----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:29:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 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 9.771566730042826 0.000000000000000 0.000000000000000 b 0.000000000000000 5.494399580000001 0.000000000000000 c -9.503661535968307 0.000000000000000 14.079457456893378 Atomic positions (fractional): *1 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 *2 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 *3 Ca 0.21370868321858 0.00318375466095 0.22878960389814 40.078 *4 Ca 0.45347030002048 0.51999047748371 0.60517895173772 40.078 *5 Ca 0.87676607571844 0.48165329974572 0.07150370997261 40.078 6 Ca 0.12323392428156 0.98165329974572 0.42849629002739 40.078 7 Ca 0.54652969997951 0.01999047748371 0.89482104826228 40.078 8 Ca 0.78629131678142 0.50318375466095 0.27121039610186 40.078 9 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 10 Ca 0.21370868321858 0.49681624533905 0.72878960389814 40.078 11 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 12 Ca 0.45347030002048 0.98000952251629 0.10517895173772 40.078 13 Ca 0.87676607571844 0.01834670025428 0.57150370997261 40.078 14 Ca 0.12323392428156 0.51834670025428 0.92849629002739 40.078 15 Ca 0.54652969997951 0.48000952251629 0.39482104826228 40.078 16 Ca 0.78629131678142 0.99681624533905 0.77121039610186 40.078 *17 Ta 0.67406139502241 0.50858565338855 0.83577042697718 180.948 *18 Ta 0.16809247101476 0.48988610263640 0.33599094042118 180.948 19 Ta 0.32593860497760 0.00858565338855 0.66422957302282 180.948 20 Ta 0.83190752898524 0.98988610263640 0.16400905957882 180.948 21 Ta 0.16809247101476 0.01011389736360 0.83599094042118 180.948 22 Ta 0.67406139502241 0.99141434661145 0.33577042697718 180.948 23 Ta 0.83190752898524 0.51011389736360 0.66400905957882 180.948 24 Ta 0.32593860497760 0.49141434661145 0.16422957302282 180.948 *25 O 0.72299030350055 0.40676481696748 0.73465692584321 15.999 *26 O 0.87983864150131 0.67930625479488 0.89851883956995 15.999 *27 O 0.30268697320712 0.20149559879523 0.37040011011470 15.999 *28 O 0.32865763181416 0.67082165430112 0.44797201564112 15.999 *29 O 0.76367924746573 0.20831693730257 0.90398164965227 15.999 *30 O 0.94438325850658 0.87950477704521 0.10681942751763 15.999 *31 O 0.37654662564308 0.11782063774191 0.57524437302417 15.999 *32 O 0.54607570698825 0.80251310262654 0.74980005438420 15.999 *33 O 0.97985039880143 0.29177431411495 0.21741865885052 15.999 34 O 0.02014960119857 0.79177431411495 0.28258134114949 15.999 35 O 0.45392429301175 0.30251310262654 0.75019994561580 15.999 36 O 0.62345337435692 0.61782063774191 0.92475562697583 15.999 37 O 0.05561674149342 0.37950477704521 0.39318057248236 15.999 38 O 0.23632075253427 0.70831693730257 0.59601835034773 15.999 39 O 0.67134236818584 0.17082165430112 0.05202798435888 15.999 40 O 0.69731302679288 0.70149559879523 0.12959988988529 15.999 41 O 0.12016135849869 0.17930625479488 0.60148116043005 15.999 42 O 0.27700969649945 0.90676481696748 0.76534307415679 15.999 43 O 0.72299030350055 0.09323518303252 0.23465692584321 15.999 44 O 0.87983864150131 0.82069374520512 0.39851883956995 15.999 45 O 0.30268697320712 0.29850440120477 0.87040011011470 15.999 46 O 0.32865763181416 0.82917834569888 0.94797201564112 15.999 47 O 0.76367924746573 0.29168306269743 0.40398164965227 15.999 48 O 0.94438325850658 0.62049522295479 0.60681942751764 15.999 49 O 0.37654662564308 0.38217936225809 0.07524437302417 15.999 50 O 0.54607570698825 0.69748689737346 0.24980005438420 15.999 51 O 0.97985039880143 0.20822568588505 0.71741865885052 15.999 52 O 0.02014960119857 0.70822568588505 0.78258134114948 15.999 53 O 0.45392429301175 0.19748689737346 0.25019994561580 15.999 54 O 0.62345337435692 0.88217936225809 0.42475562697583 15.999 55 O 0.05561674149342 0.12049522295479 0.89318057248236 15.999 56 O 0.23632075253427 0.79168306269743 0.09601835034773 15.999 57 O 0.67134236818584 0.32917834569888 0.55202798435888 15.999 58 O 0.69731302679288 0.79850440120477 0.62959988988530 15.999 59 O 0.12016135849869 0.32069374520512 0.10148116043005 15.999 60 O 0.27700969649945 0.59323518303252 0.26534307415679 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.771566730042826 0.000000000000000 0.000000000000000 b 0.000000000000000 5.494399580000001 0.000000000000000 c -9.503661535968307 0.000000000000000 14.079457456893378 Atomic positions (fractional): *1 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 1 *2 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 2 *3 Ca 0.21370868321858 0.00318375466095 0.22878960389814 40.078 > 3 *4 Ca 0.45347030002048 0.51999047748371 0.60517895173772 40.078 > 4 *5 Ca 0.87676607571844 0.48165329974572 0.07150370997261 40.078 > 5 6 Ca 0.12323392428156 0.98165329974572 0.42849629002739 40.078 > 6 7 Ca 0.54652969997951 0.01999047748371 0.89482104826228 40.078 > 7 8 Ca 0.78629131678142 0.50318375466095 0.27121039610186 40.078 > 8 9 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 9 10 Ca 0.21370868321858 0.49681624533905 0.72878960389814 40.078 > 10 11 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 11 12 Ca 0.45347030002048 0.98000952251629 0.10517895173772 40.078 > 12 13 Ca 0.87676607571844 0.01834670025428 0.57150370997261 40.078 > 13 14 Ca 0.12323392428156 0.51834670025428 0.92849629002739 40.078 > 14 15 Ca 0.54652969997951 0.48000952251629 0.39482104826228 40.078 > 15 16 Ca 0.78629131678142 0.99681624533905 0.77121039610186 40.078 > 16 *17 Ta 0.67406139502241 0.50858565338855 0.83577042697718 180.948 > 17 *18 Ta 0.16809247101476 0.48988610263640 0.33599094042118 180.948 > 18 19 Ta 0.32593860497760 0.00858565338855 0.66422957302282 180.948 > 19 20 Ta 0.83190752898524 0.98988610263640 0.16400905957882 180.948 > 20 21 Ta 0.16809247101476 