 3.575 22.886 ( 0.734 0.000 3.499) 3.575 23.004 ( -0.308 0.000 -3.272) 3.287 23.004 ( 0.308 0.000 3.272) 3.287 23.619 ( -6.214 0.000 1.976) 6.520 23.619 ( 6.214 0.000 -1.976) 6.520 23.862 ( 0.639 0.000 -0.787) 1.014 23.862 ( -0.639 0.000 0.787) 1.014 24.029 ( -0.448 0.000 -1.284) 1.360 24.029 ( 0.448 0.000 1.284) 1.360 24.241 ( -1.052 0.000 -3.863) 4.003 24.241 ( 1.052 0.000 3.863) 4.003 24.628 ( -0.103 0.000 -4.516) 4.517 24.628 ( 0.103 0.000 4.516) 4.517 24.678 ( 1.855 0.000 -3.383) 3.858 24.678 ( -1.855 0.000 3.383) 3.858 24.842 ( 2.553 0.000 -2.978) 3.922 24.842 ( -2.553 0.000 2.978) 3.922 25.100 ( 9.580 0.000 -9.205) 13.285 25.100 ( -9.580 0.000 9.205) 13.285 ======================= Grid point 141 (69/80) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -2.259 1.299 -19.772) 19.943 1.299 ( 2.259 1.299 19.772) 19.943 1.639 ( 7.114 9.984 -21.211) 24.499 1.639 ( -7.114 9.984 21.211) 24.499 1.740 ( 4.657 4.601 -7.405) 9.883 1.740 ( -4.657 4.601 7.405) 9.883 2.125 ( -1.903 2.062 0.290) 2.821 2.125 ( 1.903 2.062 -0.290) 2.821 2.335 ( 0.796 -3.275 -1.402) 3.651 2.335 ( -0.796 -3.275 1.402) 3.651 2.553 ( -9.207 -0.007 -2.485) 9.537 2.553 ( 9.207 -0.007 2.485) 9.537 2.607 ( -3.754 1.247 -1.814) 4.351 2.607 ( 3.754 1.247 1.814) 4.351 2.802 ( -1.860 -7.678 -3.683) 8.717 2.802 ( 1.860 -7.678 3.683) 8.717 2.876 ( -4.146 -3.052 -2.458) 5.704 2.876 ( 4.146 -3.052 2.458) 5.704 3.118 ( -2.550 -2.255 -5.981) 6.881 3.118 ( 2.550 -2.255 5.981) 6.881 3.182 ( -2.914 -4.015 -2.754) 5.674 3.182 ( 2.914 -4.015 2.754) 5.674 3.335 ( -0.505 -0.089 -0.813) 0.961 3.335 ( 0.505 -0.089 0.813) 0.961 3.493 ( 1.455 3.984 -10.888) 11.685 3.493 ( -1.455 3.984 10.888) 11.685 3.539 ( -0.908 2.542 -7.903) 8.352 3.539 ( 0.908 2.542 7.903) 8.352 3.622 ( -1.855 -2.502 -1.366) 3.401 3.622 ( 1.855 -2.502 1.366) 3.401 3.764 ( -3.382 3.961 -1.696) 5.478 3.764 ( 3.382 3.961 1.696) 5.478 3.855 ( 2.334 2.252 -1.437) 3.548 3.855 ( -2.334 2.252 1.437) 3.548 3.958 ( -0.386 4.584 -3.142) 5.571 3.958 ( 0.386 4.584 3.142) 5.571 4.074 ( -1.801 7.849 -3.221) 8.673 4.074 ( 1.801 7.849 3.221) 8.673 4.225 ( -4.041 -1.349 -4.777) 6.401 4.225 ( 4.041 -1.349 4.777) 6.401 4.337 ( -4.269 -3.308 0.135) 5.402 4.337 ( 4.269 -3.308 -0.135) 5.402 4.467 ( -2.185 3.163 -3.395) 5.129 4.467 ( 2.185 3.163 3.395) 5.129 4.568 ( 3.948 2.732 -4.332) 6.466 4.568 ( -3.948 2.732 4.332) 6.466 4.655 ( -1.380 6.653 -4.485) 8.141 4.655 ( 1.380 6.653 4.485) 8.141 4.784 ( 1.866 1.726 -1.208) 2.814 4.784 ( -1.866 1.726 1.208) 2.814 4.889 ( -2.896 0.033 -2.653) 3.928 4.889 ( 2.896 0.033 2.653) 3.928 5.177 ( 2.594 0.787 -6.562) 7.100 5.177 ( -2.594 0.787 6.562) 7.100 5.324 ( 2.924 -4.013 -1.951) 5.335 5.324 ( -2.924 -4.013 1.951) 5.335 5.584 ( 4.386 4.473 -12.255) 13.763 5.584 ( -4.386 4.473 12.255) 13.763 5.599 ( -3.508 -4.321 -1.164) 5.686 5.599 ( 3.508 -4.321 1.164) 5.686 5.940 ( -1.093 4.251 -5.577) 7.097 5.940 ( 1.093 4.251 5.577) 7.097 6.364 ( -4.146 -1.587 -1.148) 4.586 6.364 ( 4.146 -1.587 1.148) 4.586 6.441 ( -5.258 -0.146 -2.986) 6.049 6.441 ( 5.258 -0.146 2.986) 6.049 6.587 ( -3.666 -8.264 -1.421) 9.152 6.587 ( 3.666 -8.264 1.421) 9.152 6.927 ( -10.424 1.356 -4.637) 11.489 6.927 ( 10.424 1.356 4.637) 11.489 6.995 ( 3.880 -6.338 -9.506) 12.066 6.995 ( -3.880 -6.338 9.506) 12.066 7.255 ( -2.912 -0.854 -2.310) 3.814 7.255 ( 2.912 -0.854 2.310) 3.814 7.378 ( -1.287 -6.608 -5.155) 8.479 7.378 ( 1.287 -6.608 5.155) 8.479 7.484 ( -3.295 -1.389 -5.618) 6.660 7.484 ( 3.295 -1.389 5.618) 6.660 7.724 ( 1.897 -3.868 -1.699) 4.631 7.724 ( -1.897 -3.868 1.699) 4.631 7.828 ( -1.189 3.677 -1.589) 4.179 7.828 ( 1.189 3.677 1.589) 4.179 8.148 ( 1.815 3.876 -2.807) 5.118 8.148 ( -1.815 3.876 2.807) 5.118 8.465 ( -0.864 -2.600 -0.416) 2.771 8.465 ( 0.864 -2.600 0.416) 2.771 8.514 ( -0.216 -4.335 -2.764) 5.145 8.514 ( 0.216 -4.335 2.764) 5.145 8.774 ( 3.711 3.438 -8.350) 9.763 8.774 ( -3.711 3.438 8.350) 9.763 8.829 ( 0.969 1.894 -7.009) 7.324 8.829 ( -0.969 1.894 7.009) 7.324 9.151 ( 0.980 1.868 -5.392) 5.790 9.151 ( -0.980 1.868 5.392) 5.790 9.302 ( -3.516 -2.700 -1.819) 4.792 9.302 ( 3.516 -2.700 1.819) 4.792 9.645 ( 2.521 -2.039 -3.218) 4.568 9.645 ( -2.521 -2.039 3.218) 4.568 9.730 ( 1.817 0.076 -0.988) 2.070 9.730 ( -1.817 0.076 0.988) 2.070 9.952 ( -1.035 -0.070 -0.398) 1.112 9.952 ( 1.035 -0.070 0.398) 1.112 10.350 ( 0.812 -0.492 -3.137) 3.277 10.350 ( -0.812 -0.492 3.137) 3.277 10.444 ( 1.899 -0.412 -3.090) 3.650 10.444 ( -1.899 -0.412 3.090) 3.650 10.553 ( -4.861 -2.000 -0.505) 5.280 10.553 ( 4.861 -2.000 0.505) 5.280 10.939 ( -1.184 3.071 -2.171) 3.943 10.939 ( 1.184 3.071 2.171) 3.943 11.089 ( -2.938 8.488 -4.775) 10.173 11.089 ( 2.938 8.488 4.775) 10.173 11.550 ( -3.304 -0.553 -4.614) 5.702 11.550 ( 3.304 -0.553 4.614) 5.702 11.709 ( -9.114 -8.417 0.041) 12.406 11.709 ( 9.114 -8.417 -0.041) 12.406 12.069 ( -5.443 4.805 -1.537) 7.422 12.069 ( 5.443 4.805 1.537) 7.422 12.326 ( -2.357 -2.715 -5.692) 6.733 12.326 ( 2.357 -2.715 5.692) 6.733 12.438 ( -5.127 -4.129 -1.943) 6.864 12.438 ( 5.127 -4.129 1.943) 6.864 12.687 ( 3.759 0.639 -3.308) 5.048 12.687 ( -3.759 0.639 3.308) 5.048 13.041 ( -1.929 5.641 -0.857) 6.023 13.041 ( 1.929 5.641 0.857) 6.023 13.309 ( -1.412 4.548 -2.520) 5.388 13.309 ( 1.412 4.548 2.520) 5.388 13.644 ( -2.788 6.779 -4.336) 8.516 13.644 ( 2.788 6.779 4.336) 8.516 13.951 ( -5.422 1.151 -11.509) 12.775 13.951 ( 5.422 1.151 11.509) 12.775 14.563 ( -6.922 -1.185 -2.276) 7.383 14.563 ( 6.922 -1.185 2.276) 7.383 14.884 ( -7.308 -1.311 -1.090) 7.505 14.884 ( 7.308 -1.311 1.090) 7.505 15.332 ( -2.802 0.345 -1.240) 3.083 15.332 ( 2.802 0.345 1.240) 3.083 15.684 ( -0.689 0.136 -1.215) 1.404 15.684 ( 0.689 0.136 1.215) 1.404 15.931 ( 1.624 -5.759 -3.600) 6.983 15.931 ( -1.624 -5.759 3.600) 6.983 16.267 ( 5.245 0.772 -5.896) 7.929 16.267 ( -5.245 0.772 5.896) 7.929 16.816 ( 1.168 3.512 -2.271) 4.342 16.816 ( -1.168 3.512 2.271) 4.342 17.664 ( 0.504 -0.548 -1.428) 1.610 17.664 ( -0.504 -0.548 1.428) 1.610 20.925 ( -0.308 1.405 -1.673) 2.206 20.925 ( 0.308 1.405 1.673) 2.206 21.240 ( 2.856 -3.339 -3.456) 5.590 21.240 ( -2.856 -3.339 3.456) 5.590 21.940 ( -0.047 2.023 -0.576) 2.104 21.940 ( 0.047 2.023 0.576) 2.104 22.032 ( -0.096 3.211 -2.085) 3.829 22.032 ( 0.096 3.211 2.085) 3.829 22.293 ( 0.112 0.159 -1.903) 1.913 22.293 ( -0.112 0.159 1.903) 1.913 22.689 ( 2.901 1.304 -1.817) 3.663 22.689 ( -2.901 1.304 1.817) 3.663 22.950 ( -1.272 -4.069 -4.211) 5.992 22.950 ( 1.272 -4.069 4.211) 5.992 23.226 ( -0.312 -2.105 -1.425) 2.561 23.226 ( 0.312 -2.105 1.425) 2.561 23.407 ( -3.405 -4.737 -3.132) 6.621 23.407 ( 3.405 -4.737 3.132) 6.621 24.008 ( 3.067 1.013 -2.807) 4.279 24.008 ( -3.067 1.013 2.807) 4.279 24.051 ( -0.310 0.619 -3.108) 3.184 24.051 ( 0.310 0.619 3.108) 3.184 24.201 ( 0.539 1.870 -1.500) 2.457 24.201 ( -0.539 1.870 1.500) 2.457 24.572 ( -1.334 0.485 -3.130) 3.437 24.572 ( 1.334 0.485 3.130) 3.437 24.662 ( 1.398 0.648 -0.903) 1.786 24.662 ( -1.398 0.648 0.903) 1.786 24.762 ( 0.055 1.956 -3.612) 4.108 24.762 ( -0.055 1.956 3.612) 4.108 25.324 ( 1.580 -2.975 -4.452) 5.583 25.324 ( -1.580 -2.975 4.452) 5.583 ======================= Grid point 143 (70/80) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 5.464 7.876 -11.443) 14.927 1.496 ( 2.203 8.515 -4.459) 9.861 1.612 ( 7.696 4.300 1.547) 8.950 1.745 ( 0.317 5.477 8.772) 10.346 1.768 ( -0.923 4.788 12.164) 13.105 1.831 ( 3.034 2.825 9.517) 10.381 2.064 ( -11.378 0.905 -0.412) 11.421 2.170 ( 4.087 -0.994 -2.069) 4.687 2.233 ( -2.925 5.799 -1.190) 6.603 2.292 ( -2.056 0.171 -2.717) 3.411 2.489 ( 2.585 -6.910 0.841) 7.426 2.582 ( 2.380 -0.904 -2.620) 3.653 2.672 ( 1.781 -2.322 4.179) 5.102 2.756 ( 1.618 -7.127 -3.629) 8.160 2.771 ( 4.931 2.326 1.725) 5.718 2.786 ( -3.823 -3.866 0.201) 5.441 2.873 ( 3.867 -2.464 2.515) 5.230 2.947 ( 5.350 -4.496 -7.100) 9.963 3.057 ( 0.348 -1.494 -2.486) 2.922 3.149 ( 1.397 3.234 -0.696) 3.591 3.186 ( -0.083 -2.131 0.405) 2.170 3.252 ( 2.300 -3.167 -2.019) 4.404 3.316 ( 1.443 0.195 -1.472) 2.071 3.350 ( 2.575 -1.212 3.175) 4.264 3.379 ( 1.305 2.793 -10.124) 10.583 3.443 ( -0.440 2.091 -2.847) 3.560 3.529 ( -2.184 0.046 1.044) 2.421 3.574 ( 0.208 -0.073 -2.336) 2.346 3.635 ( 2.409 0.538 -0.321) 2.489 3.670 ( -3.387 0.514 0.974) 3.561 3.720 ( 3.177 3.746 5.152) 7.118 3.799 ( 3.231 3.538 -1.212) 4.942 3.827 ( -1.227 1.100 -2.289) 2.820 3.861 ( -1.912 3.901 0.284) 4.354 3.985 ( 4.233 6.751 -2.260) 8.283 4.003 ( 0.349 3.383 2.732) 4.362 4.084 ( -4.674 2.879 1.829) 5.786 4.108 ( -4.762 -3.651 -0.613) 6.031 4.132 ( 3.914 5.308 3.955) 7.690 4.288 ( 8.610 -0.033 -0.175) 8.612 4.375 ( -0.042 0.355 0.943) 1.009 4.413 ( 4.066 -0.510 -6.953) 8.071 4.463 ( 2.187 3.383 0.605) 4.073 4.509 ( -5.181 4.836 -0.335) 7.095 4.520 ( 2.666 4.649 4.846) 7.225 4.590 ( -0.246 3.317 -0.506) 3.365 4.629 ( -1.480 4.786 1.984) 5.388 4.652 ( 4.558 -0.719 -1.393) 4.820 4.757 ( -0.547 -0.614 3.188) 3.293 4.815 ( 2.470 1.912 -0.962) 3.269 4.976 ( 6.472 5.445 4.326) 9.500 5.064 ( 5.355 -0.300 7.091) 8.890 5.130 ( -0.294 0.367 -2.348) 2.395 5.184 ( -1.499 -1.846 2.177) 3.224 5.259 ( -8.971 -1.150 3.422) 9.671 5.311 ( -2.627 2.748 3.251) 5.002 5.488 ( -1.486 -0.094 -9.089) 9.210 5.534 ( -0.152 1.787 -5.956) 6.220 5.600 ( -3.110 0.572 4.104) 5.181 5.667 ( 2.628 -4.821 1.048) 5.590 5.841 ( -3.984 3.237 -2.072) 5.535 5.949 ( -4.578 4.863 -1.467) 6.838 6.228 ( -7.712 -4.791 0.306) 9.084 6.353 ( -1.994 -2.202 1.928) 3.541 6.415 ( -0.233 -3.680 -1.991) 4.191 6.488 ( -4.882 -7.029 -3.426) 9.218 6.539 ( 1.305 0.556 1.891) 2.364 6.643 ( 1.538 -7.769 -1.577) 8.075 6.710 ( -5.465 -2.956 -4.050) 7.416 6.916 ( -5.058 -3.154 -0.765) 6.010 7.012 ( 2.532 -4.425 -5.668) 7.623 7.096 ( -8.708 -4.558 -5.688) 11.356 7.160 ( 5.128 3.406 6.304) 8.811 7.210 ( -6.248 -2.017 -3.884) 7.628 7.281 ( 0.989 -1.042 -2.283) 2.697 7.347 ( -3.118 -5.193 -1.544) 6.251 7.488 ( 2.453 1.839 -0.202) 3.073 7.641 ( 6.138 -6.340 3.354) 9.440 7.701 ( -0.284 -0.777 1.326) 1.563 7.818 ( 4.693 -3.564 1.756) 6.149 7.841 ( 1.093 1.623 6.853) 7.127 7.931 ( 6.152 1.382 2.557) 6.804 8.131 ( -0.299 4.698 0.913) 4.796 8.169 ( 1.532 1.242 -3.488) 4.007 8.355 ( -5.076 -2.752 -6.381) 8.606 8.440 ( -2.374 -0.263 -1.191) 2.669 8.455 ( -1.488 -3.188 -2.130) 4.113 8.516 ( -0.469 -0.522 -0.891) 1.134 8.700 ( 3.635 4.099 -12.397) 13.553 8.759 ( -2.286 2.753 2.965) 4.647 8.813 ( 0.371 2.247 -1.667) 2.823 8.924 ( -0.106 0.662 8.064) 8.092 9.197 ( 0.835 -4.115 -2.412) 4.843 9.250 ( 2.653 -1.505 3.277) 4.477 9.324 ( 7.088 0.889 8.702) 11.258 9.387 ( 4.608 0.873 1.934) 5.073 9.602 ( -3.249 -3.382 1.271) 4.859 9.684 ( 1.851 -2.516 0.369) 3.145 9.731 ( 1.534 0.681 0.862) 1.887 9.766 ( 2.924 0.547 -1.103) 3.173 9.949 ( 0.808 -0.382 0.388) 0.974 9.995 ( 2.833 -0.191 1.219) 3.090 10.337 ( 0.152 -0.250 -2.848) 2.863 10.364 ( -2.548 0.011 1.460) 2.936 10.393 ( -5.289 0.532 3.116) 6.161 10.414 ( -1.287 -1.817 -4.084) 4.651 10.451 ( -4.822 0.136 0.155) 4.827 10.597 ( 0.748 0.741 -1.764) 2.054 10.836 ( -7.198 1.653 -0.473) 7.401 10.887 ( -7.367 4.642 -0.436) 8.718 11.000 ( -1.179 4.012 -2.876) 5.075 11.156 ( -2.202 9.405 1.046) 9.716 11.467 ( 1.510 -0.453 -4.669) 4.928 11.503 ( -8.697 -4.163 -2.455) 9.949 11.652 ( -1.351 -5.760 4.148) 7.226 11.762 ( -1.713 -5.817 -1.003) 6.146 11.977 ( -5.171 -0.122 2.686) 5.828 12.184 ( -2.317 2.076 0.645) 3.177 12.288 ( 4.581 -1.029 -1.890) 5.062 12.319 ( 1.958 2.540 2.217) 3.899 12.491 ( 6.194 -4.454 2.174) 7.933 12.545 ( 4.670 -5.055 0.600) 6.908 12.679 ( -1.783 -0.758 4.341) 4.753 12.728 ( 5.320 -0.663 -4.587) 7.056 12.992 ( -1.825 5.191 -1.694) 5.758 13.071 ( 0.286 5.182 1.199) 5.326 13.283 ( 0.626 3.373 -0.717) 3.505 13.375 ( 3.240 5.215 1.875) 6.419 13.596 ( 1.213 4.886 -2.568) 5.652 13.727 ( -2.916 3.036 -5.663) 7.056 13.811 ( 6.075 8.089 -0.499) 10.129 14.152 ( 4.139 1.051 9.522) 10.436 14.425 ( -6.226 0.192 -1.979) 6.536 14.685 ( 4.304 -1.965 1.997) 5.136 14.760 ( -4.276 -0.942 0.110) 4.380 14.976 ( 3.484 -1.783 -1.182) 4.088 15.321 ( 2.097 0.783 0.272) 2.255 15.407 ( 3.416 -0.624 1.101) 3.643 15.595 ( -4.148 0.546 -3.201) 5.268 15.678 ( -0.407 0.666 -6.130) 6.180 15.941 ( 2.085 -6.746 0.262) 7.066 15.963 ( 0.957 -6.370 1.681) 6.657 16.268 ( -2.923 0.468 7.926) 8.460 16.323 ( 6.313 -0.362 -3.361) 7.161 16.799 ( -1.088 3.669 0.703) 3.891 16.830 ( 0.583 3.855 -0.189) 3.903 17.657 ( 0.446 -0.458 -1.437) 1.573 17.667 ( -0.806 -0.571 1.239) 1.584 20.913 ( 0.889 1.316 -1.505) 2.188 20.950 ( 0.548 1.303 1.251) 1.888 21.233 ( -0.109 -2.898 2.128) 3.597 21.282 ( 4.625 -3.926 -3.336) 6.923 21.930 ( -0.424 2.070 0.015) 2.113 21.946 ( -0.011 2.826 0.027) 2.827 22.016 ( 0.700 3.585 -1.210) 3.848 22.062 ( 0.894 2.711 1.475) 3.213 22.281 ( -0.766 -1.030 2.281) 2.618 22.343 ( 2.986 0.891 0.790) 3.215 22.663 ( -2.676 0.913 3.025) 4.141 22.727 ( 3.585 1.239 -1.829) 4.211 22.887 ( -1.501 -3.715 -2.518) 4.732 22.996 ( -0.556 -3.421 2.318) 4.170 23.114 ( -5.837 -2.085 -2.761) 6.786 23.172 ( -2.073 -0.950 -5.808) 6.240 23.437 ( 3.156 -1.876 3.388) 4.995 23.559 ( 3.992 -8.759 7.084) 11.952 23.947 ( -5.253 0.618 1.900) 5.620 23.997 ( -0.898 1.360 -4.075) 4.388 24.052 ( 1.937 -0.072 -0.540) 2.013 24.086 ( 0.410 4.026 1.413) 4.287 24.180 ( -1.046 0.341 1.552) 1.902 24.215 ( 1.606 1.289 -1.352) 2.464 24.533 ( -0.064 1.265 -1.229) 1.765 24.628 ( 1.742 0.007 1.804) 2.508 24.645 ( -0.869 1.146 0.510) 1.525 24.677 ( 1.539 -0.041 -2.039) 2.555 24.738 ( -0.076 1.119 0.121) 1.128 24.800 ( -0.073 1.267 3.345) 3.578 25.254 ( -2.086 -2.439 -7.695) 8.337 25.297 ( -5.848 -2.269 3.341) 7.107 ======================= Grid point 144 (71/80) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 12.655 14.391 -6.445) 20.218 1.513 ( 10.683 6.848 -10.696) 16.596 1.630 ( -13.595 1.610 8.740) 16.242 1.806 ( -14.716 7.034 3.556) 16.694 1.863 ( 6.435 1.525 4.630) 8.073 1.946 ( 3.045 1.024 12.560) 12.964 2.026 ( 5.561 2.591 9.898) 11.645 2.159 ( -0.045 -0.624 -2.043) 2.137 2.263 ( 2.800 -0.600 1.023) 3.041 2.294 ( 3.926 7.605 -3.166) 9.126 2.498 ( -4.174 -4.970 -0.532) 6.512 2.531 ( -2.464 -3.948 -5.942) 7.548 2.683 ( 0.327 -0.181 0.343) 0.507 2.771 ( 1.200 -3.032 0.421) 3.288 2.798 ( -0.280 -2.722 4.249) 5.054 2.851 ( 2.187 1.296 -1.105) 2.772 2.920 ( -1.147 -6.960 -2.297) 7.418 2.931 ( 0.457 0.161 -6.414) 6.432 3.037 ( 4.594 0.002 1.171) 4.741 3.139 ( 2.962 3.710 -2.340) 5.293 3.221 ( 6.685 2.250 -8.041) 10.696 3.314 ( 2.833 1.663 -4.783) 5.803 3.316 ( 5.945 0.429 -0.725) 6.005 3.375 ( -0.017 -2.330 1.203) 2.623 3.426 ( 1.019 3.626 1.885) 4.211 3.466 ( 3.264 -3.051 -1.475) 4.705 3.511 ( -1.211 -1.602 1.857) 2.735 3.624 ( 6.868 -1.303 5.324) 8.787 3.633 ( 2.475 -2.095 -2.314) 3.984 3.676 ( 2.949 1.149 0.367) 3.186 3.776 ( 0.692 3.918 0.711) 4.042 3.830 ( 1.555 2.537 0.250) 2.986 3.844 ( 0.643 4.992 0.898) 5.113 3.896 ( 3.539 -0.023 2.462) 4.311 3.959 ( -3.329 0.392 -0.924) 3.477 4.018 ( -6.433 5.053 2.726) 8.622 4.035 ( 1.900 3.625 -1.442) 4.339 4.063 ( 1.399 3.100 -3.606) 4.957 4.192 ( -1.448 2.542 -1.635) 3.351 4.247 ( -3.268 0.268 -2.476) 4.109 4.326 ( -3.575 5.966 -6.565) 9.564 4.399 ( -4.211 1.440 -1.184) 4.605 4.430 ( -4.572 3.966 -1.512) 6.238 4.485 ( -8.072 0.789 -3.382) 8.788 4.566 ( 9.274 1.028 1.476) 9.446 4.617 ( 2.383 5.677 1.125) 6.259 4.680 ( 3.138 4.888 4.658) 7.446 4.778 ( 2.190 -2.040 5.170) 5.974 4.810 ( 2.350 -3.104 3.261) 5.079 4.877 ( 1.041 6.690 4.122) 7.926 5.026 ( -2.015 2.827 3.892) 5.215 5.094 ( -0.435 4.231 0.919) 4.352 5.144 ( -2.464 3.001 3.493) 5.223 5.162 ( 3.035 2.367 -3.771) 5.388 5.267 ( 4.953 -4.202 6.745) 9.365 5.368 ( -0.167 -2.483 -1.544) 2.929 5.418 ( 0.428 2.241 5.887) 6.314 5.488 ( 1.690 2.470 -3.316) 4.467 5.579 ( -0.173 -3.869 -2.356) 4.533 5.699 ( 1.423 -3.716 -2.942) 4.949 5.751 ( -5.369 2.204 -1.860) 6.094 5.836 ( -3.601 3.055 -2.760) 5.469 6.088 ( -8.627 -7.414 -1.799) 11.516 6.237 ( -8.808 -2.271 -4.886) 10.325 6.393 ( 2.187 -4.811 2.680) 5.926 6.465 ( 1.921 -3.750 0.066) 4.213 6.551 ( -1.096 -5.067 0.526) 5.211 6.620 ( 1.475 -6.027 -5.475) 8.275 6.646 ( -2.415 -5.758 0.331) 6.253 6.787 ( -8.969 -3.698 -2.784) 10.093 6.866 ( -5.650 -2.060 -0.090) 6.015 6.996 ( -2.785 -2.732 -6.997) 8.011 7.107 ( 1.558 1.290 -4.119) 4.589 7.209 ( -2.926 5.334 0.458) 6.101 7.313 ( 3.194 -0.703 -0.283) 3.283 7.341 ( 2.223 -2.947 1.395) 3.947 7.522 ( 2.062 1.129 2.610) 3.513 7.723 ( -0.134 -5.296 2.877) 6.029 7.786 ( 7.074 -1.071 0.522) 7.174 7.886 ( -0.118 -7.437 5.776) 9.418 7.947 ( 3.367 4.622 2.547) 6.259 8.036 ( 0.180 -2.139 2.877) 3.590 8.086 ( -2.326 0.346 -4.709) 5.264 8.141 ( 0.135 3.155 -5.296) 6.166 8.275 ( 0.604 -1.000 -0.331) 1.215 8.397 ( -0.887 0.531 -2.622) 2.819 8.432 ( 1.895 -0.832 1.503) 2.558 8.519 ( 1.562 1.676 -1.382) 2.675 8.673 ( 5.929 3.415 -9.371) 11.603 8.749 ( -5.178 3.999 5.467) 8.526 8.801 ( 3.933 1.646 -5.144) 6.681 8.954 ( -5.374 0.289 5.799) 7.912 9.190 ( 1.061 -3.001 0.838) 3.291 9.289 ( -1.376 -1.814 0.302) 2.297 9.471 ( 3.201 0.993 2.092) 3.951 9.503 ( 2.444 2.307 0.764) 3.447 9.606 ( 2.862 -5.113 4.801) 7.575 9.726 ( 0.895 -2.390 2.281) 3.423 9.768 ( 1.930 0.130 -0.541) 2.009 9.803 ( 1.826 -0.390 -0.270) 1.887 9.989 ( 3.347 -0.712 0.452) 3.451 10.070 ( 3.522 -0.518 2.268) 4.221 10.211 ( -7.796 -0.949 -1.107) 7.931 10.295 ( -4.848 -1.960 -1.993) 5.596 10.364 ( -0.154 3.062 -2.004) 3.663 10.407 ( 0.837 2.039 1.449) 2.638 10.414 ( -1.178 0.324 2.504) 2.786 10.554 ( -1.552 4.567 -4.069) 6.311 10.726 ( -3.061 2.307 -0.866) 3.929 10.787 ( -3.872 -0.745 -0.606) 3.990 10.940 ( -2.183 2.243 -2.126) 3.784 11.044 ( -9.007 6.220 -0.126) 10.947 11.383 ( -4.000 -2.731 1.264) 5.006 11.482 ( 2.098 -1.147 -6.618) 7.036 11.594 ( -0.397 -2.486 -0.397) 2.549 11.768 ( -1.136 -4.582 2.908) 5.545 11.920 ( -3.395 -3.827 1.232) 5.262 12.043 ( -9.319 2.481 0.627) 9.664 12.386 ( 7.249 0.138 -1.838) 7.480 12.449 ( 2.884 3.615 4.643) 6.553 12.580 ( 2.882 -5.620 0.890) 6.378 12.605 ( 2.263 -5.231 -0.900) 5.771 12.708 ( -1.562 -2.235 6.798) 7.325 12.776 ( 5.576 -2.674 -4.889) 7.883 12.953 ( -0.093 4.698 -1.435) 4.914 13.062 ( -2.353 5.010 -0.230) 5.540 13.323 ( 2.710 0.812 2.645) 3.873 13.445 ( 2.643 5.060 0.519) 5.733 13.583 ( -1.859 1.930 -4.708) 5.417 13.610 ( 1.148 5.042 -4.371) 6.771 13.956 ( 6.098 9.426 2.481) 11.498 14.207 ( -5.984 1.707 0.853) 6.281 14.384 ( 3.387 1.973 4.301) 5.820 14.686 ( -3.849 0.752 -3.776) 5.444 14.828 ( 5.850 -3.671 9.515) 11.757 15.027 ( 3.798 -2.332 -0.994) 4.566 15.369 ( 1.646 -1.314 0.441) 2.152 15.441 ( -0.295 -0.990 -0.663) 1.228 15.512 ( -0.775 1.716 -2.696) 3.288 15.569 ( -2.883 2.000 -7.503) 8.283 15.982 ( 1.884 -7.467 0.012) 7.701 15.990 ( 0.458 -7.119 1.087) 7.216 16.322 ( -0.901 -0.911 8.201) 8.300 16.386 ( 4.161 -2.654 -3.239) 5.903 16.797 ( -0.707 4.284 1.824) 4.709 16.828 ( 0.106 4.402 -1.316) 4.596 17.652 ( 0.703 -0.383 -1.254) 1.488 17.663 ( -1.051 -0.502 1.069) 1.581 20.925 ( 1.869 1.078 -0.889) 2.334 20.962 ( -0.376 1.068 0.646) 1.303 21.274 ( 0.826 -3.581 3.745) 5.247 21.317 ( 3.797 -4.270 -4.253) 7.123 21.927 ( -0.162 2.613 0.353) 2.641 21.940 ( -0.227 3.520 -0.529) 3.566 22.034 ( 1.991 3.578 0.038) 4.095 22.083 ( -0.025 2.867 0.747) 2.963 22.309 ( -0.305 -1.654 4.632) 4.928 22.383 ( 2.374 -0.171 -3.357) 4.115 22.686 ( -0.412 0.995 7.842) 7.916 22.773 ( 4.279 0.738 -2.664) 5.094 22.854 ( -1.220 -2.954 0.428) 3.224 22.967 ( -3.212 -1.792 -1.853) 4.118 23.016 ( -3.193 -0.531 -0.613) 3.294 23.074 ( -2.361 -1.207 -5.723) 6.308 23.521 ( 3.622 -1.521 1.114) 4.083 23.621 ( -2.660 -6.512 3.340) 7.787 23.886 ( -3.465 1.369 1.944) 4.203 23.933 ( -1.367 1.645 -4.052) 4.582 24.073 ( 0.378 2.597 0.490) 2.670 24.087 ( 0.334 3.970 -1.081) 4.128 24.187 ( -1.312 -0.061 3.449) 3.691 24.243 ( 1.526 -2.301 -1.159) 2.994 24.560 ( 1.861 0.626 3.110) 3.678 24.634 ( 0.541 -0.272 -1.449) 1.570 24.674 ( 1.469 0.508 -0.342) 1.591 24.676 ( 1.476 0.379 -1.495) 2.135 24.761 ( -0.308 -1.467 4.640) 4.876 24.826 ( 0.076 -0.135 1.521) 1.529 25.133 ( 0.875 -0.204 -10.923) 10.960 25.206 ( -8.529 -0.921 3.600) 9.304 ======================= Grid point 145 (72/80) ======================= q-point: (-0.50 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -3.164 8.571 -0.717) 9.165 1.414 ( 3.164 8.571 0.717) 9.165 1.627 ( 14.659 6.969 -12.517) 20.497 1.627 ( -14.659 6.969 12.517) 20.497 2.017 ( 0.857 -1.476 -5.441) 5.702 2.017 ( -0.857 -1.476 5.441) 5.702 2.158 ( 0.311 1.534 -3.853) 4.159 2.158 ( -0.311 1.534 3.853) 4.159 2.310 ( -1.065 3.833 -2.336) 4.614 2.310 ( 1.065 3.833 2.336) 4.614 2.427 ( -0.253 -4.136 -4.635) 6.218 2.427 ( 0.253 -4.136 4.635) 6.218 2.734 ( 1.049 0.522 -3.793) 3.970 2.734 ( -1.049 0.522 3.793) 3.970 2.840 ( 0.157 -1.661 -1.787) 2.444 2.840 ( -0.157 -1.661 1.787) 2.444 2.878 ( 3.803 0.304 -8.724) 9.521 2.878 ( -3.803 0.304 8.724) 9.521 3.185 ( -4.320 0.829 -4.605) 6.368 3.185 ( 4.320 0.829 4.605) 6.368 3.232 ( -4.475 0.938 -3.353) 5.670 3.232 ( 4.475 0.938 3.353) 5.670 3.371 ( -5.044 -3.682 1.392) 6.398 3.371 ( 5.044 -3.682 -1.392) 6.398 3.467 ( 1.239 -0.496 -4.332) 4.533 3.467 ( -1.239 -0.496 4.332) 4.533 3.648 ( -5.193 6.129 -1.209) 8.123 3.648 ( 5.193 6.129 1.209) 8.123 3.726 ( -8.614 -3.931 -0.269) 9.472 3.726 ( 8.614 -3.931 0.269) 9.472 3.788 ( -1.968 -1.832 -0.849) 2.820 3.788 ( 1.968 -1.832 0.849) 2.820 3.885 ( -2.201 1.139 0.050) 2.479 3.885 ( 2.201 1.139 -0.050) 2.479 3.946 ( -2.377 4.790 -5.728) 7.836 3.946 ( 2.377 4.790 5.728) 7.836 4.064 ( -3.404 2.047 -3.643) 5.390 4.064 ( 3.404 2.047 3.643) 5.390 4.142 ( 1.049 6.362 -4.376) 7.792 4.142 ( -1.049 6.362 4.376) 7.792 4.296 ( 7.486 4.090 -3.655) 9.281 4.296 ( -7.486 4.090 3.655) 9.281 4.386 ( 2.893 3.426 -3.147) 5.478 4.386 ( -2.893 3.426 3.147) 5.478 4.655 ( 1.309 2.673 -2.665) 3.995 4.655 ( -1.309 2.673 2.665) 3.995 4.767 ( -4.803 9.165 -3.642) 10.969 4.767 ( 4.803 9.165 3.642) 10.969 4.841 ( -0.087 -2.475 -1.963) 3.161 4.841 ( 0.087 -2.475 1.963) 3.161 5.122 ( 0.791 1.542 -0.977) 1.989 5.122 ( -0.791 1.542 0.977) 1.989 5.183 ( 4.414 0.337 -7.644) 8.834 5.183 ( -4.414 0.337 7.644) 8.834 5.360 ( 0.213 -4.679 -3.364) 5.766 5.360 ( -0.213 -4.679 3.364) 5.766 5.492 ( -3.817 -0.535 -9.976) 10.694 5.492 ( 3.817 -0.535 9.976) 10.694 5.565 ( -2.180 -0.337 -5.963) 6.358 5.565 ( 2.180 -0.337 5.963) 6.358 5.749 ( -2.194 0.763 -3.389) 4.108 5.749 ( 2.194 0.763 3.389) 4.108 6.065 ( -3.276 -2.392 -6.503) 7.665 6.065 ( 3.276 -2.392 6.503) 7.665 6.458 ( 1.209 -7.248 -4.459) 8.595 6.458 ( -1.209 -7.248 4.459) 8.595 6.586 ( -0.759 -7.300 -5.106) 8.941 6.586 ( 0.759 -7.300 5.106) 8.941 6.638 ( -2.735 -2.270 -2.472) 4.330 6.638 ( 2.735 -2.270 2.472) 4.330 6.873 ( -1.034 -0.380 -6.140) 6.238 6.873 ( 1.034 -0.380 6.140) 6.238 7.143 ( -2.659 3.549 0.234) 4.441 7.143 ( 2.659 3.549 -0.234) 4.441 7.355 ( 0.557 -0.722 -1.466) 1.726 7.355 ( -0.557 -0.722 1.466) 1.726 7.651 ( -5.698 -4.502 -4.695) 8.647 7.651 ( 5.698 -4.502 4.695) 8.647 7.893 ( -1.886 -1.123 -1.634) 2.736 7.893 ( 1.886 -1.123 1.634) 2.736 8.008 ( -0.136 -2.082 -2.819) 3.508 8.008 ( 0.136 -2.082 2.819) 3.508 8.067 ( 1.849 2.634 -8.289) 8.892 8.067 ( -1.849 2.634 8.289) 8.892 8.337 ( -2.403 -0.633 -3.631) 4.400 8.337 ( 2.403 -0.633 3.631) 4.400 8.506 ( -0.271 1.629 -4.347) 4.650 8.506 ( 0.271 1.629 4.347) 4.650 8.699 ( 6.165 2.704 -7.671) 10.206 8.699 ( -6.165 2.704 7.671) 10.206 8.871 ( 8.537 1.796 -3.778) 9.507 8.871 ( -8.537 1.796 3.778) 9.507 9.240 ( -1.738 -1.357 -1.895) 2.907 9.240 ( 1.738 -1.357 1.895) 2.907 9.506 ( 0.025 0.359 -0.811) 0.887 9.506 ( -0.025 0.359 0.811) 0.887 9.712 ( 0.399 -1.703 -5.557) 5.826 9.712 ( -0.399 -1.703 5.557) 5.826 9.801 ( -0.789 -1.165 -1.302) 1.917 9.801 ( 0.789 -1.165 1.302) 1.917 10.069 ( -1.478 -0.885 -1.944) 2.598 10.069 ( 1.478 -0.885 1.944) 2.598 10.187 ( -4.438 -2.634 -1.685) 5.429 10.187 ( 4.438 -2.634 1.685) 5.429 10.378 ( 2.695 3.056 -1.946) 4.515 10.378 ( -2.695 3.056 1.946) 4.515 10.480 ( -2.286 3.854 -3.494) 5.682 10.480 ( 2.286 3.854 3.494) 5.682 10.725 ( -1.921 -0.047 -0.503) 1.986 10.725 ( 1.921 -0.047 0.503) 1.986 10.928 ( -3.638 2.905 0.902) 4.742 10.928 ( 3.638 2.905 -0.902) 4.742 11.393 ( -1.367 -1.668 -4.648) 5.124 11.393 ( 1.367 -1.668 4.648) 5.124 11.695 ( -6.418 -2.677 -0.509) 6.973 11.695 ( 6.418 -2.677 0.509) 6.973 11.933 ( -3.315 -0.672 -1.154) 3.574 11.933 ( 3.315 -0.672 1.154) 3.574 12.466 ( 4.367 1.749 -3.288) 5.739 12.466 ( -4.367 1.749 3.288) 5.739 12.615 ( 0.762 -6.080 -1.900) 6.415 12.615 ( -0.762 -6.080 1.900) 6.415 12.766 ( 0.715 -2.118 -6.780) 7.139 12.766 ( -0.715 -2.118 6.780) 7.139 12.993 ( -2.099 4.329 -2.648) 5.492 12.993 ( 2.099 4.329 2.648) 5.492 13.413 ( -2.272 0.142 -4.946) 5.445 13.413 ( 2.272 0.142 4.946) 5.445 13.576 ( -1.869 6.329 -1.238) 6.714 13.576 ( 1.869 6.329 1.238) 6.714 14.079 ( -6.815 4.870 -1.160) 8.457 14.079 ( 6.815 4.870 1.160) 8.457 14.540 ( -6.280 2.095 -6.251) 9.105 14.540 ( 6.280 2.095 6.251) 9.105 15.013 ( -1.984 -4.053 -7.779) 8.993 15.013 ( 1.984 -4.053 7.779) 8.993 15.397 ( -1.471 -1.576 -2.846) 3.570 15.397 ( 1.471 -1.576 2.846) 3.570 15.498 ( 0.266 2.826 -1.062) 3.031 15.498 ( -0.266 2.826 1.062) 3.031 15.999 ( 0.500 -7.410 -0.645) 7.455 15.999 ( -0.500 -7.410 0.645) 7.455 16.383 ( 1.156 -2.772 -5.906) 6.626 16.383 ( -1.156 -2.772 5.906) 6.626 16.811 ( 0.447 4.678 -2.482) 5.314 16.811 ( -0.447 4.678 2.482) 5.314 17.655 ( 1.006 -0.405 -1.079) 1.530 17.655 ( -1.006 -0.405 1.079) 1.530 20.950 ( -0.452 0.939 -0.036) 1.043 20.950 ( 0.452 0.939 0.036) 1.043 21.316 ( 2.860 -4.342 -6.485) 8.312 21.316 ( -2.860 -4.342 6.485) 8.312 21.931 ( -0.016 3.233 -0.630) 3.293 21.931 ( 0.016 3.233 0.630) 3.293 22.071 ( -1.530 3.372 -0.385) 3.723 22.071 ( 1.530 3.372 0.385) 3.723 22.356 ( 1.238 -1.459 -6.300) 6.584 22.356 ( -1.238 -1.459 6.300) 6.584 22.784 ( 1.738 0.405 -8.483) 8.669 22.784 ( -1.738 0.405 8.483) 8.669 22.866 ( -1.970 -1.539 -3.420) 4.236 22.866 ( 1.970 -1.539 3.420) 4.236 23.001 ( -0.242 -0.235 -2.708) 2.729 23.001 ( 0.242 -0.235 2.708) 2.729 23.582 ( 0.892 -2.751 -1.186) 3.126 23.582 ( -0.892 -2.751 1.186) 3.126 23.882 ( 0.170 1.840 -3.144) 3.647 23.882 ( -0.170 1.840 3.144) 3.647 24.081 ( 0.764 3.830 -2.000) 4.387 24.081 ( -0.764 3.830 2.000) 4.387 24.220 ( 0.001 -1.863 -4.237) 4.628 24.220 ( -0.001 -1.863 4.237) 4.628 24.616 ( -0.136 -0.834 -3.311) 3.417 24.616 ( 0.136 -0.834 3.311) 3.417 24.683 ( 1.357 0.340 -1.622) 2.142 24.683 ( -1.357 0.340 1.622) 2.142 24.816 ( 1.030 -2.206 -5.148) 5.694 24.816 ( -1.030 -2.206 5.148) 5.694 25.110 ( 7.774 0.880 -7.961) 11.162 25.110 ( -7.774 0.880 7.961) 11.162 ======================= Grid point 149 (73/80) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -2.920 9.516 -12.229) 15.768 1.414 ( 2.920 9.516 12.229) 15.768 1.761 ( 4.332 3.335 -8.907) 10.451 1.761 ( -4.332 3.335 8.907) 10.451 1.883 ( 4.134 3.283 -6.786) 8.598 1.883 ( -4.134 3.283 6.786) 8.598 2.127 ( -1.314 -2.835 -4.014) 5.087 2.127 ( 1.314 -2.835 4.014) 5.087 2.273 ( -2.059 1.078 0.185) 2.332 2.273 ( 2.059 1.078 -0.185) 2.332 2.569 ( -5.226 0.097 -1.427) 5.419 2.569 ( 5.226 0.097 1.427) 5.419 2.607 ( -9.675 0.348 -5.352) 11.062 2.607 ( 9.675 0.348 5.352) 11.062 2.682 ( 0.031 -3.085 -1.680) 3.513 2.682 ( -0.031 -3.085 1.680) 3.513 2.861 ( -3.162 0.493 -4.467) 5.495 2.861 ( 3.162 0.493 4.467) 5.495 3.020 ( -2.023 -5.453 -3.241) 6.659 3.020 ( 2.023 -5.453 3.241) 6.659 3.089 ( -1.578 -4.206 -2.018) 4.925 3.089 ( 1.578 -4.206 2.018) 4.925 3.343 ( -0.931 0.071 -1.512) 1.777 3.343 ( 0.931 0.071 1.512) 1.777 3.502 ( 3.763 -4.569 -4.484) 7.426 3.502 ( -3.763 -4.569 4.484) 7.426 3.548 ( -3.189 0.096 -3.688) 4.877 3.548 ( 3.189 0.096 3.688) 4.877 3.685 ( -0.580 7.360 -7.876) 10.795 3.685 ( 0.580 7.360 7.876) 10.795 3.837 ( -0.357 -0.553 -3.166) 3.233 3.837 ( 0.357 -0.553 3.166) 3.233 3.890 ( -0.942 5.190 -1.511) 5.487 3.890 ( 0.942 5.190 1.511) 5.487 4.045 ( -0.945 1.522 -1.166) 2.137 4.045 ( 0.945 1.522 1.166) 2.137 4.156 ( -1.558 2.306 -2.176) 3.532 4.156 ( 1.558 2.306 2.176) 3.532 4.219 ( -4.964 -1.662 0.405) 5.250 4.219 ( 4.964 -1.662 -0.405) 5.250 4.388 ( -1.560 6.684 -2.858) 7.434 4.388 ( 1.560 6.684 2.858) 7.434 4.508 ( -0.730 1.904 -3.041) 3.661 4.508 ( 0.730 1.904 3.041) 3.661 4.644 ( 0.726 3.982 -6.511) 7.667 4.644 ( -0.726 3.982 6.511) 7.667 4.769 ( -1.814 0.890 -1.906) 2.778 4.769 ( 1.814 0.890 1.906) 2.778 4.829 ( -4.629 6.639 -5.752) 9.929 4.829 ( 4.629 6.639 5.752) 9.929 4.946 ( -5.466 4.058 -0.676) 6.841 4.946 ( 5.466 4.058 0.676) 6.841 5.130 ( 3.004 -4.313 -2.864) 5.986 5.130 ( -3.004 -4.313 2.864) 5.986 5.238 ( 4.173 -4.175 -2.914) 6.583 5.238 ( -4.173 -4.175 2.914) 6.583 5.485 ( -0.498 -4.721 -1.315) 4.925 5.485 ( 0.498 -4.721 1.315) 4.925 5.748 ( 4.288 8.547 -13.331) 16.406 5.748 ( -4.288 8.547 13.331) 16.406 6.063 ( -3.002 7.357 -3.282) 8.597 6.063 ( 3.002 7.357 3.282) 8.597 6.250 ( -0.384 -8.589 -4.302) 9.614 6.250 ( 0.384 -8.589 4.302) 9.614 6.401 ( -10.359 -2.432 -3.407) 11.172 6.401 ( 10.359 -2.432 3.407) 11.172 6.499 ( 0.741 -1.628 -5.304) 5.597 6.499 ( -0.741 -1.628 5.304) 5.597 6.789 ( 2.753 -10.045 -7.845) 13.039 6.789 ( -2.753 -10.045 7.845) 13.039 6.973 ( -8.140 0.908 -4.086) 9.153 6.973 ( 8.140 0.908 4.086) 9.153 7.167 ( -6.063 -8.061 -4.523) 11.055 7.167 ( 6.063 -8.061 4.523) 11.055 7.278 ( 1.285 -0.581 -2.643) 2.996 7.278 ( -1.285 -0.581 2.643) 2.996 7.488 ( 2.325 1.168 -2.479) 3.594 7.488 ( -2.325 1.168 2.479) 3.594 7.642 ( -4.568 -3.400 0.479) 5.715 7.642 ( 4.568 -3.400 -0.479) 5.715 7.928 ( -1.207 5.164 -1.147) 5.426 7.928 ( 1.207 5.164 1.147) 5.426 8.198 ( 2.775 -0.544 -3.037) 4.150 8.198 ( -2.775 -0.544 3.037) 4.150 8.381 ( -1.037 -2.195 -1.785) 3.014 8.381 ( 1.037 -2.195 1.785) 3.014 8.463 ( 1.076 -2.160 -3.994) 4.666 8.463 ( -1.076 -2.160 3.994) 4.666 8.838 ( 0.964 2.732 -3.328) 4.412 8.838 ( -0.964 2.732 3.328) 4.412 8.876 ( -2.247 2.023 -1.445) 3.351 8.876 ( 2.247 2.023 1.445) 3.351 9.190 ( -0.134 0.406 -3.745) 3.770 9.190 ( 0.134 0.406 3.745) 3.770 9.252 ( -3.406 -0.462 -1.623) 3.801 9.252 ( 3.406 -0.462 1.623) 3.801 9.590 ( -1.008 -2.518 -0.248) 2.724 9.590 ( 1.008 -2.518 0.248) 2.724 9.763 ( 1.547 2.229 -1.244) 2.984 9.763 ( -1.547 2.229 1.244) 2.984 9.951 ( -0.773 0.110 -0.443) 0.898 9.951 ( 0.773 0.110 0.443) 0.898 10.358 ( -0.538 0.020 -0.309) 0.620 10.358 ( 0.538 0.020 0.309) 0.620 10.434 ( 0.778 -0.198 -4.282) 4.356 10.434 ( -0.778 -0.198 4.282) 4.356 10.496 ( 2.430 -2.668 -1.718) 3.997 10.496 ( -2.430 -2.668 1.718) 3.997 11.026 ( 0.235 5.190 -2.959) 5.979 11.026 ( -0.235 5.190 2.959) 5.979 11.265 ( -3.519 7.694 -4.637) 9.648 11.265 ( 3.519 7.694 4.637) 9.648 11.480 ( 2.733 -5.692 -5.765) 8.550 11.480 ( -2.733 -5.692 5.765) 8.550 11.588 ( -1.492 -3.847 -4.639) 6.208 11.588 ( 1.492 -3.847 4.639) 6.208 12.132 ( -8.343 1.899 0.881) 8.602 12.132 ( 8.343 1.899 -0.881) 8.602 12.256 ( -6.140 -3.694 -2.820) 7.700 12.256 ( 6.140 -3.694 2.820) 7.700 12.398 ( -2.608 -0.366 -1.361) 2.965 12.398 ( 2.608 -0.366 1.361) 2.965 12.693 ( 2.078 0.542 -1.854) 2.837 12.693 ( -2.078 0.542 1.854) 2.837 13.084 ( 1.061 -0.470 -0.764) 1.389 13.084 ( -1.061 -0.470 0.764) 1.389 13.408 ( -1.181 3.813 -1.808) 4.382 13.408 ( 1.181 3.813 1.808) 4.382 13.825 ( -4.369 9.086 -8.039) 