0.01011389736360 0.83599094042118 180.948 > 21 22 Ta 0.67406139502241 0.99141434661145 0.33577042697718 180.948 > 22 23 Ta 0.83190752898524 0.51011389736360 0.66400905957882 180.948 > 23 24 Ta 0.32593860497760 0.49141434661145 0.16422957302282 180.948 > 24 *25 O 0.72299030350055 0.40676481696748 0.73465692584321 15.999 > 25 *26 O 0.87983864150131 0.67930625479488 0.89851883956995 15.999 > 26 *27 O 0.30268697320712 0.20149559879523 0.37040011011470 15.999 > 27 *28 O 0.32865763181416 0.67082165430112 0.44797201564112 15.999 > 28 *29 O 0.76367924746573 0.20831693730257 0.90398164965227 15.999 > 29 *30 O 0.94438325850658 0.87950477704521 0.10681942751763 15.999 > 30 *31 O 0.37654662564308 0.11782063774191 0.57524437302417 15.999 > 31 *32 O 0.54607570698825 0.80251310262654 0.74980005438420 15.999 > 32 *33 O 0.97985039880143 0.29177431411495 0.21741865885052 15.999 > 33 34 O 0.02014960119857 0.79177431411495 0.28258134114949 15.999 > 34 35 O 0.45392429301175 0.30251310262654 0.75019994561580 15.999 > 35 36 O 0.62345337435692 0.61782063774191 0.92475562697583 15.999 > 36 37 O 0.05561674149342 0.37950477704521 0.39318057248236 15.999 > 37 38 O 0.23632075253427 0.70831693730257 0.59601835034773 15.999 > 38 39 O 0.67134236818584 0.17082165430112 0.05202798435888 15.999 > 39 40 O 0.69731302679288 0.70149559879523 0.12959988988529 15.999 > 40 41 O 0.12016135849869 0.17930625479488 0.60148116043005 15.999 > 41 42 O 0.27700969649945 0.90676481696748 0.76534307415679 15.999 > 42 43 O 0.72299030350055 0.09323518303252 0.23465692584321 15.999 > 43 44 O 0.87983864150131 0.82069374520512 0.39851883956995 15.999 > 44 45 O 0.30268697320712 0.29850440120477 0.87040011011470 15.999 > 45 46 O 0.32865763181416 0.82917834569888 0.94797201564112 15.999 > 46 47 O 0.76367924746573 0.29168306269743 0.40398164965227 15.999 > 47 48 O 0.94438325850658 0.62049522295479 0.60681942751764 15.999 > 48 49 O 0.37654662564308 0.38217936225809 0.07524437302417 15.999 > 49 50 O 0.54607570698825 0.69748689737346 0.24980005438420 15.999 > 50 51 O 0.97985039880143 0.20822568588505 0.71741865885052 15.999 > 51 52 O 0.02014960119857 0.70822568588505 0.78258134114948 15.999 > 52 53 O 0.45392429301175 0.19748689737346 0.25019994561580 15.999 > 53 54 O 0.62345337435692 0.88217936225809 0.42475562697583 15.999 > 54 55 O 0.05561674149342 0.12049522295479 0.89318057248236 15.999 > 55 56 O 0.23632075253427 0.79168306269743 0.09601835034773 15.999 > 56 57 O 0.67134236818584 0.32917834569888 0.55202798435888 15.999 > 57 58 O 0.69731302679288 0.79850440120477 0.62959988988530 15.999 > 58 59 O 0.12016135849869 0.32069374520512 0.10148116043005 15.999 > 59 60 O 0.27700969649945 0.59323518303252 0.26534307415679 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.771566730042826 0.000000000000000 0.000000000000000 b 0.000000000000000 10.988799160000003 0.000000000000000 c -9.503661535968307 0.000000000000000 14.079457456893378 Atomic positions (fractional): *1 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 1 2 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 1 *3 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 2 4 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 2 *5 Ca 0.21370868321858 0.00159187733048 0.22878960389814 40.078 > 3 6 Ca 0.21370868321858 0.50159187733048 0.22878960389814 40.078 > 3 *7 Ca 0.45347030002048 0.25999523874185 0.60517895173772 40.078 > 4 8 Ca 0.45347030002048 0.75999523874185 0.60517895173772 40.078 > 4 *9 Ca 0.87676607571844 0.24082664987286 0.07150370997261 40.078 > 5 10 Ca 0.87676607571844 0.74082664987286 0.07150370997261 40.078 > 5 11 Ca 0.12323392428156 0.49082664987286 0.42849629002739 40.078 > 6 12 Ca 0.12323392428156 0.99082664987286 0.42849629002739 40.078 > 6 13 Ca 0.54652969997951 0.00999523874185 0.89482104826228 40.078 > 7 14 Ca 0.54652969997951 0.50999523874186 0.89482104826228 40.078 > 7 15 Ca 0.78629131678142 0.25159187733048 0.27121039610186 40.078 > 8 16 Ca 0.78629131678142 0.75159187733048 0.27121039610186 40.078 > 8 17 Ca 0.00000000000000 0.25000000000000 0.50000000000000 40.078 > 9 18 Ca 0.00000000000000 0.75000000000000 0.50000000000000 40.078 > 9 19 Ca 0.21370868321858 0.24840812266952 0.72878960389814 40.078 > 10 20 Ca 0.21370868321858 0.74840812266952 0.72878960389814 40.078 > 10 21 Ca 0.50000000000000 0.25000000000000 0.00000000000000 40.078 > 11 22 Ca 0.50000000000000 0.75000000000000 0.00000000000000 40.078 > 11 23 Ca 0.45347030002048 0.49000476125815 0.10517895173772 40.078 > 12 24 Ca 0.45347030002048 0.99000476125815 0.10517895173772 40.078 > 12 25 Ca 0.87676607571844 0.00917335012714 0.57150370997261 40.078 > 13 26 Ca 0.87676607571844 0.50917335012714 0.57150370997261 40.078 > 13 27 Ca 0.12323392428156 0.25917335012714 0.92849629002739 40.078 > 14 28 Ca 0.12323392428156 0.75917335012714 0.92849629002739 40.078 > 14 29 Ca 0.54652969997951 0.24000476125814 0.39482104826228 40.078 > 15 30 Ca 0.54652969997951 0.74000476125814 0.39482104826228 40.078 > 15 31 Ca 0.78629131678142 0.49840812266952 0.77121039610186 40.078 > 16 32 Ca 0.78629131678142 0.99840812266952 0.77121039610186 40.078 > 16 *33 Ta 0.67406139502241 0.25429282669427 0.83577042697718 180.948 > 17 34 Ta 0.67406139502241 0.75429282669427 0.83577042697718 180.948 > 17 *35 Ta 0.16809247101476 0.24494305131820 0.33599094042118 180.948 > 18 36 Ta 0.16809247101476 0.74494305131820 0.33599094042118 180.948 > 18 37 Ta 0.32593860497760 0.00429282669427 0.66422957302282 180.948 > 19 38 Ta 0.32593860497760 0.50429282669427 0.66422957302282 180.948 > 19 39 Ta 0.83190752898524 0.49494305131820 0.16400905957882 180.948 > 20 40 Ta 0.83190752898524 0.99494305131820 0.16400905957882 180.948 > 20 41 Ta 0.16809247101476 0.00505694868180 0.83599094042118 180.948 > 21 42 Ta 0.16809247101476 