12.894 13.825 ( 4.369 9.086 8.039) 12.894 13.975 ( -5.463 0.784 -10.542) 11.899 13.975 ( 5.463 0.784 10.542) 11.899 14.547 ( -4.820 -0.063 -1.982) 5.212 14.547 ( 4.820 -0.063 1.982) 5.212 14.846 ( -4.752 -2.323 -1.351) 5.459 14.846 ( 4.752 -2.323 1.351) 5.459 15.343 ( -1.301 0.652 -0.557) 1.558 15.343 ( 1.301 0.652 0.557) 1.558 15.683 ( -1.454 -0.328 -0.938) 1.761 15.683 ( 1.454 -0.328 0.938) 1.761 15.821 ( 0.631 -4.292 -2.253) 4.888 15.821 ( -0.631 -4.292 2.253) 4.888 16.272 ( 2.890 -0.135 -3.256) 4.355 16.272 ( -2.890 -0.135 3.256) 4.355 16.888 ( 0.573 3.010 -0.790) 3.164 16.888 ( -0.573 3.010 0.790) 3.164 17.652 ( 0.336 -0.551 -0.921) 1.125 17.652 ( -0.336 -0.551 0.921) 1.125 20.962 ( -0.233 2.006 -1.533) 2.535 20.962 ( 0.233 2.006 1.533) 2.535 21.168 ( 0.955 -3.281 -2.360) 4.153 21.168 ( -0.955 -3.281 2.360) 4.153 21.999 ( 0.034 3.593 -1.203) 3.789 21.999 ( -0.034 3.593 1.203) 3.789 22.089 ( 0.328 1.741 -0.410) 1.818 22.089 ( -0.328 1.741 0.410) 1.818 22.292 ( -1.331 -0.160 -2.799) 3.104 22.292 ( 1.331 -0.160 2.799) 3.104 22.703 ( -0.845 -0.917 -0.081) 1.250 22.703 ( 0.845 -0.917 0.081) 1.250 22.848 ( -0.092 -4.060 -3.882) 5.619 22.848 ( 0.092 -4.060 3.882) 5.619 23.196 ( -2.759 -0.574 -0.907) 2.960 23.196 ( 2.759 -0.574 0.907) 2.960 23.334 ( -2.227 -2.392 -1.190) 3.478 23.334 ( 2.227 -2.392 1.190) 3.478 24.005 ( 0.959 -0.745 -2.024) 2.360 24.005 ( -0.959 -0.745 2.024) 2.360 24.061 ( -0.622 0.141 -2.753) 2.826 24.061 ( 0.622 0.141 2.753) 2.826 24.238 ( 0.482 1.367 -0.848) 1.679 24.238 ( -0.482 1.367 0.848) 1.679 24.611 ( -0.134 2.975 -3.228) 4.391 24.611 ( 0.134 2.975 3.228) 4.391 24.672 ( 1.163 0.296 -1.875) 2.226 24.672 ( -1.163 0.296 1.875) 2.226 24.796 ( -0.278 1.058 -1.413) 1.787 24.796 ( 0.278 1.058 1.413) 1.787 25.258 ( 0.901 -2.967 -3.110) 4.392 25.258 ( -0.901 -2.967 3.110) 4.392 ======================= Grid point 151 (74/80) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 4.310 10.954 0.879) 11.804 1.617 ( 1.228 3.813 2.832) 4.905 1.781 ( 11.414 8.944 -2.331) 14.687 1.842 ( 4.785 1.667 0.778) 5.127 1.868 ( -7.481 0.329 9.787) 12.323 1.922 ( -1.404 9.650 6.394) 11.661 2.066 ( -2.299 -0.148 2.416) 3.338 2.194 ( -5.084 3.489 -2.730) 6.744 2.206 ( 1.331 -4.030 0.336) 4.257 2.301 ( 3.718 -3.543 -3.152) 6.026 2.479 ( 3.369 6.610 -1.735) 7.620 2.494 ( -1.958 -7.658 4.502) 9.097 2.623 ( -2.680 -2.981 -7.426) 8.439 2.650 ( -0.089 -0.712 4.531) 4.588 2.709 ( 2.271 -1.957 -0.296) 3.013 2.771 ( 4.050 -2.561 -2.372) 5.346 2.862 ( 6.523 -3.646 -0.747) 7.510 2.890 ( -1.682 2.104 1.729) 3.201 2.966 ( -1.315 -5.740 -0.810) 5.944 3.086 ( 1.745 -5.009 3.430) 6.316 3.168 ( 8.381 -2.131 5.586) 10.295 3.201 ( 3.268 -0.508 2.373) 4.071 3.337 ( 2.814 0.866 0.497) 2.986 3.359 ( -1.945 1.690 4.796) 5.445 3.459 ( 0.679 2.369 -5.394) 5.931 3.479 ( 1.324 -1.111 -1.986) 2.633 3.505 ( 1.012 -2.048 -4.104) 4.697 3.589 ( -1.424 4.049 -3.587) 5.594 3.636 ( 3.520 -0.521 -2.060) 4.112 3.730 ( -2.059 5.362 -2.373) 6.214 3.802 ( 1.906 1.037 -2.931) 3.647 3.843 ( 0.972 3.468 -1.696) 3.981 3.884 ( 1.800 0.670 3.161) 3.699 3.920 ( -0.472 4.160 -2.249) 4.752 4.006 ( -7.335 -3.267 0.183) 8.032 4.061 ( -2.159 -2.852 0.524) 3.615 4.081 ( 1.644 2.974 -2.300) 4.103 4.152 ( 3.373 7.213 4.953) 9.377 4.296 ( 0.617 5.178 2.291) 5.696 4.318 ( 6.497 2.285 2.360) 7.281 4.366 ( 4.903 0.489 -4.509) 6.679 4.439 ( 1.935 3.071 3.097) 4.771 4.540 ( 1.173 1.715 -3.540) 4.105 4.558 ( -0.706 1.063 -2.400) 2.718 4.594 ( -3.777 3.761 4.031) 6.683 4.651 ( 0.202 3.642 3.747) 5.230 4.693 ( -0.019 2.263 -1.105) 2.519 4.763 ( -3.033 5.757 -2.618) 7.014 4.797 ( 1.718 5.627 4.589) 7.462 4.873 ( 2.295 2.330 1.092) 3.448 5.040 ( 5.886 0.488 3.347) 6.789 5.070 ( 0.424 -2.100 0.416) 2.182 5.136 ( 0.893 3.355 3.178) 4.707 5.166 ( 4.831 -0.623 1.087) 4.991 5.201 ( -1.617 -4.600 4.422) 6.582 5.268 ( 1.980 -3.106 -1.434) 3.953 5.446 ( -1.017 -2.215 -2.205) 3.287 5.500 ( -0.043 -4.908 0.093) 4.910 5.676 ( 2.853 6.534 -10.548) 12.732 5.772 ( -6.104 10.312 5.833) 13.328 5.948 ( -6.375 6.403 -1.337) 9.134 6.072 ( -8.122 7.243 -1.214) 10.950 6.131 ( -9.851 -4.071 -4.439) 11.547 6.221 ( 3.434 -8.931 -5.834) 11.207 6.275 ( -3.529 -7.552 0.445) 8.348 6.361 ( -7.551 -4.397 0.911) 8.785 6.500 ( -2.490 -6.184 -1.106) 6.758 6.530 ( 2.429 -4.779 0.153) 5.363 6.650 ( -7.190 -2.334 -8.400) 11.301 6.781 ( -1.313 -7.941 -0.639) 8.074 6.914 ( 0.922 -4.772 0.328) 4.871 6.956 ( -10.849 -6.332 -1.910) 12.706 7.170 ( 6.310 -1.474 3.124) 7.194 7.214 ( -3.388 1.642 -1.858) 4.199 7.261 ( 1.422 -3.549 0.388) 3.843 7.292 ( 2.847 1.229 0.923) 3.236 7.496 ( 0.936 -1.556 2.416) 3.022 7.572 ( 4.503 0.472 0.755) 4.590 7.634 ( 2.500 -2.850 1.466) 4.064 7.771 ( 7.409 -2.255 -1.013) 7.810 7.879 ( -2.502 2.489 4.350) 5.601 8.003 ( 3.943 4.387 0.932) 5.972 8.139 ( -4.882 -3.425 -2.251) 6.374 8.197 ( 1.126 -0.607 -2.447) 2.761 8.329 ( -0.854 1.406 -3.582) 3.942 8.392 ( 0.201 -0.382 -0.025) 0.432 8.434 ( 0.688 -1.140 -3.473) 3.719 8.499 ( 1.065 -1.699 2.416) 3.140 8.797 ( 0.456 4.540 -6.268) 7.753 8.818 ( 2.649 3.301 -3.692) 5.617 8.870 ( -1.546 2.271 1.915) 3.349 8.940 ( 1.795 0.240 2.374) 2.986 9.138 ( -1.135 -1.233 -1.857) 2.502 9.216 ( 0.146 -2.296 2.741) 3.579 9.334 ( 5.494 0.601 7.255) 9.120 9.388 ( 6.424 -0.045 5.151) 8.234 9.563 ( -1.783 -0.700 -0.005) 1.915 9.609 ( 0.608 -3.532 1.143) 3.762 9.769 ( 0.510 2.327 1.363) 2.745 9.790 ( 2.611 1.585 -1.155) 3.265 9.949 ( 0.669 0.450 0.362) 0.884 9.984 ( 2.200 -0.784 1.049) 2.561 10.343 ( -2.738 -0.114 -2.219) 3.526 10.367 ( -3.740 -2.142 -3.444) 5.517 10.381 ( 1.313 0.547 -0.160) 1.432 10.403 ( -2.868 -0.036 2.713) 3.948 10.455 ( -1.604 1.170 1.382) 2.418 10.549 ( 3.381 -3.749 -2.293) 5.545 10.916 ( -8.465 5.816 -1.347) 10.359 10.982 ( -8.155 4.115 1.238) 9.218 11.117 ( -5.938 6.251 -2.316) 8.927 11.349 ( -12.244 1.362 0.817) 12.347 11.376 ( 0.389 -0.290 -0.354) 0.601 11.451 ( 2.554 -0.637 -3.340) 4.253 11.552 ( -0.096 -5.366 -2.979) 6.138 11.645 ( 1.847 -4.101 1.160) 4.645 11.977 ( -9.435 0.398 0.991) 9.495 12.154 ( -0.470 -5.664 -0.725) 5.729 12.287 ( -0.347 2.588 3.751) 4.570 12.364 ( 5.442 1.487 2.192) 6.053 12.445 ( 6.963 -1.047 0.407) 7.053 12.462 ( 5.337 -2.990 -0.646) 6.152 12.666 ( -2.011 0.138 2.247) 3.019 12.711 ( 2.095 -1.013 -3.358) 4.086 13.060 ( -2.915 1.273 1.734) 3.623 13.096 ( 0.373 -0.888 1.097) 1.460 13.382 ( 0.006 5.088 -2.177) 5.534 13.471 ( 3.887 2.457 0.164) 4.602 13.708 ( -0.861 5.747 -4.592) 7.407 13.775 ( -3.241 1.930 -9.871) 10.568 14.032 ( 6.689 10.319 8.189) 14.775 14.173 ( 4.830 0.686 8.394) 9.708 14.442 ( -4.531 2.080 -1.309) 5.155 14.625 ( 1.268 -4.057 2.902) 5.147 14.761 ( -1.662 1.633 -1.396) 2.716 14.917 ( 2.872 -3.968 -0.119) 4.900 15.344 ( 1.544 1.333 -0.378) 2.075 15.389 ( 2.589 -1.071 0.321) 2.820 15.617 ( -2.684 1.590 -3.153) 4.435 15.681 ( -0.930 -0.650 -3.858) 4.022 15.815 ( 1.362 -4.743 -0.787) 4.997 15.836 ( 0.282 -5.337 0.743) 5.396 16.272 ( -1.660 0.112 4.546) 4.841 16.302 ( 3.153 -1.338 -1.728) 3.836 16.879 ( -0.700 3.494 0.899) 3.675 16.901 ( 0.829 2.600 -0.420) 2.761 17.648 ( 0.267 -0.368 -0.853) 0.966 17.654 ( -0.545 -0.633 0.855) 1.195 20.949 ( 0.834 2.107 -1.811) 2.901 20.981 ( 0.518 1.439 0.551) 1.626 21.167 ( 1.232 -2.975 -0.422) 3.247 21.197 ( 1.705 -3.863 0.395) 4.241 21.991 ( -0.233 3.699 0.457) 3.734 22.021 ( 0.523 4.042 1.281) 4.272 22.092 ( 0.358 3.071 0.325) 3.109 22.106 ( 1.114 1.085 0.697) 1.704 22.255 ( -0.403 -0.956 -1.010) 1.448 22.342 ( 1.335 -1.644 1.266) 2.467 22.673 ( -1.621 0.028 2.257) 2.779 22.743 ( 3.212 -0.423 -1.526) 3.581 22.817 ( -0.432 -1.460 -0.783) 1.712 22.896 ( -0.088 -5.461 4.106) 6.832 23.094 ( -4.165 0.146 -3.285) 5.306 23.144 ( -2.836 -1.614 -5.313) 6.235 23.397 ( 3.748 -1.453 4.632) 6.133 23.438 ( 4.238 -3.295 3.971) 6.678 23.961 ( -4.112 0.740 2.138) 4.694 24.009 ( 0.002 -0.600 -2.949) 3.010 24.046 ( 0.674 0.314 0.382) 0.835 24.106 ( 1.929 -1.310 1.251) 2.646 24.213 ( -1.592 2.148 -0.123) 2.677 24.243 ( 0.354 0.817 -1.343) 1.611 24.586 ( 0.544 3.577 -1.918) 4.095 24.645 ( -0.170 1.689 2.610) 3.114 24.672 ( 0.701 -0.016 -1.656) 1.799 24.674 ( 0.224 0.878 0.377) 0.981 24.761 ( -2.185 0.836 0.162) 2.345 24.810 ( 0.114 -0.513 -0.085) 0.533 25.209 ( -1.462 -1.518 -4.672) 5.126 25.243 ( -3.799 -2.691 2.137) 5.122 ======================= Grid point 152 (75/80) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 9.062 11.852 2.198) 15.081 1.622 ( 1.017 3.472 0.969) 3.745 1.714 ( -8.389 4.131 2.450) 9.667 1.900 ( -3.764 2.597 0.421) 4.593 1.963 ( 6.999 5.597 -2.049) 9.193 2.008 ( -1.713 6.596 8.343) 10.772 2.097 ( 1.333 3.199 2.771) 4.437 2.117 ( 2.252 0.088 3.944) 4.543 2.248 ( 0.003 -0.919 3.130) 3.262 2.334 ( 4.200 -5.470 -4.880) 8.448 2.445 ( -4.046 -0.970 -1.896) 4.572 2.464 ( -5.079 -4.982 -5.148) 8.782 2.647 ( 8.348 -0.172 1.256) 8.443 2.723 ( 2.751 -1.693 0.210) 3.237 2.775 ( 0.485 2.446 9.831) 10.143 2.797 ( 1.710 -4.110 -0.329) 4.464 2.874 ( 1.661 -5.266 -4.893) 7.378 2.918 ( 2.161 3.127 -0.908) 3.908 2.992 ( 4.073 -2.747 3.659) 6.125 3.159 ( 4.289 -3.806 2.148) 6.123 3.273 ( 0.776 1.056 4.575) 4.759 3.289 ( -0.687 3.527 -2.998) 4.680 3.342 ( -0.372 0.808 -3.552) 3.662 3.406 ( -3.621 0.186 1.184) 3.814 3.434 ( 8.131 2.380 -6.591) 10.734 3.488 ( 2.485 0.479 -1.806) 3.109 3.565 ( 1.609 3.024 0.844) 3.528 3.590 ( 1.809 0.587 6.328) 6.608 3.613 ( 3.817 1.165 -2.651) 4.791 3.702 ( 2.912 0.088 -2.053) 3.564 3.812 ( -2.508 -1.914 -1.586) 3.531 3.863 ( -2.469 -0.845 -1.610) 3.067 3.892 ( 3.586 0.705 1.075) 3.809 3.895 ( 1.868 2.227 1.898) 3.472 3.948 ( 1.783 1.317 0.280) 2.235 4.092 ( 2.873 0.599 -2.810) 4.063 4.100 ( 4.488 1.885 -2.863) 5.647 4.221 ( -6.486 10.806 1.169) 12.657 4.285 ( 2.754 5.352 4.132) 7.301 4.337 ( -2.941 7.015 -3.936) 8.565 4.396 ( -0.626 0.081 -3.929) 3.979 4.449 ( -0.085 5.231 -3.450) 6.266 4.500 ( -4.583 1.827 0.144) 4.936 4.545 ( -4.666 2.847 1.991) 5.818 4.606 ( 0.508 2.716 3.929) 4.804 4.691 ( 4.208 0.162 4.271) 5.997 4.699 ( 2.155 0.207 4.487) 4.982 4.816 ( -0.462 4.613 -0.652) 4.682 4.839 ( 6.598 3.987 0.542) 7.729 4.973 ( 4.546 0.900 4.073) 6.169 5.041 ( -3.673 0.219 0.790) 3.764 5.104 ( 2.401 -5.281 -1.814) 6.078 5.144 ( 0.557 -0.637 2.223) 2.379 5.206 ( 0.671 -1.010 1.334) 1.803 5.256 ( -2.145 2.205 -0.905) 3.206 5.336 ( 3.748 0.306 1.632) 4.099 5.427 ( -0.406 0.727 1.441) 1.665 5.511 ( 1.498 0.122 1.812) 2.354 5.643 ( -5.484 