0.50505694868180 0.83599094042118 180.948 > 21 43 Ta 0.67406139502241 0.49570717330573 0.33577042697718 180.948 > 22 44 Ta 0.67406139502241 0.99570717330573 0.33577042697718 180.948 > 22 45 Ta 0.83190752898524 0.25505694868180 0.66400905957882 180.948 > 23 46 Ta 0.83190752898524 0.75505694868180 0.66400905957882 180.948 > 23 47 Ta 0.32593860497760 0.24570717330573 0.16422957302282 180.948 > 24 48 Ta 0.32593860497760 0.74570717330573 0.16422957302282 180.948 > 24 *49 O 0.72299030350055 0.20338240848374 0.73465692584321 15.999 > 25 50 O 0.72299030350055 0.70338240848374 0.73465692584321 15.999 > 25 *51 O 0.87983864150131 0.33965312739744 0.89851883956995 15.999 > 26 52 O 0.87983864150131 0.83965312739744 0.89851883956995 15.999 > 26 *53 O 0.30268697320712 0.10074779939761 0.37040011011470 15.999 > 27 54 O 0.30268697320712 0.60074779939761 0.37040011011470 15.999 > 27 *55 O 0.32865763181416 0.33541082715056 0.44797201564112 15.999 > 28 56 O 0.32865763181416 0.83541082715056 0.44797201564112 15.999 > 28 *57 O 0.76367924746573 0.10415846865129 0.90398164965227 15.999 > 29 58 O 0.76367924746573 0.60415846865129 0.90398164965227 15.999 > 29 *59 O 0.94438325850658 0.43975238852261 0.10681942751763 15.999 > 30 60 O 0.94438325850658 0.93975238852261 0.10681942751763 15.999 > 30 *61 O 0.37654662564308 0.05891031887096 0.57524437302417 15.999 > 31 62 O 0.37654662564308 0.55891031887096 0.57524437302417 15.999 > 31 *63 O 0.54607570698825 0.40125655131327 0.74980005438420 15.999 > 32 64 O 0.54607570698825 0.90125655131327 0.74980005438420 15.999 > 32 *65 O 0.97985039880143 0.14588715705747 0.21741865885052 15.999 > 33 66 O 0.97985039880143 0.64588715705747 0.21741865885052 15.999 > 33 67 O 0.02014960119857 0.39588715705747 0.28258134114949 15.999 > 34 68 O 0.02014960119857 0.89588715705747 0.28258134114949 15.999 > 34 69 O 0.45392429301175 0.15125655131327 0.75019994561580 15.999 > 35 70 O 0.45392429301175 0.65125655131327 0.75019994561580 15.999 > 35 71 O 0.62345337435692 0.30891031887096 0.92475562697583 15.999 > 36 72 O 0.62345337435692 0.80891031887096 0.92475562697583 15.999 > 36 73 O 0.05561674149342 0.18975238852261 0.39318057248236 15.999 > 37 74 O 0.05561674149342 0.68975238852261 0.39318057248236 15.999 > 37 75 O 0.23632075253427 0.35415846865129 0.59601835034773 15.999 > 38 76 O 0.23632075253427 0.85415846865129 0.59601835034773 15.999 > 38 77 O 0.67134236818584 0.08541082715056 0.05202798435888 15.999 > 39 78 O 0.67134236818584 0.58541082715056 0.05202798435888 15.999 > 39 79 O 0.69731302679288 0.35074779939761 0.12959988988529 15.999 > 40 80 O 0.69731302679288 0.85074779939761 0.12959988988529 15.999 > 40 81 O 0.12016135849869 0.08965312739744 0.60148116043005 15.999 > 41 82 O 0.12016135849869 0.58965312739744 0.60148116043005 15.999 > 41 83 O 0.27700969649945 0.45338240848374 0.76534307415679 15.999 > 42 84 O 0.27700969649945 0.95338240848374 0.76534307415679 15.999 > 42 85 O 0.72299030350055 0.04661759151626 0.23465692584321 15.999 > 43 86 O 0.72299030350055 0.54661759151626 0.23465692584321 15.999 > 43 87 O 0.87983864150131 0.41034687260256 0.39851883956995 15.999 > 44 88 O 0.87983864150131 0.91034687260256 0.39851883956995 15.999 > 44 89 O 0.30268697320712 0.14925220060239 0.87040011011470 15.999 > 45 90 O 0.30268697320712 0.64925220060239 0.87040011011470 15.999 > 45 91 O 0.32865763181416 0.41458917284944 0.94797201564112 15.999 > 46 92 O 0.32865763181416 0.91458917284944 0.94797201564112 15.999 > 46 93 O 0.76367924746573 0.14584153134871 0.40398164965227 15.999 > 47 94 O 0.76367924746573 0.64584153134871 0.40398164965227 15.999 > 47 95 O 0.94438325850658 0.31024761147739 0.60681942751764 15.999 > 48 96 O 0.94438325850658 0.81024761147739 0.60681942751764 15.999 > 48 97 O 0.37654662564308 0.19108968112904 0.07524437302417 15.999 > 49 98 O 0.37654662564308 0.69108968112904 0.07524437302417 15.999 > 49 99 O 0.54607570698825 0.34874344868673 0.24980005438420 15.999 > 50 100 O 0.54607570698825 0.84874344868673 0.24980005438420 15.999 > 50 101 O 0.97985039880143 0.10411284294253 0.71741865885052 15.999 > 51 102 O 0.97985039880143 0.60411284294253 0.71741865885052 15.999 > 51 103 O 0.02014960119857 0.35411284294253 0.78258134114948 15.999 > 52 104 O 0.02014960119857 0.85411284294253 0.78258134114948 15.999 > 52 105 O 0.45392429301175 0.09874344868673 0.25019994561580 15.999 > 53 106 O 0.45392429301175 0.59874344868673 0.25019994561580 15.999 > 53 107 O 0.62345337435692 0.44108968112904 0.42475562697583 15.999 > 54 108 O 0.62345337435692 0.94108968112904 0.42475562697583 15.999 > 54 109 O 0.05561674149342 0.06024761147739 0.89318057248236 15.999 > 55 110 O 0.05561674149342 0.56024761147739 0.89318057248236 15.999 > 55 111 O 0.23632075253427 0.39584153134871 0.09601835034773 15.999 > 56 112 O 0.23632075253427 0.89584153134871 0.09601835034773 15.999 > 56 113 O 0.67134236818584 0.16458917284944 0.55202798435888 15.999 > 57 114 O 0.67134236818584 0.66458917284944 0.55202798435888 15.999 > 57 115 O 0.69731302679288 0.39925220060239 0.62959988988530 15.999 > 58 116 O 0.69731302679288 0.89925220060239 0.62959988988530 15.999 > 58 117 O 0.12016135849869 0.16034687260256 0.10148116043005 15.999 > 59 118 O 0.12016135849869 0.66034687260256 0.10148116043005 15.999 > 59 119 O 0.27700969649945 0.29661759151626 0.26534307415679 15.999 > 60 120 O 0.27700969649945 0.79661759151626 0.26534307415679 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4238762 0.0000000 0.0380211 0.0000000 4.4750839 0.0000000 0.0380232 0.0000000 4.3038674 -------------------------- Born effective charges -------------------------- 1 Ca 2.9448605 -0.1558945 0.2198945 0.1380840 2.7253387 -0.4671425 0.0681588 0.3361256 3.0318565 2 Ca 2.6406193 0.3467903 -0.0346554 -0.3989123 2.7139673 -0.0024254 0.0330010 -0.0538553 3.3065691 3 Ca 2.5665744 0.1588123 -0.0531752 0.0472272 2.7352941 0.2333281 -0.0047727 0.0875951 1.8537031 4 Ca 2.4473802 0.0412468 0.1805507 -0.2022136 2.3550844 -0.0450233 0.0252200 -0.1698848 2.5471149 5 Ca 2.2040007 -0.2173086 -0.0090256 0.0384576 2.5079584 -0.0466319 0.0964141 -0.1461005 2.7370609 6 Ca 2.2040007 0.2173086 -0.0090256 -0.0384576 2.5079584 0.0466319 0.0964141 0.1461005 2.7370609 7 Ca 2.4473802 -0.0412468 0.1805507 0.2022136 2.3550844 0.0450233 0.0252200 0.1698848 2.5471149 8 Ca 2.5665744 -0.1588123 -0.0531752 -0.0472272 2.7352941 -0.2333281 -0.0047727 -0.0875951 1.8537031 9 Ca 2.6406193 -0.3467903 -0.0346554 0.3989123 2.7139673 0.0024254 0.0330010 0.0538553 3.3065691 10 Ca 2.5665744 -0.1588123 -0.0531752 -0.0472272 2.7352941 -0.2333281 -0.0047727 -0.0875951 1.8537031 11 Ca 2.9448605 0.1558945 0.2198945 -0.1380840 2.7253387 0.4671425 0.0681588 -0.3361256 3.0318565 12 Ca 2.4473802 -0.0412468 0.1805507 0.2022136 2.3550844 0.0450233 0.0252200 0.1698848 2.5471149 13 Ca 2.2040007 0.2173086 -0.0090256 -0.0384576 2.5079584 0.0466319 0.0964141 0.1461005 2.7370609 14 Ca 2.2040007 -0.2173086 -0.0090256 0.0384576 2.5079584 -0.0466319 0.0964141 -0.1461005 2.7370609 15 Ca 2.4473802 0.0412468 0.1805507 -0.2022136 2.3550844 -0.0450233 0.0252200 -0.1698848 2.5471149 16 Ca 2.5665744 0.1588123 -0.0531752 0.0472272 2.7352941 0.2333281 -0.0047727 0.0875951 1.8537031 17 Ta 6.3541551 -0.3423911 -0.1345169 0.6477722 6.5432314 -0.0199728 -0.0062870 0.0052491 5.9067278 18 Ta 6.5853287 0.1226116 0.1235161 -0.1437455 6.5908550 0.6874823 0.0446373 -0.1864088 5.8061803 19 Ta 6.3541551 0.3423911 -0.1345169 -0.6477722 6.5432314 0.0199728 -0.0062870 -0.0052491 5.9067278 20 Ta 6.5853287 -0.1226116 0.1235161 0.1437455 6.5908550 -0.6874823 0.0446373 0.1864088 5.8061803 21 Ta 6.5853287 -0.1226116 0.1235161 0.1437455 6.5908550 -0.6874823 0.0446373 0.1864088 5.8061803 22 Ta 6.3541551 0.3423911 -0.1345169 -0.6477722 6.5432314 0.0199728 -0.0062870 -0.0052491 5.9067278 23 Ta 6.5853287 0.1226116 0.1235161 -0.1437455 6.5908550 0.6874823 0.0446373 -0.1864088 5.8061803 24 Ta 6.3541551 -0.3423911 -0.1345169 0.6477722 6.5432314 -0.0199728 -0.0062870 0.0052491 5.9067278 25 O -3.7694703 0.0551550 1.3680650 -0.0561668 -1.9510490 0.0821838 1.2675994 0.1048045 -2.4457978 26 O -2.8728301 -0.7549889 -0.7214529 -0.8182154 -2.2439602 -0.5115318 -0.8332831 -0.5489155 -2.1220190 27 O -2.2420673 0.7679288 -0.2921363 0.7365191 -2.9928351 0.4056931 -0.3584381 0.5484031 -2.0266459 28 O -1.8150531 -0.3248230 -0.5593583 -0.2450897 -2.3964881 -1.0096744 -0.4865147 -0.9508376 -3.3058989 29 O -1.8610369 0.2539616 -0.2315824 0.1561481 -3.2060336 0.8010493 -0.1943159 0.9244273 -2.2890446 30 O -3.1606146 0.3892571 0.7212071 0.3214783 -2.0480475 -0.2675954 0.8062810 -0.3969825 -2.0991050 31 O -2.6857068 -0.5733054 1.0114433 -0.4303134 -2.0026244 0.2456410 0.9871759 0.1821189 -2.6695334 32 O -2.4239515 0.9700996 -0.8492216 0.9319076 -3.2497556 1.1692921 -0.6881730 1.0748347 -2.4363360 33 O -2.1194483 -0.9365630 -0.6469325 -0.9752199 -3.3612827 -1.1123397 -0.7061232 -1.0877378 -2.6256194 34 O -2.1194483 0.9365630 -0.6469325 0.9752199 -3.3612827 1.1123397 -0.7061232 1.0877378 -2.6256194 35 O -2.4239515 -0.9700996 -0.8492216 -0.9319076 -3.2497556 -1.1692921 -0.6881730 -1.0748347 -2.4363360 36 O -2.6857068 0.5733054 1.0114433 0.4303134 -2.0026244 -0.2456410 0.9871759 -0.1821189 -2.6695334 37 O -3.1606146 -0.3892571 0.7212071 -0.3214783 -2.0480475 0.2675954 0.8062810 0.3969825 -2.0991050 38 O -1.8610369 -0.2539616 -0.2315824 -0.1561481 -3.2060336 -0.8010493 -0.1943159 -0.9244273 -2.2890446 39 O -1.8150531 0.3248230 -0.5593583 0.2450897 -2.3964881 1.0096744 -0.4865147 0.9508376 -3.3058989 40 O -2.2420673 -0.7679288 -0.2921363 -0.7365191 -2.9928351 -0.4056931 -0.3584381 -0.5484031 -2.0266459 41 O -2.8728301 0.7549889 -0.7214529 0.8182154 -2.2439602 0.5115318 -0.8332831 0.5489155 -2.1220190 42 O -3.7694703 -0.0551550 1.3680650 0.0561668 -1.9510490 -0.0821838 1.2675994 -0.1048045 -2.4457978 43 O -3.7694703 -0.0551550 1.3680650 0.0561668 -1.9510490 -0.0821838 1.2675994 -0.1048045 -2.4457978 44 O -2.8728301 0.7549889 -0.7214529 0.8182154 -2.2439602 0.5115318 -0.8332831 0.5489155 -2.1220190 45 O -2.2420673 -0.7679288 -0.2921363 -0.7365191 -2.9928351 -0.4056931 -0.3584381 -0.5484031 -2.0266459 46 O -1.8150531 0.3248230 -0.5593583 0.2450897 -2.3964881 1.0096744 -0.4865147 0.9508376 -3.3058989 47 O -1.8610369 -0.2539616 -0.2315824 -0.1561481 -3.2060336 -0.8010493 -0.1943159 -0.9244273 -2.2890446 48 O -3.1606146 -0.3892571 0.7212071 -0.3214783 -2.0480475 0.2675954 0.8062810 0.3969825 -2.0991050 49 O -2.6857068 0.5733054 1.0114433 0.4303134 -2.0026244 -0.2456410 0.9871759 -0.1821189 -2.6695334 50 O -2.4239515 -0.9700996 -0.8492216 -0.9319076 -3.2497556 -1.1692921 -0.6881730 -1.0748347 -2.4363360 51 O -2.1194483 0.9365630 -0.6469325 0.9752199 -3.3612827 1.1123397 -0.7061232 1.0877378 -2.6256194 52 O -2.1194483 -0.9365630 -0.6469325 -0.9752199 -3.3612827 -1.1123397 -0.7061232 -1.0877378 -2.6256194 53 O -2.4239515 0.9700996 -0.8492216 0.9319076 -3.2497556 1.1692921 -0.6881730 1.0748347 -2.4363360 54 O -2.6857068 -0.5733054 1.0114433 -0.4303134 -2.0026244 0.2456410 0.9871759 0.1821189 -2.6695334 55 O -3.1606146 0.3892571 0.7212071 0.3214783 -2.0480475 -0.2675954 0.8062810 -0.3969825 -2.0991050 56 O -1.8610369 0.2539616 -0.2315824 0.1561481 -3.2060336 0.8010493 -0.1943159 0.9244273 -2.2890446 57 O -1.8150531 -0.3248230 -0.5593583 -0.2450897 -2.3964881 -1.0096744 -0.4865147 -0.9508376 -3.3058989 58 O -2.2420673 0.7679288 -0.2921363 0.7365191 -2.9928351 0.4056931 -0.3584381 0.5484031 -2.0266459 59 O -2.8728301 -0.7549889 -0.7214529 -0.8182154 -2.2439602 -0.5115318 -0.8332831 -0.5489155 -2.1220190 60 O -3.7694703 0.0551550 1.3680650 -0.0561668 -1.9510490 0.0821838 1.2675994 0.1048045 -2.4457978 ---------------------------------------------------------------------------- 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: 8253 Number of blocks in projector: 8253 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: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 1804 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 1804 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1804 / 1804 (1) 286 eigenvectors found. (1) Complementary block size: 102 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 1804 (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 / 1804 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1804 / 1804 (1) 291 eigenvectors found. (1) Complementary block size: 90 (1) Compute compressed projector. (1) Use standard solver. (1) 59 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 1804 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 1804 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1804 / 1804 (1) 286 eigenvectors found. (1) Complementary block size: 102 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 433 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 433 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 433 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (8253, 8110), data: False |-- (947, 931), data: False |-- (947, 14), data: (947, 30) @ (30, 14) |-- (447, 433), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (947, 931), data: False |-- (947, 14), data: (947, 30) @ (30, 14) |-- (447, 433), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (947, 931), data: False |-- (947, 14), data: (947, 30) @ (30, 14) |-- (447, 433), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1804, 1772), data: False |-- (1804, 70), data: (1804, 102) @ (102, 70) |-- (304, 286), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (1804, 1773), data: False |-- (1804, 59), data: (1804, 90) @ (90, 59) |-- (304, 291), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (1804, 1772), data: False |-- (1804, 70), data: (1804, 102) @ (102, 70) |-- (304, 286), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.347 Solver_block: 200 / 1840 - Time: 2.036 Solver_block: 300 / 1840 - Time: 2.056 Solver_block: 400 / 1840 - Time: 2.050 Solver_block: 500 / 1840 - Time: 2.051 Solver_block: 600 / 1840 - Time: 2.062 Solver_block: 700 / 1840 - Time: 2.055 Solver_block: 800 / 1840 - Time: 2.047 Solver_block: 900 / 1840 - Time: 2.053 Solver_block: 1000 / 1840 - Time: 2.053 Solver_block: 1100 / 1840 - Time: 2.051 Solver_block: 1200 / 1840 - Time: 2.044 Solver_block: 1300 / 1840 - Time: 2.047 Solver_block: 1400 / 1840 - Time: 2.054 Solver_block: 1500 / 1840 - Time: 2.049 Solver_block: 1600 / 1840 - Time: 2.048 Solver_block: 1700 / 1840 - Time: 2.047 Solver_block: 1800 / 1840 - Time: 2.046 Solver_block: 1840 / 1840 - Time: 1.033 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 39.256 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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: 8253 Number of blocks in projector: 8253 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: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 1804 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 1804 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1804 / 1804 (1) 286 eigenvectors found. (1) Complementary block size: 102 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 1804 (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 / 1804 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1804 / 1804 (1) 291 eigenvectors found. (1) Complementary block size: 90 (1) Compute compressed projector. (1) Use standard solver. (1) 59 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 1804 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 1804 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1804 / 1804 (1) 286 eigenvectors found. (1) Complementary block size: 102 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 433 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 433 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 433 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (8253, 8110), data: False |-- (947, 931), data: False |-- (947, 14), data: (947, 30) @ (30, 14) |-- (447, 433), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (947, 931), data: False |-- (947, 14), data: (947, 30) @ (30, 14) |-- (447, 433), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (947, 931), data: False |-- (947, 14), data: (947, 30) @ (30, 14) |-- (447, 433), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1804, 1772), data: False |-- (1804, 70), data: (1804, 102) @ (102, 70) |-- (304, 286), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (1804, 1773), data: False |-- (1804, 59), data: (1804, 90) @ (90, 59) |-- (304, 291), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (1804, 1772), data: False |-- (1804, 70), data: (1804, 102) @ (102, 70) |-- (304, 286), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:31:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:31:53]------------------------- 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 9.771566730042826 0.000000000000000 0.000000000000000 b 0.000000000000000 5.494399580000001 0.000000000000000 c -9.503661535968307 0.000000000000000 14.079457456893378 Atomic positions (fractional): 1 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 2 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 3 Ca 0.21370868321858 0.00318375466095 0.22878960389814 40.078 4 Ca 0.45347030002048 0.51999047748371 0.60517895173772 40.078 5 Ca 0.87676607571844 0.48165329974572 0.07150370997261 40.078 6 Ca 0.12323392428156 0.98165329974572 0.42849629002739 40.078 7 Ca 0.54652969997951 0.01999047748371 0.89482104826228 40.078 8 Ca 0.78629131678142 0.50318375466095 0.27121039610186 40.078 9 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 10 Ca 0.21370868321858 0.49681624533905 0.72878960389814 40.078 11 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 12 Ca 0.45347030002048 0.98000952251629 0.10517895173772 40.078 13 Ca 0.87676607571844 0.01834670025428 0.57150370997261 40.078 14 Ca 0.12323392428156 0.51834670025428 0.92849629002739 40.078 15 Ca 0.54652969997951 0.48000952251629 0.39482104826228 40.078 16 Ca 0.78629131678142 0.99681624533905 0.77121039610186 40.078 17 Ta 0.67406139502241 0.50858565338855 0.83577042697718 180.948 18 Ta 0.16809247101476 0.48988610263640 0.33599094042118 180.948 19 Ta 0.32593860497760 0.00858565338855 0.66422957302282 180.948 20 Ta 0.83190752898524 0.98988610263640 0.16400905957882 180.948 21 Ta 0.16809247101476 0.01011389736360 0.83599094042118 180.948 22 Ta 0.67406139502241 0.99141434661145 0.33577042697718 180.948 23 Ta 0.83190752898524 0.51011389736360 0.66400905957882 180.948 24 Ta 0.32593860497760 0.49141434661145 0.16422957302282 180.948 25 O 0.72299030350055 0.40676481696748 0.73465692584321 15.999 26 O 0.87983864150131 0.67930625479488 0.89851883956995 15.999 27 O 0.30268697320712 0.20149559879523 0.37040011011470 15.999 28 O 0.32865763181416 0.67082165430112 0.44797201564112 15.999 29 O 0.76367924746573 0.20831693730257 0.90398164965227 15.999 30 O 0.94438325850658 0.87950477704521 0.10681942751763 15.999 31 O 0.37654662564308 0.11782063774191 0.57524437302417 15.999 32 O 0.54607570698825 0.80251310262654 0.74980005438420 15.999 33 O 0.97985039880143 0.29177431411495 0.21741865885052 15.999 34 O 0.02014960119857 0.79177431411495 0.28258134114949 15.999 35 O 0.45392429301175 0.30251310262654 0.75019994561580 15.999 36 O 0.62345337435692 0.61782063774191 0.92475562697583 15.999 37 O 0.05561674149342 0.37950477704521 0.39318057248236 15.999 38 O 0.23632075253427 0.70831693730257 0.59601835034773 15.999 39 O 0.67134236818584 0.17082165430112 0.05202798435888 15.999 40 O 0.69731302679288 0.70149559879523 0.12959988988529 15.999 41 O 0.12016135849869 0.17930625479488 0.60148116043005 15.999 42 O 0.27700969649945 0.90676481696748 0.76534307415679 15.999 43 O 0.72299030350055 0.09323518303252 0.23465692584321 15.999 44 O 0.87983864150131 0.82069374520512 0.39851883956995 15.999 45 O 0.30268697320712 0.29850440120477 0.87040011011470 15.999 46 O 0.32865763181416 0.82917834569888 0.94797201564112 15.999 47 O 0.76367924746573 0.29168306269743 0.40398164965227 15.999 48 O 0.94438325850658 0.62049522295479 0.60681942751764 15.999 49 O 0.37654662564308 0.38217936225809 0.07524437302417 15.999 50 O 0.54607570698825 0.69748689737346 0.24980005438420 15.999 51 O 0.97985039880143 0.20822568588505 0.71741865885052 15.999 52 O 0.02014960119857 0.70822568588505 0.78258134114948 15.999 53 O 0.45392429301175 0.19748689737346 0.25019994561580 15.999 54 O 0.62345337435692 0.88217936225809 0.42475562697583 15.999 55 O 0.05561674149342 0.12049522295479 0.89318057248236 15.999 56 O 0.23632075253427 0.79168306269743 0.09601835034773 15.999 57 O 0.67134236818584 0.32917834569888 0.55202798435888 15.999 58 O 0.69731302679288 0.79850440120477 0.62959988988530 15.999 59 O 0.12016135849869 0.32069374520512 0.10148116043005 15.999 60 O 0.27700969649945 0.59323518303252 0.26534307415679 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.771566730042826 0.000000000000000 0.000000000000000 b 0.000000000000000 10.988799160000003 0.000000000000000 c -9.503661535968307 0.000000000000000 14.079457456893378 Atomic positions (fractional): 1 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 1 2 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 1 3 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 3 4 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 3 5 Ca 0.21370868321858 0.00159187733048 0.22878960389814 40.078 > 5 6 Ca 0.21370868321858 0.50159187733048 0.22878960389814 40.078 > 5 7 Ca 0.45347030002048 0.25999523874185 0.60517895173772 40.078 > 7 8 Ca 0.45347030002048 0.75999523874185 0.60517895173772 40.078 > 7 9 Ca 0.87676607571844 0.24082664987286 0.07150370997261 40.078 > 9 10 Ca 0.87676607571844 0.74082664987286 0.07150370997261 40.078 > 9 11 Ca 0.12323392428156 0.49082664987286 0.42849629002739 40.078 > 11 12 Ca 0.12323392428156 0.99082664987286 0.42849629002739 40.078 > 11 13 Ca 0.54652969997951 0.00999523874185 0.89482104826228 40.078 > 13 14 Ca 0.54652969997951 0.50999523874186 0.89482104826228 40.078 > 13 15 Ca 0.78629131678142 0.25159187733048 0.27121039610186 40.078 > 15 16 Ca 0.78629131678142 0.75159187733048 0.27121039610186 40.078 > 15 17 Ca 0.00000000000000 0.25000000000000 0.50000000000000 40.078 > 17 18 Ca 0.00000000000000 0.75000000000000 0.50000000000000 40.078 > 17 19 Ca 0.21370868321858 0.24840812266952 0.72878960389814 40.078 > 19 20 Ca 0.21370868321858 0.74840812266952 0.72878960389814 40.078 > 19 21 Ca 0.50000000000000 0.25000000000000 0.00000000000000 40.078 > 21 22 Ca 0.50000000000000 0.75000000000000 0.00000000000000 40.078 > 21 23 Ca 0.45347030002048 0.49000476125815 0.10517895173772 40.078 > 23 24 Ca 0.45347030002048 0.99000476125815 0.10517895173772 40.078 > 23 25 Ca 0.87676607571844 0.00917335012714 0.57150370997261 40.078 > 25 26 Ca 0.87676607571844 0.50917335012714 0.57150370997261 40.078 > 25 27 Ca 0.12323392428156 0.25917335012714 0.92849629002739 40.078 > 27 28 Ca 0.12323392428156 0.75917335012714 0.92849629002739 40.078 > 27 29 Ca 0.54652969997951 0.24000476125814 0.39482104826228 40.078 > 29 30 Ca 0.54652969997951 0.74000476125814 0.39482104826228 40.078 > 29 31 Ca 0.78629131678142 0.49840812266952 0.77121039610186 40.078 > 