4.856 -1.579) 7.493 5.665 ( 0.944 6.467 -6.857) 9.473 5.814 ( -6.429 3.657 -3.410) 8.144 5.890 ( -2.969 -0.479 -1.497) 3.359 5.949 ( -9.263 -3.898 -4.462) 10.996 6.132 ( -8.886 -7.278 0.096) 11.487 6.244 ( 5.163 -8.439 -6.447) 11.808 6.335 ( -3.819 -7.236 3.738) 8.995 6.417 ( -4.897 -8.185 -3.292) 10.091 6.453 ( -2.017 -9.145 -0.436) 9.375 6.570 ( 1.417 -0.911 -2.525) 3.036 6.691 ( -6.811 -5.491 -1.566) 8.888 6.833 ( -3.224 -0.615 2.283) 3.998 6.915 ( -1.466 -3.825 -1.887) 4.510 7.176 ( 1.396 4.815 0.710) 5.063 7.260 ( 3.933 0.253 -1.129) 4.100 7.289 ( 2.156 -2.784 0.473) 3.553 7.367 ( 1.693 4.536 0.367) 4.856 7.530 ( -0.196 -1.013 2.755) 2.942 7.604 ( -1.053 -3.562 0.210) 3.720 7.701 ( 1.987 -6.016 1.120) 6.434 7.833 ( 3.902 -0.064 -1.501) 4.181 7.919 ( -0.625 -4.154 1.599) 4.495 8.070 ( -0.762 1.999 2.610) 3.375 8.077 ( 3.656 -0.034 0.714) 3.725 8.179 ( -0.756 -0.018 -2.320) 2.440 8.282 ( 0.366 2.884 -3.646) 4.663 8.389 ( -0.329 -0.944 -3.932) 4.057 8.452 ( 4.421 2.609 1.747) 5.423 8.553 ( 2.058 0.612 2.121) 3.018 8.749 ( 1.667 3.545 -6.525) 7.610 8.823 ( -3.842 2.022 0.634) 4.388 8.863 ( 4.576 4.267 -3.181) 7.019 8.967 ( -2.479 0.762 3.498) 4.354 9.143 ( 2.483 -1.246 0.123) 2.781 9.234 ( -1.351 -3.432 2.093) 4.240 9.479 ( 2.127 0.356 4.133) 4.662 9.525 ( -1.172 -1.053 1.626) 2.264 9.563 ( 7.145 1.303 2.814) 7.789 9.650 ( 1.948 -3.900 3.131) 5.367 9.788 ( -0.004 0.952 0.540) 1.095 9.804 ( 0.794 0.895 -2.724) 2.975 9.987 ( 2.391 0.405 1.771) 3.003 10.044 ( 3.192 -1.839 1.363) 3.928 10.200 ( -7.856 -0.163 -2.711) 8.312 10.248 ( -5.099 -2.234 -3.791) 6.735 10.412 ( -0.847 0.457 2.314) 2.506 10.433 ( 2.950 2.388 0.621) 3.846 10.464 ( 1.192 2.519 2.172) 3.533 10.567 ( 2.095 -3.367 -3.366) 5.201 10.762 ( -5.646 4.560 -1.918) 7.507 10.839 ( -8.051 3.130 0.314) 8.644 11.006 ( -4.528 3.052 -1.693) 5.717 11.112 ( -12.887 -1.701 -0.053) 12.999 11.365 ( -0.773 2.491 0.138) 2.612 11.447 ( -1.955 -1.614 -3.409) 4.248 11.538 ( 3.730 -2.466 -1.279) 4.651 11.665 ( -1.366 -5.468 0.259) 5.642 11.902 ( 0.234 3.024 0.938) 3.174 12.095 ( -6.080 1.248 -0.565) 6.233 12.313 ( 1.987 -4.772 2.644) 5.807 12.451 ( -2.355 -5.344 1.533) 6.037 12.530 ( 6.149 1.550 0.572) 6.367 12.569 ( 4.486 0.973 -0.571) 4.626 12.679 ( 0.021 -0.484 3.484) 3.518 12.723 ( 3.209 -2.382 -2.239) 4.581 13.033 ( -1.179 3.036 0.949) 3.392 13.107 ( -1.043 0.082 0.333) 1.098 13.362 ( 0.277 3.074 -0.507) 3.128 13.487 ( -1.423 -1.123 -3.357) 3.815 13.676 ( 2.496 5.941 -2.816) 7.032 13.711 ( 2.761 4.158 -3.501) 6.096 14.158 ( 0.453 8.219 3.356) 8.889 14.245 ( -2.880 1.553 0.745) 3.356 14.442 ( 4.172 4.050 4.839) 7.565 14.669 ( -1.716 -3.951 1.910) 4.712 14.786 ( 5.026 1.549 3.453) 6.291 14.961 ( 2.433 -4.134 -0.612) 4.835 15.355 ( -0.093 0.072 -0.863) 0.871 15.408 ( -0.288 -2.006 -1.244) 2.378 15.554 ( -0.463 2.046 -2.629) 3.364 15.596 ( -2.178 0.316 -5.051) 5.510 15.839 ( 1.662 -5.419 -0.418) 5.683 15.849 ( 0.220 -5.737 0.780) 5.794 16.302 ( -0.777 -0.796 4.738) 4.866 16.332 ( 2.241 -2.348 -2.059) 3.843 16.883 ( -0.266 3.556 1.369) 3.820 16.904 ( 0.349 2.646 -0.934) 2.828 17.645 ( 0.417 -0.272 -0.728) 0.882 17.651 ( -0.686 -0.539 0.738) 1.143 20.955 ( 1.701 1.814 -1.264) 2.790 20.987 ( -0.237 1.113 0.069) 1.140 21.194 ( 1.883 -3.579 -0.091) 4.046 21.222 ( 0.753 -4.389 0.060) 4.454 22.000 ( 0.209 4.333 1.312) 4.532 22.034 ( -0.149 5.113 0.204) 5.120 22.108 ( 1.132 3.067 0.552) 3.316 22.132 ( 0.737 1.456 0.654) 1.758 22.261 ( 0.459 -2.678 1.741) 3.227 22.344 ( -0.223 -3.979 -2.626) 4.772 22.715 ( 1.346 1.932 5.877) 6.331 22.783 ( 3.630 -0.383 -2.045) 4.184 22.810 ( -0.605 -0.210 0.622) 0.893 22.908 ( -2.435 -3.793 1.407) 4.722 23.013 ( -2.163 0.269 -1.477) 2.633 23.047 ( -2.189 -1.254 -4.318) 5.001 23.492 ( 2.867 -1.079 2.204) 3.774 23.522 ( 1.416 -3.022 2.343) 4.078 23.924 ( -3.499 2.185 4.014) 5.756 23.969 ( 0.526 1.628 -5.162) 5.438 24.074 ( 0.317 -1.211 3.159) 3.398 24.135 ( 0.570 -1.757 -0.581) 1.937 24.194 ( -0.667 1.845 0.723) 2.091 24.226 ( -0.144 0.707 -2.059) 2.182 24.592 ( 1.055 2.486 0.094) 2.702 24.639 ( -1.318 0.906 -0.570) 1.698 24.667 ( 1.680 -0.804 -2.444) 3.073 24.692 ( 0.188 0.647 1.119) 1.306 24.743 ( -1.714 -0.501 3.322) 3.771 24.801 ( -0.017 -2.131 -1.775) 2.774 25.139 ( 0.320 0.768 -5.461) 5.524 25.184 ( -5.357 -1.181 2.350) 5.968 ======================= Grid point 153 (76/80) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 6.099 8.952 -5.694) 12.238 1.600 ( -6.099 8.952 5.694) 12.238 1.773 ( 4.363 4.842 -11.155) 12.919 1.773 ( -4.363 4.842 11.155) 12.919 2.029 ( 3.910 3.833 -3.605) 6.556 2.029 ( -3.910 3.833 3.605) 6.556 2.166 ( 1.891 -1.951 -2.452) 3.660 2.166 ( -1.891 -1.951 2.452) 3.660 2.298 ( -2.745 -3.699 -1.946) 5.001 2.298 ( 2.745 -3.699 1.946) 5.001 2.376 ( 2.620 -1.460 -4.661) 5.543 2.376 ( -2.620 -1.460 4.661) 5.543 2.736 ( -1.666 -0.069 0.125) 1.672 2.736 ( 1.666 -0.069 -0.125) 1.672 2.830 ( 2.109 0.626 -3.889) 4.468 2.830 ( -2.109 0.626 3.889) 4.468 2.900 ( 2.638 1.581 -7.501) 8.107 2.900 ( -2.638 1.581 7.501) 8.107 3.160 ( -6.524 -1.776 -7.253) 9.916 3.160 ( 6.524 -1.776 7.253) 9.916 3.278 ( -2.773 0.334 -2.729) 3.905 3.278 ( 2.773 0.334 2.729) 3.905 3.302 ( -1.493 -0.113 -0.993) 1.796 3.302 ( 1.493 -0.113 0.993) 1.796 3.502 ( 3.552 2.631 -5.804) 7.295 3.502 ( -3.552 2.631 5.804) 7.295 3.621 ( -5.365 -2.405 1.145) 5.990 3.621 ( 5.365 -2.405 -1.145) 5.990 3.707 ( -3.427 -2.678 -4.174) 6.028 3.707 ( 3.427 -2.678 4.174) 6.028 3.785 ( -2.829 0.166 -2.884) 4.044 3.785 ( 2.829 0.166 2.884) 4.044 3.947 ( 2.596 4.008 -1.314) 4.953 3.947 ( -2.596 4.008 1.314) 4.953 4.046 ( -3.913 2.891 -5.840) 7.601 4.046 ( 3.913 2.891 5.840) 7.601 4.149 ( 1.283 7.993 -4.465) 9.245 4.149 ( -1.283 7.993 4.465) 9.245 4.268 ( 3.169 4.153 -3.232) 6.142 4.268 ( -3.169 4.153 3.232) 6.142 4.396 ( -4.764 6.620 0.253) 8.160 4.396 ( 4.764 6.620 -0.253) 8.160 4.473 ( 2.329 3.174 -2.904) 4.893 4.473 ( -2.329 3.174 2.904) 4.893 4.695 ( -1.951 1.969 -5.267) 5.952 4.695 ( 1.951 1.969 5.267) 5.952 4.785 ( -2.090 -1.034 -3.467) 4.178 4.785 ( 2.090 -1.034 3.467) 4.178 4.953 ( -4.350 4.950 -0.540) 6.612 4.953 ( 4.350 4.950 0.540) 6.612 5.096 ( -2.611 -6.437 -4.255) 8.146 5.096 ( 2.611 -6.437 4.255) 8.146 5.193 ( -1.175 2.540 -3.019) 4.117 5.193 ( 1.175 2.540 3.019) 4.117 5.290 ( -3.743 -2.267 -6.983) 8.241 5.290 ( 3.743 -2.267 6.983) 8.241 5.486 ( -3.227 3.926 -4.917) 7.071 5.486 ( 3.227 3.926 4.917) 7.071 5.607 ( -2.137 2.103 -8.238) 8.767 5.607 ( 2.137 2.103 8.238) 8.767 5.760 ( -3.211 1.216 -2.228) 4.093 5.760 ( 3.211 1.216 2.228) 4.093 5.980 ( -5.359 -7.019 -3.136) 9.371 5.980 ( 5.359 -7.019 3.136) 9.371 6.271 ( 5.786 -9.326 -5.577) 12.311 6.271 ( -5.786 -9.326 5.577) 12.311 6.419 ( -0.033 -7.020 -2.122) 7.334 6.419 ( 0.033 -7.020 2.122) 7.334 6.589 ( -1.152 -2.832 -0.879) 3.181 6.589 ( 1.152 -2.832 0.879) 3.181 6.850 ( 1.714 -0.836 -6.546) 6.818 6.850 ( -1.714 -0.836 6.546) 6.818 7.255 ( -3.124 4.776 -2.266) 6.140 7.255 ( 3.124 4.776 2.266) 6.140 7.338 ( -1.787 0.579 -2.538) 3.158 7.338 ( 1.787 0.579 2.538) 3.158 7.564 ( -0.462 -2.972 -2.991) 4.242 7.564 ( 0.462 -2.972 2.991) 4.242 7.772 ( -2.681 -8.801 -5.403) 10.670 7.772 ( 2.681 -8.801 5.403) 10.670 8.021 ( -5.078 2.769 -3.875) 6.962 8.021 ( 5.078 2.769 3.875) 6.962 8.137 ( 0.096 1.944 -3.414) 3.929 8.137 ( -0.096 1.944 3.414) 3.929 8.317 ( -2.632 -0.280 -3.670) 4.525 8.317 ( 2.632 -0.280 3.670) 4.525 8.556 ( -2.078 2.872 -2.732) 4.475 8.556 ( 2.078 2.872 2.732) 4.475 8.749 ( 2.037 1.183 -2.636) 3.535 8.749 ( -2.037 1.183 2.636) 3.535 8.926 ( 5.106 3.568 -2.901) 6.872 8.926 ( -5.106 3.568 2.901) 6.872 9.203 ( -0.403 -2.233 -1.181) 2.558 9.203 ( 0.403 -2.233 1.181) 2.558 9.509 ( -0.439 0.115 -0.379) 0.591 9.509 ( 0.439 0.115 0.379) 0.591 9.691 ( -0.970 -0.711 -1.368) 1.822 9.691 ( 0.970 -0.711 1.368) 1.822 9.779 ( 1.407 -0.568 -2.318) 2.771 9.779 ( -1.407 -0.568 2.318) 2.771 10.062 ( -3.610 0.224 -2.676) 4.499 10.062 ( 3.610 0.224 2.676) 4.499 10.131 ( -4.058 -2.618 -2.292) 5.346 10.131 ( 4.058 -2.618 2.292) 5.346 10.436 ( 0.865 2.732 -2.777) 3.990 10.436 ( -0.865 2.732 2.777) 3.990 10.535 ( -1.083 0.282 -4.832) 4.960 10.535 ( 1.083 0.282 4.832) 4.960 10.737 ( -1.666 2.233 -0.860) 2.916 10.737 ( 1.666 2.233 0.860) 2.916 10.968 ( 1.574 -0.228 -2.514) 2.975 10.968 ( -1.574 -0.228 2.514) 2.975 11.379 ( -1.265 1.034 -2.249) 2.780 11.379 ( 1.265 1.034 2.249) 2.780 11.610 ( -3.686 -4.780 -0.362) 6.047 11.610 ( 3.686 -4.780 0.362) 6.047 11.975 ( -4.561 4.467 -1.347) 6.525 11.975 ( 4.561 4.467 1.347) 6.525 12.389 ( -3.213 -7.481 -1.773) 8.333 12.389 ( 3.213 -7.481 1.773) 8.333 12.594 ( -0.431 2.097 -0.801) 2.285 12.594 ( 0.431 2.097 0.801) 2.285 12.727 ( -0.445 -1.552 -2.250) 2.770 12.727 ( 0.445 -1.552 2.250) 2.770 13.060 ( -1.876 2.422 -1.836) 3.572 13.060 ( 1.876 2.422 1.836) 3.572 13.404 ( -2.109 -0.747 -3.804) 4.413 13.404 ( 2.109 -0.747 3.804) 4.413 13.712 ( -0.960 5.759 -0.769) 5.889 13.712 ( 0.960 5.759 0.769) 5.889 14.186 ( -1.963 4.501 -0.955) 5.002 14.186 ( 1.963 4.501 0.955) 5.002 14.587 ( -5.068 2.161 -4.403) 7.052 14.587 ( 5.068 2.161 4.403) 7.052 14.934 ( -3.038 -3.048 -5.409) 6.912 14.934 ( 3.038 -3.048 5.409) 6.912 15.362 ( -1.076 -1.649 -2.402) 3.106 15.362 ( 1.076 -1.649 2.402) 3.106 15.545 ( -0.257 1.389 -0.849) 1.648 15.545 ( 0.257 1.389 0.849) 1.648 15.854 ( 0.640 -5.634 -0.829) 5.730 15.854 ( -0.640 -5.634 0.829) 5.730 16.331 ( 1.070 -2.040 -3.506) 4.195 16.331 ( -1.070 -2.040 3.506) 4.195 16.895 ( 0.109 3.128 -1.401) 3.429 16.895 ( -0.109 3.128 1.401) 3.429 17.647 ( 0.625 -0.361 -0.689) 0.998 17.647 ( -0.625 -0.361 0.689) 0.998 20.975 ( 0.120 1.372 -0.277) 1.404 20.975 ( -0.120 1.372 0.277) 1.404 21.220 ( 1.751 -4.378 -3.136) 5.663 21.220 ( -1.751 -4.378 3.136) 5.663 22.021 ( -0.294 5.159 -1.424) 5.360 22.021 ( 0.294 5.159 1.424) 5.360 22.133 ( -0.575 2.233 -0.681) 2.405 22.133 ( 0.575 2.233 0.681) 2.405 22.300 ( -0.557 -3.970 -3.549) 5.355 22.300 ( 0.557 -3.970 3.549) 5.355 22.793 ( 2.869 0.435 -6.408) 7.035 22.793 ( -2.869 0.435 6.408) 7.035 22.841 ( -2.695 -0.803 -2.048) 3.479 22.841 ( 2.695 -0.803 2.048) 3.479 22.996 ( -0.165 -0.218 -1.454) 1.479 22.996 ( 0.165 -0.218 1.454) 1.479 23.536 ( 0.581 -1.590 -1.035) 1.984 23.536 ( -0.581 -1.590 1.035) 1.984 23.930 ( 1.650 2.663 -5.436) 6.274 23.930 ( -1.650 2.663 5.436) 6.274 24.115 ( 1.285 -1.608 -4.557) 5.000 24.115 ( -1.285 -1.608 4.557) 5.000 24.202 ( 0.803 1.140 -2.757) 3.090 24.202 ( -0.803 1.140 2.757) 3.090 24.612 ( -0.207 0.740 -1.428) 1.621 24.612 ( 0.207 0.740 1.428) 1.621 24.683 ( 1.829 -0.624 -1.060) 2.204 24.683 ( -1.829 -0.624 1.060) 2.204 24.771 ( 0.465 -1.786 -4.338) 4.714 24.771 ( -0.465 -1.786 4.338) 4.714 25.129 ( 4.138 0.803 -4.519) 6.180 25.129 ( -4.138 0.803 4.519) 6.180 ======================= Grid point 157 (77/80) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -0.000 0.000 -0.000) 0.000 1.591 ( 0.000 0.000 0.000) 0.000 1.746 ( -0.000 0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 1.870 ( -0.000 0.000 0.000) 0.000 1.870 ( 0.000 0.000 0.000) 0.000 2.080 ( 0.000 0.000 0.000) 0.000 2.080 ( -0.000 0.000 0.000) 0.000 2.365 ( 0.000 -0.000 0.000) 0.000 2.365 ( -0.000 0.000 0.000) 0.000 2.509 ( -0.000 0.000 0.000) 0.000 2.509 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.601 ( -0.000 0.000 0.000) 0.000 2.738 ( -0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.811 ( -0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 -0.000 0.000) 0.001 3.008 ( 0.000 0.000 0.000) 0.000 3.008 ( -0.000 -0.000 -0.000) 0.000 3.008 ( -0.000 0.000 -0.000) 0.001 3.345 ( -0.000 0.000 0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 3.433 ( -0.000 0.000 0.000) 0.000 3.433 ( -0.000 0.000 0.000) 0.000 3.557 ( -0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.838 ( -0.000 0.000 0.000) 0.000 3.838 ( -0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 3.947 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 -0.000 0.000) 0.000 4.074 ( -0.000 0.000 0.000) 0.000 4.126 ( -0.000 0.000 0.000) 0.000 4.126 ( -0.000 0.000 0.000) 0.000 4.235 ( -0.000 0.000 0.000) 0.000 4.235 ( -0.000 0.000 0.000) 0.000 4.434 ( -0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.601 ( -0.000 -0.000 -0.000) 0.000 4.601 ( -0.000 0.000 0.000) 0.000 4.641 ( -0.000 0.000 0.000) 0.000 4.641 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 4.798 ( -0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.957 ( -0.000 -0.000 -0.000) 0.000 4.957 ( -0.000 0.000 0.000) 0.000 5.116 ( -0.000 0.000 0.000) 0.000 5.116 ( -0.000 0.000 0.000) 0.000 5.169 ( -0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.431 ( -0.000 0.000 0.000) 0.000 5.431 ( -0.000 0.000 0.000) 0.000 5.846 ( 0.000 0.000 0.000) 0.000 5.846 ( -0.000 0.000 0.000) 0.000 6.124 ( 0.000 0.000 0.000) 0.000 6.124 ( -0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.202 ( -0.000 0.000 0.000) 0.000 6.361 ( 0.000 -0.000 0.000) 0.000 6.361 ( 0.000 0.000 0.000) 0.000 6.466 ( -0.000 -0.000 -0.000) 0.000 6.466 ( 0.000 0.000 0.000) 0.000 6.668 ( -0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 0.000) 0.000 6.975 ( -0.000 0.000 0.000) 0.000 6.975 ( 0.000 0.000 0.000) 0.000 7.079 ( -0.000 0.000 -0.000) 0.000 7.079 ( 0.000 0.000 0.000) 0.000 7.275 ( 0.000 0.000 0.000) 0.000 7.275 ( 0.000 0.000 0.000) 0.000 7.509 ( 0.000 0.000 0.000) 0.000 7.509 ( 0.000 0.000 0.000) 0.000 7.601 ( -0.000 0.000 0.000) 0.000 7.601 ( -0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 7.999 ( -0.000 0.000 0.000) 0.000 8.155 ( -0.000 0.000 0.000) 0.000 8.155 ( -0.000 0.000 0.000) 0.000 8.404 ( 0.000 -0.000 -0.000) 0.000 8.404 ( -0.000 -0.000 0.000) 0.000 8.412 ( 0.000 0.000 -0.000) 0.000 8.412 ( -0.000 0.000 0.000) 0.000 8.870 ( 0.000 0.000 -0.000) 0.000 8.870 ( -0.000 0.000 0.000) 0.000 8.897 ( 0.000 0.000 -0.000) 0.000 8.897 ( -0.000 0.000 0.000) 0.000 9.177 ( -0.000 0.000 0.000) 0.000 9.177 ( -0.000 0.000 0.000) 0.000 9.267 ( -0.000 0.000 0.000) 0.000 9.267 ( 0.000 0.000 0.000) 0.000 9.563 ( 0.000 0.000 0.000) 0.000 9.563 ( -0.000 0.000 0.000) 0.000 9.789 ( 0.000 0.000 0.000) 0.000 9.789 ( -0.000 0.000 0.000) 0.000 9.955 ( 0.000 0.000 -0.000) 0.000 9.955 ( -0.000 0.000 0.000) 0.000 10.343 ( -0.000 0.000 0.000) 0.000 10.343 ( -0.000 0.000 0.000) 0.000 10.451 ( 0.000 0.000 -0.000) 0.000 10.451 ( 0.000 0.000 0.000) 0.000 10.458 ( -0.000 -0.000 -0.000) 0.000 10.458 ( -0.000 -0.000 0.000) 0.000 11.102 ( -0.000 0.000 0.000) 0.000 11.102 ( -0.000 0.000 0.000) 0.000 11.322 ( 0.000 0.000 0.000) 0.000 11.322 ( 0.000 0.000 0.000) 0.000 11.472 ( -0.000 0.000 0.000) 0.000 11.472 ( -0.000 0.000 0.000) 0.000 11.500 ( -0.000 -0.000 -0.000) 0.000 11.500 ( 0.000 0.000 -0.000) 0.000 12.169 ( -0.000 0.000 0.000) 0.000 12.169 ( 0.000 0.000 0.000) 0.000 12.195 ( -0.000 -0.000 0.000) 0.000 12.195 ( -0.000 0.000 0.000) 0.000 12.398 ( 0.000 0.000 0.000) 0.000 12.398 ( 0.000 0.000 0.000) 0.000 12.703 ( -0.000 0.000 0.000) 0.000 12.703 ( 0.000 0.000 0.000) 0.000 13.071 ( 0.000 0.000 0.000) 0.000 13.071 ( 0.000 0.000 0.000) 0.000 13.447 ( -0.000 0.000 0.000) 0.000 13.447 ( -0.000 0.000 0.000) 0.000 13.939 ( 0.000 0.000 0.000) 0.000 13.939 ( 0.000 0.000 0.000) 0.000 13.971 ( -0.000 0.000 -0.000) 0.000 13.971 ( -0.000 0.000 0.000) 0.000 14.553 ( 0.000 0.000 0.000) 0.000 14.553 ( 0.000 0.000 0.000) 0.000 14.814 ( -0.000 0.000 0.000) 0.000 14.814 ( -0.000 0.000 0.000) 0.000 15.352 ( -0.000 0.000 0.000) 0.000 15.352 ( 0.000 0.000 0.000) 0.000 15.675 ( 0.000 0.000 0.000) 0.000 15.675 ( 0.000 0.000 0.000) 0.000 15.777 ( -0.000 0.000 0.000) 0.000 15.777 ( -0.000 0.000 0.000) 0.000 16.269 ( 0.000 0.000 0.000) 0.000 16.269 ( -0.000 0.000 0.000) 0.000 16.921 ( -0.000 0.000 0.000) 0.000 16.921 ( -0.000 0.000 0.000) 0.000 17.646 ( 0.000 0.000 0.000) 0.000 17.646 ( -0.000 0.000 0.000) 0.000 20.989 ( -0.000 0.000 0.000) 0.000 20.989 ( 0.000 0.000 0.000) 0.000 21.128 ( 0.000 0.000 0.000) 0.000 21.128 ( 0.000 0.000 0.000) 0.000 22.055 ( -0.000 -0.000 0.000) 0.000 22.055 ( -0.000 0.000 0.000) 0.000 22.094 ( -0.000 0.000 0.000) 0.000 22.094 ( -0.000 0.000 0.000) 0.000 22.291 ( -0.000 0.000 0.000) 0.000 22.291 ( 0.000 0.000 0.000) 0.000 22.673 ( -0.000 0.000 0.000) 0.000 22.673 ( 0.000 0.000 0.000) 0.000 22.818 ( 0.000 0.000 0.000) 0.000 22.818 ( 0.000 0.000 0.000) 0.000 23.194 ( -0.000 0.000 0.000) 0.000 23.194 ( -0.000 0.000 0.000) 0.000 23.309 ( 0.000 0.000 0.000) 0.000 23.309 ( 0.000 0.000 0.000) 0.000 23.995 ( 0.000 0.000 -0.000) 0.000 23.995 ( -0.000 0.000 0.000) 0.000 24.061 ( 0.000 0.000 -0.000) 0.000 24.061 ( -0.000 0.000 0.000) 0.000 24.252 ( 0.000 0.000 0.000) 0.000 24.252 ( 0.000 0.000 0.000) 0.000 24.655 ( 0.000 -0.000 -0.000) 0.000 24.655 ( -0.000 0.000 0.000) 0.000 24.671 ( 0.000 0.000 -0.000) 0.000 24.671 ( 0.000 0.000 0.000) 0.000 24.805 ( 0.000 0.000 0.000) 0.000 24.805 ( -0.000 0.000 0.000) 0.000 25.224 ( -0.000 0.000 0.000) 0.000 25.224 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 161 (78/80) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 0.208 -9.450 2.299) 9.728 1.562 ( 0.208 9.450 2.299) 9.728 1.834 ( -4.678 -2.537 8.629) 10.138 1.834 ( -4.678 2.537 8.629) 10.138 1.988 ( 14.634 -8.687 -0.531) 17.027 1.988 ( 14.634 8.687 -0.531) 17.027 2.100 ( 1.558 -5.613 2.041) 6.172 2.100 ( 1.558 5.613 2.041) 6.172 2.269 ( -3.204 -4.897 -4.397) 7.319 2.269 ( -3.204 4.897 -4.397) 7.319 2.458 ( -6.198 -8.489 -1.079) 10.566 2.458 ( -6.198 8.489 -1.079) 10.566 2.636 ( 1.193 -4.375 1.350) 4.732 2.636 ( 1.193 4.375 1.350) 4.732 2.735 ( 5.161 -3.890 -1.486) 6.631 2.735 ( 5.161 3.890 -1.486) 6.631 2.815 ( -0.620 -5.415 -2.790) 6.123 2.815 ( -0.620 5.415 -2.790) 6.123 2.994 ( -0.425 -4.682 4.496) 6.505 2.994 ( -0.425 4.682 4.496) 6.505 3.169 ( 8.518 -1.647 6.266) 10.702 3.169 ( 8.518 1.647 6.266) 10.702 3.366 ( -0.391 -1.556 4.749) 5.013 3.366 ( -0.391 1.556 4.749) 5.013 3.449 ( 2.650 -0.896 -2.562) 3.794 3.449 ( 2.650 0.896 -2.562) 3.794 3.552 ( 1.585 -4.206 -1.264) 4.669 3.552 ( 1.585 4.206 -1.264) 4.669 3.720 ( 0.143 -5.410 -6.641) 8.566 3.720 ( 0.143 5.410 -6.641) 8.566 3.844 ( 1.582 -4.138 -3.982) 5.957 3.844 ( 1.582 4.138 -3.982) 5.957 3.955 ( -0.368 -3.021 0.903) 3.175 3.955 ( -0.368 3.021 0.903) 3.175 3.990 ( -6.412 -3.021 0.378) 7.098 3.990 ( -6.412 3.021 0.378) 7.098 4.174 ( 4.178 -6.024 0.620) 7.357 4.174 ( 4.178 6.024 0.620) 7.357 4.307 ( 5.479 -2.231 2.948) 6.610 4.307 ( 5.479 2.231 2.948) 6.610 4.471 ( 0.276 -1.975 -0.853) 2.169 4.471 ( 0.276 1.975 -0.853) 2.169 4.563 ( 1.171 -2.034 1.730) 2.916 4.563 ( 1.171 2.034 1.730) 2.916 4.673 ( -2.115 -3.084 1.352) 3.976 4.673 ( -2.115 3.084 1.352) 3.976 4.758 ( -1.463 -5.152 0.130) 5.357 4.758 ( -1.463 5.152 0.130) 5.357 4.886 ( 1.384 -2.623 -2.481) 3.866 4.886 ( 1.384 2.623 -2.481) 3.866 5.050 ( -0.114 -4.627 2.937) 5.482 5.050 ( -0.114 4.627 2.937) 5.482 5.119 ( 2.209 -3.901 1.162) 4.631 5.119 ( 2.209 3.901 1.162) 4.631 5.235 ( 5.642 -2.050 1.361) 6.155 5.235 ( 5.642 2.050 1.361) 6.155 5.433 ( -0.491 -1.315 1.928) 2.385 5.433 ( -0.491 1.315 1.928) 2.385 5.813 ( 0.533 -5.830 -6.500) 8.748 5.813 ( 0.533 5.830 -6.500) 8.748 6.050 ( -6.923 -4.415 -5.529) 9.899 6.050 ( -6.923 4.415 -5.529) 9.899 6.161 ( -3.946 -1.469 1.972) 4.649 6.161 ( -3.946 1.469 1.972) 4.649 6.284 ( -8.892 -7.767 -1.640) 11.920 6.284 ( -8.892 7.767 -1.640) 11.920 6.393 ( -3.865 -4.597 -2.369) 6.456 6.393 ( -3.865 4.597 -2.369) 6.456 6.655 ( -0.667 -3.554 -3.293) 4.891 6.655 ( -0.667 3.554 -3.293) 4.891 6.880 ( -5.506 -1.568 1.806) 6.003 6.880 ( -5.506 1.568 1.806) 6.003 7.177 ( 6.466 -2.769 0.253) 7.039 7.177 ( 6.466 2.769 0.253) 7.039 7.278 ( -0.923 -2.831 1.848) 3.504 7.278 ( -0.923 2.831 1.848) 3.504 7.513 ( -0.245 -3.351 3.156) 4.610 7.513 ( -0.245 3.351 3.156) 4.610 7.692 ( 7.951 -4.847 -1.561) 9.442 7.692 ( 7.951 4.847 -1.561) 9.442 7.976 ( -2.540 -6.006 -0.894) 6.582 7.976 ( -2.540 6.006 -0.894) 6.582 8.139 ( -0.251 -3.677 -0.123) 3.687 8.139 ( -0.251 3.677 -0.123) 3.687 8.385 ( 0.533 -2.755 -3.231) 4.279 8.385 ( 0.533 2.755 -3.231) 4.280 8.444 ( 2.000 -3.218 1.722) 4.162 8.444 ( 2.000 3.218 1.722) 4.162 8.857 ( -0.506 -1.307 -0.845) 1.636 8.857 ( -0.506 1.307 -0.845) 1.636 8.912 ( 3.110 -2.767 -3.164) 5.228 8.912 ( 3.110 2.767 -3.164) 5.228 9.156 ( -1.445 -2.677 1.591) 3.433 9.156 ( -1.445 2.677 1.591) 3.433 9.369 ( 5.322 -2.032 5.805) 8.133 9.369 ( 5.322 2.032 5.805) 8.133 9.564 ( -0.134 -0.955 0.585) 1.128 9.564 ( -0.134 0.955 0.585) 1.128 9.804 ( 1.018 -0.701 0.448) 1.314 9.804 ( 1.018 0.701 0.448) 1.314 9.966 ( 1.146 -1.048 0.376) 1.598 9.966 ( 1.146 1.048 0.376) 1.598 10.333 ( -2.568 -0.754 -2.055) 3.375 10.333 ( -2.568 0.754 -2.055) 3.375 10.397 ( -2.031 -0.677 2.207) 3.075 10.397 ( -2.031 0.677 2.207) 3.075 10.489 ( 2.295 -2.073 -2.113) 3.745 10.489 ( 2.295 2.073 -2.113) 3.745 11.017 ( -9.022 -2.193 0.409) 9.294 11.017 ( -9.022 2.193 0.409) 9.294 11.222 ( -8.810 -5.030 -1.031) 10.197 11.222 ( -8.810 5.030 -1.031) 10.197 11.442 ( 0.632 -3.532 -3.541) 5.041 11.442 ( 0.632 3.532 -3.541) 5.041 11.554 ( 1.532 -6.085 0.809) 6.327 11.554 ( 1.532 6.085 0.809) 6.327 12.030 ( -4.666 -5.053 -0.048) 6.878 12.030 ( -4.666 5.053 -0.048) 6.878 12.354 ( 0.299 -2.900 5.616) 6.327 12.354 ( 0.299 2.900 5.616) 6.327 12.430 ( 8.552 -0.813 -3.064) 9.120 12.430 ( 8.552 0.813 -3.064) 9.120 12.686 ( -1.070 -1.440 -0.389) 1.835 12.686 ( -1.070 1.440 -0.389) 1.835 13.075 ( -0.570 -0.880 1.769) 2.056 13.075 ( -0.570 0.880 1.769) 2.056 13.464 ( 1.417 -2.602 -1.085) 3.155 13.464 ( 1.417 2.602 -1.085) 3.155 13.787 ( -1.866 -1.430 -7.914) 8.256 13.787 ( -1.866 1.430 -7.914) 8.256 14.161 ( 5.568 -2.596 8.299) 10.325 14.161 ( 5.568 2.596 8.299) 10.325 14.524 ( -2.419 -5.416 0.814) 5.987 14.524 ( -2.419 5.416 0.814) 5.987 14.827 ( 1.655 -4.389 -0.288) 4.699 14.827 ( 1.655 4.389 -0.288) 4.699 15.368 ( 1.576 -1.012 -0.436) 1.923 15.368 ( 1.576 1.012 -0.436) 1.923 15.653 ( -1.363 -1.810 -2.793) 3.597 15.653 ( -1.363 1.810 -2.793) 3.597 15.771 ( 0.336 -0.657 -0.400) 0.840 15.771 ( 0.336 0.657 -0.400) 0.840 16.280 ( 0.413 -0.750 1.110) 1.402 16.280 ( 0.413 0.750 1.110) 1.402 16.923 ( 0.131 -0.568 0.133) 0.598 16.923 ( 0.131 0.568 0.133) 0.598 17.645 ( -0.114 -0.161 0.063) 0.208 17.645 ( -0.114 0.161 0.063) 0.208 20.987 ( 0.721 -1.168 -1.274) 1.873 20.987 ( 0.721 1.168 -1.274) 1.873 21.142 ( 1.029 -1.005 0.459) 1.509 21.142 ( 1.029 1.005 0.459) 1.509 22.059 ( 0.385 -1.865 0.544) 1.980 22.059 ( 0.385 1.865 0.544) 1.980 22.113 ( 0.758 -0.675 1.833) 2.095 22.113 ( 0.758 0.675 1.833) 2.095 22.279 ( -0.439 -3.384 -1.435) 3.702 22.279 ( -0.439 3.384 -1.435) 3.702 22.700 ( 1.998 -2.840 1.536) 3.797 22.700 ( 1.998 2.840 1.536) 3.797 22.824 ( -0.250 -1.549 1.637) 2.267 22.824 ( -0.250 1.549 1.637) 2.267 23.112 ( -3.434 -1.405 -4.386) 5.745 23.112 ( -3.434 1.405 -4.386) 5.745 23.395 ( 4.031 -1.153 4.147) 5.897 23.395 ( 4.031 1.153 4.147) 5.897 23.982 ( -1.914 -1.378 1.295) 2.691 23.982 ( -1.914 1.378 1.295) 2.691 24.071 ( 1.307 -1.740 -0.782) 2.312 24.071 ( 1.307 1.740 -0.782) 2.312 24.243 ( -0.541 -0.755 -0.570) 1.089 24.243 ( -0.541 0.755 -0.570) 1.089 24.648 ( 1.004 -2.069 -2.515) 3.408 24.648 ( 1.004 2.069 -2.515) 3.408 24.681 ( -0.713 -1.167 2.169) 2.564 24.681 ( -0.713 1.167 2.169) 2.564 24.783 ( -1.609 -1.654 -0.889) 2.473 24.783 ( -1.609 1.654 -0.889) 2.473 25.203 ( -1.881 -0.970 -0.625) 2.206 25.203 ( -1.881 0.970 -0.625) 2.206 ======================= Grid point 163 (79/80) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 4.048 -1.551 4.447) 6.211 1.648 ( 4.048 1.551 4.447) 6.211 1.811 ( -5.220 -6.799 6.059) 10.497 1.811 ( -5.220 6.799 6.059) 10.497 2.124 ( 3.084 -3.091 -4.621) 6.358 2.124 ( 3.084 3.091 -4.621) 6.358 2.143 ( 1.775 -3.193 -1.009) 3.790 2.143 ( 1.775 3.193 -1.009) 3.790 2.226 ( 0.431 -3.641 -2.443) 4.405 2.226 ( 0.431 3.641 -2.443) 4.405 2.378 ( -3.897 -2.921 3.449) 5.967 2.378 ( -3.897 2.921 3.449) 5.967 2.712 ( 3.272 -3.335 0.561) 4.705 2.712 ( 3.272 3.335 0.561) 4.705 2.747 ( 4.521 -5.361 1.299) 7.132 2.747 ( 4.521 5.361 1.299) 7.132 2.875 ( 3.404 -5.006 1.678) 6.282 2.875 ( 3.404 5.006 1.678) 6.282 3.052 ( 3.535 -5.862 3.524) 7.699 3.052 ( 3.535 5.862 3.524) 7.699 3.316 ( 0.453 -3.290 1.232) 3.542 3.316 ( 0.453 3.290 1.232) 3.542 3.369 ( -2.346 -2.076 -0.783) 3.229 3.369 ( -2.346 2.076 -0.783) 3.229 3.492 ( 2.148 -2.648 1.486) 3.719 3.492 ( 2.148 2.648 1.486) 3.719 3.575 ( 3.528 -2.559 -2.433) 4.991 3.575 ( 3.528 2.559 -2.433) 4.991 3.682 ( 1.067 -2.278 -1.501) 2.929 3.682 ( 1.067 2.278 -1.501) 2.929 3.812 ( -2.287 -3.994 -2.966) 5.475 3.812 ( -2.287 3.994 -2.966) 5.475 3.895 ( 1.994 -1.137 2.322) 3.265 3.895 ( 1.994 1.137 2.322) 3.265 4.030 ( 4.380 -4.217 -0.286) 6.086 4.030 ( 4.380 4.217 -0.286) 6.086 4.234 ( 4.196 -7.969 -3.184) 9.552 4.234 ( 4.196 7.969 -3.184) 9.552 4.388 ( -0.395 -1.558 0.431) 1.663 4.388 ( -0.395 1.558 0.431) 1.664 4.452 ( -3.615 -5.949 3.008) 7.583 4.452 ( -3.615 5.949 3.008) 7.583 4.588 ( -4.305 -4.979 -0.642) 6.613 4.588 ( -4.305 4.979 -0.642) 6.613 4.632 ( 2.005 -4.324 3.493) 5.909 4.632 ( 2.005 4.324 3.493) 5.909 4.818 ( 4.901 -7.150 0.749) 8.701 4.818 ( 4.901 7.150 0.749) 8.701 4.893 ( 2.223 -5.015 -1.717) 5.748 4.893 ( 2.223 5.015 -1.717) 5.748 5.040 ( -2.074 -3.176 0.110) 3.795 5.040 ( -2.074 3.176 0.110) 3.795 5.166 ( 1.200 -3.108 2.636) 4.248 5.166 ( 1.200 3.108 2.636) 4.248 5.312 ( 0.425 -3.167 -0.745) 3.282 5.312 ( 0.425 3.167 -0.745) 3.282 5.481 ( 3.354 -2.724 3.677) 5.674 5.481 ( 3.354 2.724 3.677) 5.674 5.750 ( 0.729 -6.790 -6.975) 9.762 5.750 ( 0.729 6.790 -6.975) 9.762 5.857 ( -8.351 -1.967 -3.244) 9.173 5.857 ( -8.351 1.967 -3.244) 9.173 5.984 ( -13.077 -6.912 -3.851) 15.284 5.984 ( -13.077 6.912 -3.851) 15.284 6.176 ( -1.037 -3.712 -0.997) 3.981 6.176 ( -1.037 3.712 -0.997) 3.981 6.342 ( -0.572 -2.328 -0.395) 2.430 6.342 ( -0.572 2.328 -0.395) 2.430 6.590 ( -2.480 -3.422 -1.920) 4.642 6.590 ( -2.480 3.422 -1.920) 4.642 6.854 ( -2.171 -2.336 2.677) 4.164 6.854 ( -2.171 2.336 2.677) 4.164 7.237 ( 2.936 -1.985 -0.926) 3.662 7.237 ( 2.936 1.985 -0.926) 3.662 7.339 ( 3.591 -5.980 2.848) 7.535 7.339 ( 3.591 5.980 2.848) 7.535 7.539 ( -0.552 -3.305 2.719) 4.315 7.539 ( -0.552 3.305 2.719) 4.315 7.723 ( -1.673 -6.599 -5.934) 9.031 7.723 ( -1.673 6.599 -5.934) 9.031 7.972 ( 3.593 -5.454 2.892) 7.143 7.972 ( 3.593 5.454 2.892) 7.143 8.153 ( -0.078 -2.453 1.232) 2.745 8.153 ( -0.078 2.453 1.232) 2.745 8.352 ( 0.323 -2.908 -4.573) 5.429 8.352 ( 0.323 2.908 -4.573) 5.429 8.521 ( 4.294 -3.375 2.534) 6.021 8.521 ( 4.294 3.375 2.534) 6.021 8.813 ( -2.491 -2.461 -3.047) 4.642 8.813 ( -2.491 2.461 -3.047) 4.642 8.947 ( 3.246 -3.190 -0.941) 4.647 8.947 ( 3.246 3.190 -0.941) 4.647 9.162 ( -0.433 -3.034 1.990) 3.654 9.162 ( -0.433 3.034 1.990) 3.654 9.501 ( 1.588 -1.492 3.538) 4.155 9.501 ( 1.588 1.492 3.538) 4.155 9.593 ( 3.772 -1.797 2.366) 4.802 9.593 ( 3.772 1.797 2.366) 4.802 9.808 ( -0.846 -0.845 -0.781) 1.428 9.808 ( -0.846 0.845 -0.781) 1.428 10.006 ( 2.672 -1.603 1.171) 3.328 10.006 ( 2.672 1.603 1.171) 3.328 10.210 ( -6.267 -1.274 -3.537) 7.308 10.210 ( -6.267 1.274 -3.537) 7.308 10.438 ( 0.989 -1.818 4.250) 4.727 10.438 ( 0.989 1.818 4.250) 4.727 10.505 ( 2.717 -2.017 -2.755) 4.363 10.505 ( 2.717 2.017 -2.755) 4.363 10.857 ( -7.808 -2.721 -0.923) 8.320 10.857 ( -7.808 2.721 -0.923) 8.320 11.046 ( -9.462 -2.201 -0.735) 9.742 11.046 ( -9.462 2.201 -0.735) 9.742 11.420 ( 0.197 -2.072 -2.244) 3.060 11.420 ( 0.197 2.072 -2.244) 3.060 11.555 ( -0.969 -4.592 0.127) 4.695 11.555 ( -0.969 4.592 0.127) 4.695 12.020 ( 2.191 -7.100 -0.022) 7.430 12.020 ( 2.191 7.100 -0.022) 7.430 12.328 ( -4.627 -5.317 1.270) 7.162 12.328 ( -4.627 5.317 1.270) 7.162 12.567 ( 6.112 -1.303 0.354) 6.260 12.567 ( 6.112 1.303 0.354) 6.260 12.687 ( 0.881 -1.117 1.124) 1.812 12.687 ( 0.881 1.117 1.124) 1.812 13.084 ( -0.299 -1.999 1.164) 2.333 13.084 ( -0.299 1.999 1.164) 2.333 13.435 ( -1.865 -3.552 -2.941) 4.974 13.435 ( -1.865 3.552 -2.941) 4.974 13.751 ( 3.330 -0.788 -3.055) 4.587 13.751 ( 3.330 0.788 -3.055) 4.587 14.250 ( -1.249 -1.480 1.658) 2.550 14.250 ( -1.249 1.480 1.658) 2.550 14.555 ( 2.289 -6.375 4.929) 8.376 14.555 ( 2.289 6.375 4.929) 8.376 14.865 ( 2.731 -4.985 0.311) 5.692 14.865 ( 2.731 4.985 0.311) 5.692 15.371 ( -0.592 -1.410 -1.535) 2.166 15.371 ( -0.592 1.410 -1.535) 2.166 15.586 ( -1.482 -1.066 -3.512) 3.958 15.586 ( -1.482 1.066 -3.512) 3.958 15.785 ( 0.938 -0.265 0.240) 1.003 15.785 ( 0.938 0.265 0.240) 1.003 16.300 ( 0.407 -0.712 1.042) 1.326 16.300 ( 0.407 0.712 1.042) 1.326 16.926 ( 0.107 -0.545 0.105) 0.565 16.926 ( 0.107 0.545 0.105) 0.565 17.644 ( -0.113 -0.159 0.062) 0.204 17.644 ( -0.113 0.159 0.062) 0.204 20.990 ( 0.951 -1.127 -1.082) 1.829 20.990 ( 0.951 1.127 -1.082) 1.829 21.162 ( 0.681 -0.965 0.237) 1.204 21.162 ( 0.681 0.965 0.237) 1.205 22.081 ( 0.776 -2.365 1.497) 2.905 22.081 ( 0.776 2.365 1.497) 2.905 22.142 ( 0.434 -0.698 1.157) 1.420 22.142 ( 0.434 0.698 1.157) 1.420 22.252 ( -0.489 -3.250 -1.673) 3.688 22.252 ( -0.489 3.250 -1.673) 3.688 22.759 ( 3.083 -1.935 0.760) 3.719 22.759 ( 3.083 1.935 0.760) 3.719 22.836 ( -1.240 -2.554 2.652) 3.885 22.836 ( -1.240 2.554 2.652) 3.885 23.025 ( -1.978 -0.898 -2.848) 3.582 23.025 ( -1.978 0.898 -2.848) 3.582 23.487 ( 2.457 -0.674 2.257) 3.403 23.487 ( 2.457 0.674 2.257) 3.403 23.968 ( -1.472 -1.800 1.916) 3.014 23.968 ( -1.472 1.800 1.916) 3.014 24.080 ( 0.809 -2.299 -1.098) 2.673 24.080 ( 0.809 2.299 -1.098) 2.673 24.228 ( -0.415 -0.849 -0.500) 1.069 24.228 ( -0.415 0.849 -0.500) 1.069 24.640 ( 1.235 -1.768 -2.741) 3.488 24.640 ( 1.235 1.768 -2.741) 3.488 24.676 ( -2.131 -2.166 1.544) 3.408 24.676 ( -2.131 2.166 1.544) 3.408 24.755 ( -0.410 -1.876 -0.265) 1.939 24.755 ( -0.410 1.876 -0.265) 1.939 25.160 ( -1.905 -1.171 -0.702) 2.344 25.160 ( -1.905 1.171 -0.702) 2.344 ======================= Grid point 165 (80/80) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 0.000 0.000 -0.000) 0.000 1.722 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 -0.000) 0.000 1.798 ( 0.000 -0.000 0.000) 0.000 2.109 ( 0.000 0.000 -0.000) 0.000 2.109 ( 0.000 0.000 0.000) 0.000 2.145 ( 0.000 -0.000 -0.000) 0.000 2.145 ( 0.000 0.000 -0.000) 0.000 2.212 ( 0.000 -0.000 -0.000) 0.000 2.212 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 -0.000) 0.000 2.360 ( 0.000 0.000 -0.000) 0.000 2.737 ( 0.000 0.000 -0.000) 0.000 2.737 ( 0.000 0.000 -0.000) 0.000 2.856 ( 0.000 0.000 -0.000) 0.000 2.856 ( 0.000 0.000 -0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 -0.000 0.000) 0.000 3.164 ( 0.000 0.000 -0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 -0.000) 0.000 3.251 ( 0.000 0.000 -0.000) 0.000 3.322 ( 0.000 0.000 -0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.521 ( 0.000 0.000 -0.000) 0.000 3.521 ( 0.000 0.000 -0.000) 0.000 3.612 ( 0.000 0.000 -0.000) 0.000 3.612 ( 0.000 0.000 -0.000) 0.000 3.699 ( 0.000 -0.000 -0.000) 0.000 3.699 ( 0.000 0.000 -0.000) 0.000 3.750 ( 0.000 0.000 -0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 -0.000) 0.000 3.981 ( 0.000 0.000 -0.000) 0.000 4.082 ( 0.000 0.000 -0.000) 0.000 4.082 ( 0.000 0.000 -0.000) 0.000 4.288 ( -0.000 -0.000 -0.000) 0.000 