31 32 Ca 0.78629131678142 0.99840812266952 0.77121039610186 40.078 > 31 33 Ta 0.67406139502241 0.25429282669427 0.83577042697718 180.948 > 33 34 Ta 0.67406139502241 0.75429282669427 0.83577042697718 180.948 > 33 35 Ta 0.16809247101476 0.24494305131820 0.33599094042118 180.948 > 35 36 Ta 0.16809247101476 0.74494305131820 0.33599094042118 180.948 > 35 37 Ta 0.32593860497760 0.00429282669427 0.66422957302282 180.948 > 37 38 Ta 0.32593860497760 0.50429282669427 0.66422957302282 180.948 > 37 39 Ta 0.83190752898524 0.49494305131820 0.16400905957882 180.948 > 39 40 Ta 0.83190752898524 0.99494305131820 0.16400905957882 180.948 > 39 41 Ta 0.16809247101476 0.00505694868180 0.83599094042118 180.948 > 41 42 Ta 0.16809247101476 0.50505694868180 0.83599094042118 180.948 > 41 43 Ta 0.67406139502241 0.49570717330573 0.33577042697718 180.948 > 43 44 Ta 0.67406139502241 0.99570717330573 0.33577042697718 180.948 > 43 45 Ta 0.83190752898524 0.25505694868180 0.66400905957882 180.948 > 45 46 Ta 0.83190752898524 0.75505694868180 0.66400905957882 180.948 > 45 47 Ta 0.32593860497760 0.24570717330573 0.16422957302282 180.948 > 47 48 Ta 0.32593860497760 0.74570717330573 0.16422957302282 180.948 > 47 49 O 0.72299030350055 0.20338240848374 0.73465692584321 15.999 > 49 50 O 0.72299030350055 0.70338240848374 0.73465692584321 15.999 > 49 51 O 0.87983864150131 0.33965312739744 0.89851883956995 15.999 > 51 52 O 0.87983864150131 0.83965312739744 0.89851883956995 15.999 > 51 53 O 0.30268697320712 0.10074779939761 0.37040011011470 15.999 > 53 54 O 0.30268697320712 0.60074779939761 0.37040011011470 15.999 > 53 55 O 0.32865763181416 0.33541082715056 0.44797201564112 15.999 > 55 56 O 0.32865763181416 0.83541082715056 0.44797201564112 15.999 > 55 57 O 0.76367924746573 0.10415846865129 0.90398164965227 15.999 > 57 58 O 0.76367924746573 0.60415846865129 0.90398164965227 15.999 > 57 59 O 0.94438325850658 0.43975238852261 0.10681942751763 15.999 > 59 60 O 0.94438325850658 0.93975238852261 0.10681942751763 15.999 > 59 61 O 0.37654662564308 0.05891031887096 0.57524437302417 15.999 > 61 62 O 0.37654662564308 0.55891031887096 0.57524437302417 15.999 > 61 63 O 0.54607570698825 0.40125655131327 0.74980005438420 15.999 > 63 64 O 0.54607570698825 0.90125655131327 0.74980005438420 15.999 > 63 65 O 0.97985039880143 0.14588715705747 0.21741865885052 15.999 > 65 66 O 0.97985039880143 0.64588715705747 0.21741865885052 15.999 > 65 67 O 0.02014960119857 0.39588715705747 0.28258134114949 15.999 > 67 68 O 0.02014960119857 0.89588715705747 0.28258134114949 15.999 > 67 69 O 0.45392429301175 0.15125655131327 0.75019994561580 15.999 > 69 70 O 0.45392429301175 0.65125655131327 0.75019994561580 15.999 > 69 71 O 0.62345337435692 0.30891031887096 0.92475562697583 15.999 > 71 72 O 0.62345337435692 0.80891031887096 0.92475562697583 15.999 > 71 73 O 0.05561674149342 0.18975238852261 0.39318057248236 15.999 > 73 74 O 0.05561674149342 0.68975238852261 0.39318057248236 15.999 > 73 75 O 0.23632075253427 0.35415846865129 0.59601835034773 15.999 > 75 76 O 0.23632075253427 0.85415846865129 0.59601835034773 15.999 > 75 77 O 0.67134236818584 0.08541082715056 0.05202798435888 15.999 > 77 78 O 0.67134236818584 0.58541082715056 0.05202798435888 15.999 > 77 79 O 0.69731302679288 0.35074779939761 0.12959988988529 15.999 > 79 80 O 0.69731302679288 0.85074779939761 0.12959988988529 15.999 > 79 81 O 0.12016135849869 0.08965312739744 0.60148116043005 15.999 > 81 82 O 0.12016135849869 0.58965312739744 0.60148116043005 15.999 > 81 83 O 0.27700969649945 0.45338240848374 0.76534307415679 15.999 > 83 84 O 0.27700969649945 0.95338240848374 0.76534307415679 15.999 > 83 85 O 0.72299030350055 0.04661759151626 0.23465692584321 15.999 > 85 86 O 0.72299030350055 0.54661759151626 0.23465692584321 15.999 > 85 87 O 0.87983864150131 0.41034687260256 0.39851883956995 15.999 > 87 88 O 0.87983864150131 0.91034687260256 0.39851883956995 15.999 > 87 89 O 0.30268697320712 0.14925220060239 0.87040011011470 15.999 > 89 90 O 0.30268697320712 0.64925220060239 0.87040011011470 15.999 > 89 91 O 0.32865763181416 0.41458917284944 0.94797201564112 15.999 > 91 92 O 0.32865763181416 0.91458917284944 0.94797201564112 15.999 > 91 93 O 0.76367924746573 0.14584153134871 0.40398164965227 15.999 > 93 94 O 0.76367924746573 0.64584153134871 0.40398164965227 15.999 > 93 95 O 0.94438325850658 0.31024761147739 0.60681942751764 15.999 > 95 96 O 0.94438325850658 0.81024761147739 0.60681942751764 15.999 > 95 97 O 0.37654662564308 0.19108968112904 0.07524437302417 15.999 > 97 98 O 0.37654662564308 0.69108968112904 0.07524437302417 15.999 > 97 99 O 0.54607570698825 0.34874344868673 0.24980005438420 15.999 > 99 100 O 0.54607570698825 0.84874344868673 0.24980005438420 15.999 > 99 101 O 0.97985039880143 0.10411284294253 0.71741865885052 15.999 > 101 102 O 0.97985039880143 0.60411284294253 0.71741865885052 15.999 > 101 103 O 0.02014960119857 0.35411284294253 0.78258134114948 15.999 > 103 104 O 0.02014960119857 0.85411284294253 0.78258134114948 15.999 > 103 105 O 0.45392429301175 0.09874344868673 0.25019994561580 15.999 > 105 106 O 0.45392429301175 0.59874344868673 0.25019994561580 15.999 > 105 107 O 0.62345337435692 0.44108968112904 0.42475562697583 15.999 > 107 108 O 0.62345337435692 0.94108968112904 0.42475562697583 15.999 > 107 109 O 0.05561674149342 0.06024761147739 0.89318057248236 15.999 > 109 110 O 0.05561674149342 0.56024761147739 0.89318057248236 15.999 > 109 111 O 0.23632075253427 0.39584153134871 0.09601835034773 15.999 > 111 112 O 0.23632075253427 0.89584153134871 0.09601835034773 15.999 > 111 113 O 0.67134236818584 0.16458917284944 0.55202798435888 15.999 > 113 114 O 0.67134236818584 0.66458917284944 0.55202798435888 15.999 > 113 115 O 0.69731302679288 0.39925220060239 