4.288 ( -0.000 0.000 0.000) 0.000 4.301 ( -0.000 0.000 -0.000) 0.000 4.301 ( 0.000 0.000 -0.000) 0.000 4.440 ( 0.000 0.000 -0.000) 0.000 4.440 ( 0.000 0.000 -0.000) 0.000 4.527 ( 0.000 0.000 -0.000) 0.000 4.527 ( 0.000 0.000 -0.000) 0.000 4.742 ( -0.000 0.000 -0.000) 0.000 4.742 ( -0.000 0.000 -0.000) 0.000 4.772 ( 0.000 0.000 0.000) 0.000 4.772 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 -0.000) 0.000 4.972 ( 0.000 0.000 -0.000) 0.000 5.012 ( -0.000 -0.000 -0.000) 0.000 5.012 ( -0.000 0.000 -0.000) 0.000 5.235 ( -0.000 0.000 -0.000) 0.000 5.235 ( 0.000 -0.000 0.000) 0.000 5.238 ( -0.000 0.000 -0.000) 0.000 5.238 ( 0.000 0.000 0.000) 0.000 5.610 ( -0.000 0.000 -0.000) 0.000 5.610 ( 0.000 0.000 -0.000) 0.000 5.641 ( -0.000 0.000 -0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 5.765 ( -0.000 -0.000 -0.000) 0.000 5.765 ( 0.000 0.000 -0.000) 0.000 5.842 ( 0.000 0.000 -0.000) 0.000 5.842 ( 0.000 0.000 -0.000) 0.000 6.166 ( 0.000 0.000 -0.000) 0.000 6.166 ( 0.000 0.000 -0.000) 0.000 6.341 ( 0.000 0.000 -0.000) 0.000 6.341 ( 0.000 0.000 0.000) 0.000 6.555 ( 0.000 0.000 -0.000) 0.000 6.555 ( 0.000 0.000 -0.000) 0.000 6.845 ( 0.000 -0.000 -0.000) 0.000 6.845 ( 0.000 0.000 -0.000) 0.000 7.271 ( 0.000 0.000 -0.000) 0.000 7.271 ( 0.000 0.000 -0.000) 0.000 7.390 ( -0.000 0.000 -0.000) 0.000 7.390 ( 0.000 0.000 -0.000) 0.000 7.567 ( -0.000 0.000 -0.000) 0.000 7.567 ( 0.000 0.000 0.000) 0.000 7.627 ( 0.000 0.000 -0.000) 0.000 7.627 ( 0.000 0.000 0.000) 0.000 8.063 ( -0.000 0.000 -0.000) 0.000 8.063 ( 0.000 0.000 -0.000) 0.000 8.140 ( 0.000 0.000 -0.000) 0.000 8.140 ( 0.000 0.000 -0.000) 0.000 8.323 ( 0.000 0.000 -0.000) 0.000 8.323 ( 0.000 0.000 -0.000) 0.000 8.597 ( -0.000 -0.000 -0.000) 0.000 8.597 ( 0.000 0.000 -0.000) 0.000 8.750 ( 0.000 0.000 -0.000) 0.000 8.750 ( 0.000 0.000 -0.000) 0.000 8.977 ( 0.000 0.000 -0.000) 0.000 8.977 ( 0.000 0.000 -0.000) 0.000 9.171 ( 0.000 0.000 -0.000) 0.000 9.171 ( 0.000 0.000 -0.000) 0.000 9.512 ( 0.000 0.000 -0.000) 0.000 9.512 ( 0.000 0.000 -0.000) 0.000 9.684 ( -0.000 0.000 -0.000) 0.000 9.684 ( 0.000 0.000 -0.000) 0.000 9.773 ( 0.000 0.000 -0.000) 0.000 9.773 ( 0.000 0.000 -0.000) 0.000 10.076 ( -0.000 0.000 -0.000) 0.000 10.076 ( 0.000 0.000 0.000) 0.000 10.092 ( 0.000 0.000 -0.000) 0.000 10.092 ( 0.000 0.000 0.000) 0.000 10.484 ( 0.000 0.000 -0.000) 0.000 10.484 ( 0.000 0.000 -0.000) 0.000 10.509 ( 0.000 0.000 -0.000) 0.000 10.509 ( -0.000 0.000 0.000) 0.000 10.781 ( 0.000 0.000 -0.000) 0.000 10.781 ( 0.000 0.000 -0.000) 0.000 10.945 ( 0.000 0.000 -0.000) 0.000 10.945 ( 0.000 -0.000 0.000) 0.000 11.408 ( 0.000 0.000 -0.000) 0.000 11.408 ( 0.000 0.000 -0.000) 0.000 11.546 ( 0.000 0.000 -0.000) 0.000 11.546 ( 0.000 0.000 -0.000) 0.000 12.050 ( 0.000 0.000 -0.000) 0.000 12.050 ( 0.000 0.000 -0.000) 0.000 12.282 ( 0.000 0.000 -0.000) 0.000 12.282 ( 0.000 0.000 -0.000) 0.000 12.620 ( 0.000 0.000 -0.000) 0.000 12.620 ( 0.000 0.000 0.000) 0.000 12.710 ( 0.000 0.000 -0.000) 0.000 12.710 ( 0.000 0.000 0.000) 0.000 13.087 ( 0.000 0.000 -0.000) 0.000 13.087 ( 0.000 0.000 -0.000) 0.000 13.394 ( 0.000 0.000 -0.000) 0.000 13.394 ( 0.000 0.000 -0.000) 0.000 13.775 ( 0.000 0.000 -0.000) 0.000 13.775 ( 0.000 0.000 -0.000) 0.000 14.233 ( 0.000 0.000 -0.000) 0.000 14.233 ( 0.000 0.000 -0.000) 0.000 14.613 ( 0.000 0.000 -0.000) 0.000 14.613 ( 0.000 0.000 0.000) 0.000 14.902 ( -0.000 0.000 -0.000) 0.000 14.902 ( 0.000 0.000 -0.000) 0.000 15.342 ( 0.000 0.000 -0.000) 0.000 15.342 ( 0.000 0.000 -0.000) 0.000 15.556 ( 0.000 0.000 -0.000) 0.000 15.556 ( 0.000 0.000 -0.000) 0.000 15.796 ( 0.000 0.000 -0.000) 0.000 15.796 ( 0.000 0.000 -0.000) 0.000 16.309 ( 0.000 0.000 -0.000) 0.000 16.309 ( 0.000 0.000 -0.000) 0.000 16.928 ( 0.000 0.000 -0.000) 0.000 16.928 ( 0.000 0.000 -0.000) 0.000 17.643 ( 0.000 0.000 -0.000) 0.000 17.643 ( 0.000 0.000 -0.000) 0.000 20.993 ( 0.000 0.000 -0.000) 0.000 20.993 ( 0.000 0.000 -0.000) 0.000 21.169 ( 0.000 0.000 -0.000) 0.000 21.169 ( 0.000 0.000 -0.000) 0.000 22.102 ( 0.000 0.000 -0.000) 0.000 22.102 ( 0.000 0.000 -0.000) 0.000 22.147 ( 0.000 0.000 -0.000) 0.000 22.147 ( 0.000 0.000 -0.000) 0.000 22.239 ( 0.000 0.000 -0.000) 0.000 22.239 ( 0.000 0.000 -0.000) 0.000 22.799 ( 0.000 0.000 -0.000) 0.000 22.799 ( -0.000 -0.000 0.000) 0.000 22.833 ( 0.000 0.000 -0.000) 0.000 22.833 ( -0.000 0.000 0.000) 0.000 22.994 ( 0.000 0.000 -0.000) 0.000 22.994 ( 0.000 0.000 -0.000) 0.000 23.520 ( 0.000 0.000 -0.000) 0.000 23.520 ( 0.000 0.000 -0.000) 0.000 23.967 ( 0.000 0.000 -0.000) 0.000 23.967 ( -0.000 0.000 0.000) 0.000 24.080 ( 0.000 0.000 -0.000) 0.000 24.080 ( 0.000 0.000 0.000) 0.000 24.221 ( 0.000 0.000 -0.000) 0.000 24.221 ( 0.000 0.000 0.000) 0.000 24.636 ( 0.000 0.000 -0.000) 0.000 24.636 ( 0.000 0.000 -0.000) 0.000 24.661 ( 0.000 0.000 -0.000) 0.000 24.661 ( -0.000 0.000 0.000) 0.000 24.754 ( 0.000 0.000 -0.000) 0.000 24.754 ( 0.000 0.000 -0.000) 0.000 25.138 ( 0.000 0.000 -0.000) 0.000 25.138 ( 0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/38880 10.0 287.938 257.169 330.347 0.000 -46.332 0.000 3/38880 20.0 39.527 37.057 44.744 0.000 -7.945 0.000 3/38880 30.0 15.173 13.733 16.827 0.000 -2.871 0.000 3/38880 40.0 8.591 7.649 9.374 0.000 -1.498 0.000 3/38880 50.0 5.858 5.183 6.321 0.000 -0.952 0.000 3/38880 60.0 4.418 3.905 4.730 0.000 -0.678 0.000 3/38880 70.0 3.541 3.133 3.769 0.000 -0.519 0.000 3/38880 80.0 2.954 2.618 3.131 0.000 -0.417 0.000 3/38880 90.0 2.535 2.251 2.677 0.000 -0.347 0.000 3/38880 100.0 2.220 1.975 2.339 0.000 -0.297 0.000 3/38880 110.0 1.976 1.761 2.078 0.000 -0.259 0.000 3/38880 120.0 1.782 1.590 1.870 0.000 -0.229 0.000 3/38880 130.0 1.623 1.450 1.701 0.000 -0.205 0.000 3/38880 140.0 1.491 1.334 1.561 0.000 -0.186 0.000 3/38880 150.0 1.379 1.236 1.443 0.000 -0.170 0.000 3/38880 160.0 1.284 1.152 1.343 0.000 -0.157 0.000 3/38880 170.0 1.201 1.079 1.256 0.000 -0.145 0.000 3/38880 180.0 1.129 1.015 1.180 0.000 -0.136 0.000 3/38880 190.0 1.065 0.959 1.113 0.000 -0.127 0.000 3/38880 200.0 1.009 0.909 1.054 0.000 -0.120 0.000 3/38880 210.0 0.958 0.864 1.002 0.000 -0.113 0.000 3/38880 220.0 0.913 0.824 0.954 0.000 -0.107 0.000 3/38880 230.0 0.871 0.788 0.911 0.000 -0.102 0.000 3/38880 240.0 0.834 0.755 0.872 0.000 -0.097 0.000 3/38880 250.0 0.799 0.724 0.837 0.000 -0.093 0.000 3/38880 260.0 0.768 0.696 0.804 0.000 -0.089 0.000 3/38880 270.0 0.739 0.671 0.774 0.000 -0.086 0.000 3/38880 280.0 0.712 0.647 0.746 0.000 -0.082 0.000 3/38880 290.0 0.687 0.625 0.721 0.000 -0.079 0.000 3/38880 300.0 0.664 0.604 0.697 0.000 -0.077 0.000 3/38880 310.0 0.642 0.585 0.674 0.000 -0.074 0.000 3/38880 320.0 0.622 0.567 0.654 0.000 -0.072 0.000 3/38880 330.0 0.603 0.550 0.634 0.000 -0.069 0.000 3/38880 340.0 0.585 0.534 0.616 0.000 -0.067 0.000 3/38880 350.0 0.569 0.520 0.598 0.000 -0.065 0.000 3/38880 360.0 0.553 0.505 0.582 0.000 -0.064 0.000 3/38880 370.0 0.538 0.492 0.567 0.000 -0.062 0.000 3/38880 380.0 0.524 0.479 0.552 0.000 -0.060 0.000 3/38880 390.0 0.510 0.467 0.538 0.000 -0.059 0.000 3/38880 400.0 0.498 0.456 0.525 0.000 -0.057 0.000 3/38880 410.0 0.486 0.445 0.512 0.000 -0.056 0.000 3/38880 420.0 0.474 0.435 0.501 0.000 -0.055 0.000 3/38880 430.0 0.463 0.425 0.489 0.000 -0.053 0.000 3/38880 440.0 0.453 0.416 0.478 0.000 -0.052 0.000 3/38880 450.0 0.443 0.407 0.468 0.000 -0.051 0.000 3/38880 460.0 0.433 0.398 0.458 0.000 -0.050 0.000 3/38880 470.0 0.424 0.390 0.449 0.000 -0.049 0.000 3/38880 480.0 0.415 0.382 0.439 0.000 -0.048 0.000 3/38880 490.0 0.407 0.374 0.431 0.000 -0.047 0.000 3/38880 500.0 0.399 0.367 0.422 0.000 -0.046 0.000 3/38880 510.0 0.391 0.360 0.414 0.000 -0.045 0.000 3/38880 520.0 0.384 0.353 0.406 0.000 -0.044 0.000 3/38880 530.0 0.376 0.347 0.399 0.000 -0.043 0.000 3/38880 540.0 0.369 0.340 0.392 0.000 -0.043 0.000 3/38880 550.0 0.363 0.334 0.385 0.000 -0.042 0.000 3/38880 560.0 0.356 0.329 0.378 0.000 -0.041 0.000 3/38880 570.0 0.350 0.323 0.372 0.000 -0.040 0.000 3/38880 580.0 0.344 0.318 0.365 0.000 -0.040 0.000 3/38880 590.0 0.338 0.312 0.359 0.000 -0.039 0.000 3/38880 600.0 0.333 0.307 0.353 0.000 -0.038 0.000 3/38880 610.0 0.327 0.302 0.348 0.000 -0.038 0.000 3/38880 620.0 0.322 0.297 0.342 0.000 -0.037 0.000 3/38880 630.0 0.317 0.293 0.337 0.000 -0.037 0.000 3/38880 640.0 0.312 0.288 0.332 0.000 -0.036 0.000 3/38880 650.0 0.307 0.284 0.327 0.000 -0.036 0.000 3/38880 660.0 0.303 0.280 0.322 0.000 -0.035 0.000 3/38880 670.0 0.298 0.276 0.317 0.000 -0.034 0.000 3/38880 680.0 0.294 0.272 0.313 0.000 -0.034 0.000 3/38880 690.0 0.290 0.268 0.308 0.000 -0.034 0.000 3/38880 700.0 0.286 0.264 0.304 0.000 -0.033 0.000 3/38880 710.0 0.282 0.260 0.300 0.000 -0.033 0.000 3/38880 720.0 0.278 0.257 0.296 0.000 -0.032 0.000 3/38880 730.0 0.274 0.253 0.292 0.000 -0.032 0.000 3/38880 740.0 0.270 0.250 0.288 0.000 -0.031 0.000 3/38880 750.0 0.267 0.247 0.284 0.000 -0.031 0.000 3/38880 760.0 0.263 0.244 0.280 0.000 -0.030 0.000 3/38880 770.0 0.260 0.241 0.277 0.000 -0.030 0.000 3/38880 780.0 0.257 0.237 0.273 0.000 -0.030 0.000 3/38880 790.0 0.253 0.235 0.270 0.000 -0.029 0.000 3/38880 800.0 0.250 0.232 0.266 0.000 -0.029 0.000 3/38880 810.0 0.247 0.229 0.263 0.000 -0.029 0.000 3/38880 820.0 0.244 0.226 0.260 0.000 -0.028 0.000 3/38880 830.0 0.241 0.223 0.257 0.000 -0.028 0.000 3/38880 840.0 0.238 0.221 0.254 0.000 -0.028 0.000 3/38880 850.0 0.236 0.218 0.251 0.000 -0.027 0.000 3/38880 860.0 0.233 0.216 0.248 0.000 -0.027 0.000 3/38880 870.0 0.230 0.213 0.245 0.000 -0.027 0.000 3/38880 880.0 0.228 0.211 0.243 0.000 -0.026 0.000 3/38880 890.0 0.225 0.209 0.240 0.000 -0.026 0.000 3/38880 900.0 0.223 0.206 0.237 0.000 -0.026 0.000 3/38880 910.0 0.220 0.204 0.235 0.000 -0.026 0.000 3/38880 920.0 0.218 0.202 0.232 0.000 -0.025 0.000 3/38880 930.0 0.215 0.200 0.230 0.000 -0.025 0.000 3/38880 940.0 0.213 0.198 0.227 0.000 -0.025 0.000 3/38880 950.0 0.211 0.196 0.225 0.000 -0.024 0.000 3/38880 960.0 0.209 0.194 0.223 0.000 -0.024 0.000 3/38880 970.0 0.207 0.192 0.220 0.000 -0.024 0.000 3/38880 980.0 0.204 0.190 0.218 0.000 -0.024 0.000 3/38880 990.0 0.202 0.188 0.216 0.000 -0.023 0.000 3/38880 1000.0 0.200 0.186 0.214 0.000 -0.023 0.000 3/38880 Thermal conductivity related properties were written into "kappa-m666.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:01:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|