0.62959988988530 15.999 > 115 116 O 0.69731302679288 0.89925220060239 0.62959988988530 15.999 > 115 117 O 0.12016135849869 0.16034687260256 0.10148116043005 15.999 > 117 118 O 0.12016135849869 0.66034687260256 0.10148116043005 15.999 > 117 119 O 0.27700969649945 0.29661759151626 0.26534307415679 15.999 > 119 120 O 0.27700969649945 0.79661759151626 0.26534307415679 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4238762 0.0000000 0.0380211 0.0000000 4.4750839 0.0000000 0.0380232 0.0000000 4.3038674 -------------------------- Born effective charges -------------------------- 1 Ca 2.9448605 -0.1558945 0.2198945 0.1380840 2.7253387 -0.4671425 0.0681588 0.3361256 3.0318565 2 Ca 2.6406193 0.3467903 -0.0346554 -0.3989123 2.7139673 -0.0024254 0.0330010 -0.0538553 3.3065691 3 Ca 2.5665744 0.1588123 -0.0531752 0.0472272 2.7352941 0.2333281 -0.0047727 0.0875951 1.8537031 4 Ca 2.4473802 0.0412468 0.1805507 -0.2022136 2.3550844 -0.0450233 0.0252200 -0.1698848 2.5471149 5 Ca 2.2040007 -0.2173086 -0.0090256 0.0384576 2.5079584 -0.0466319 0.0964141 -0.1461005 2.7370609 6 Ca 2.2040007 0.2173086 -0.0090256 -0.0384576 2.5079584 0.0466319 0.0964141 0.1461005 2.7370609 7 Ca 2.4473802 -0.0412468 0.1805507 0.2022136 2.3550844 0.0450233 0.0252200 0.1698848 2.5471149 8 Ca 2.5665744 -0.1588123 -0.0531752 -0.0472272 2.7352941 -0.2333281 -0.0047727 -0.0875951 1.8537031 9 Ca 2.6406193 -0.3467903 -0.0346554 0.3989123 2.7139673 0.0024254 0.0330010 0.0538553 3.3065691 10 Ca 2.5665744 -0.1588123 -0.0531752 -0.0472272 2.7352941 -0.2333281 -0.0047727 -0.0875951 1.8537031 11 Ca 2.9448605 0.1558945 0.2198945 -0.1380840 2.7253387 0.4671425 0.0681588 -0.3361256 3.0318565 12 Ca 2.4473802 -0.0412468 0.1805507 0.2022136 2.3550844 0.0450233 0.0252200 0.1698848 2.5471149 13 Ca 2.2040007 0.2173086 -0.0090256 -0.0384576 2.5079584 0.0466319 0.0964141 0.1461005 2.7370609 14 Ca 2.2040007 -0.2173086 -0.0090256 0.0384576 2.5079584 -0.0466319 0.0964141 -0.1461005 2.7370609 15 Ca 2.4473802 0.0412468 0.1805507 -0.2022136 2.3550844 -0.0450233 0.0252200 -0.1698848 2.5471149 16 Ca 2.5665744 0.1588123 -0.0531752 0.0472272 2.7352941 0.2333281 -0.0047727 0.0875951 1.8537031 17 Ta 6.3541551 -0.3423911 -0.1345169 0.6477722 6.5432314 -0.0199728 -0.0062870 0.0052491 5.9067278 18 Ta 6.5853287 0.1226116 0.1235161 -0.1437455 6.5908550 0.6874823 0.0446373 -0.1864088 5.8061803 19 Ta 6.3541551 0.3423911 -0.1345169 -0.6477722 6.5432314 0.0199728 -0.0062870 -0.0052491 5.9067278 20 Ta 6.5853287 -0.1226116 0.1235161 0.1437455 6.5908550 -0.6874823 0.0446373 0.1864088 5.8061803 21 Ta 6.5853287 -0.1226116 0.1235161 0.1437455 6.5908550 -0.6874823 0.0446373 0.1864088 5.8061803 22 Ta 6.3541551 0.3423911 -0.1345169 -0.6477722 6.5432314 0.0199728 -0.0062870 -0.0052491 5.9067278 23 Ta 6.5853287 0.1226116 0.1235161 -0.1437455 6.5908550 0.6874823 0.0446373 -0.1864088 5.8061803 24 Ta 6.3541551 -0.3423911 -0.1345169 0.6477722 6.5432314 -0.0199728 -0.0062870 0.0052491 5.9067278 25 O -3.7694703 0.0551550 1.3680650 -0.0561668 -1.9510490 0.0821838 1.2675994 0.1048045 -2.4457978 26 O -2.8728301 -0.7549889 -0.7214529 -0.8182154 -2.2439602 -0.5115318 -0.8332831 -0.5489155 -2.1220190 27 O -2.2420673 0.7679288 -0.2921363 0.7365191 -2.9928351 0.4056931 -0.3584381 0.5484031 -2.0266459 28 O -1.8150531 -0.3248230 -0.5593583 -0.2450897 -2.3964881 -1.0096744 -0.4865147 -0.9508376 -3.3058989 29 O -1.8610369 0.2539616 -0.2315824 0.1561481 -3.2060336 0.8010493 -0.1943159 0.9244273 -2.2890446 30 O -3.1606146 0.3892571 0.7212071 0.3214783 -2.0480475 -0.2675954 0.8062810 -0.3969825 -2.0991050 31 O -2.6857068 -0.5733054 1.0114433 -0.4303134 -2.0026244 0.2456410 0.9871759 0.1821189 -2.6695334 32 O -2.4239515 0.9700996 -0.8492216 0.9319076 -3.2497556 1.1692921 -0.6881730 1.0748347 -2.4363360 33 O -2.1194483 -0.9365630 -0.6469325 -0.9752199 -3.3612827 -1.1123397 -0.7061232 -1.0877378 -2.6256194 34 O -2.1194483 0.9365630 -0.6469325 0.9752199 -3.3612827 1.1123397 -0.7061232 1.0877378 -2.6256194 35 O -2.4239515 -0.9700996 -0.8492216 -0.9319076 -3.2497556 -1.1692921 -0.6881730 -1.0748347 -2.4363360 36 O -2.6857068 0.5733054 1.0114433 0.4303134 -2.0026244 -0.2456410 0.9871759 -0.1821189 -2.6695334 37 O -3.1606146 -0.3892571 0.7212071 -0.3214783 -2.0480475 0.2675954 0.8062810 0.3969825 -2.0991050 38 O -1.8610369 -0.2539616 -0.2315824 -0.1561481 -3.2060336 -0.8010493 -0.1943159 -0.9244273 -2.2890446 39 O -1.8150531 0.3248230 -0.5593583 0.2450897 -2.3964881 1.0096744 -0.4865147 0.9508376 -3.3058989 40 O -2.2420673 -0.7679288 -0.2921363 -0.7365191 -2.9928351 -0.4056931 -0.3584381 -0.5484031 -2.0266459 41 O -2.8728301 0.7549889 -0.7214529 0.8182154 -2.2439602 0.5115318 -0.8332831 0.5489155 -2.1220190 42 O -3.7694703 -0.0551550 1.3680650 0.0561668 -1.9510490 -0.0821838 1.2675994 -0.1048045 -2.4457978 43 O -3.7694703 -0.0551550 1.3680650 0.0561668 -1.9510490 -0.0821838 1.2675994 -0.1048045 -2.4457978 44 O -2.8728301 0.7549889 -0.7214529 0.8182154 -2.2439602 0.5115318 -0.8332831 0.5489155 -2.1220190 45 O -2.2420673 -0.7679288 -0.2921363 -0.7365191 -2.9928351 -0.4056931 -0.3584381 -0.5484031 -2.0266459 46 O -1.8150531 0.3248230 -0.5593583 0.2450897 -2.3964881 1.0096744 -0.4865147 0.9508376 -3.3058989 47 O -1.8610369 -0.2539616 -0.2315824 -0.1561481 -3.2060336 -0.8010493 -0.1943159 -0.9244273 -2.2890446 48 O -3.1606146 -0.3892571 0.7212071 -0.3214783 -2.0480475 0.2675954 0.8062810 0.3969825 -2.0991050 49 O -2.6857068 0.5733054 1.0114433 0.4303134 -2.0026244 -0.2456410 0.9871759 -0.1821189 -2.6695334 50 O -2.4239515 -0.9700996 -0.8492216 -0.9319076 -3.2497556 -1.1692921 -0.6881730 -1.0748347 -2.4363360 51 O -2.1194483 0.9365630 -0.6469325 0.9752199 -3.3612827 1.1123397 -0.7061232 1.0877378 -2.6256194 52 O -2.1194483 -0.9365630 -0.6469325 -0.9752199 -3.3612827 -1.1123397 -0.7061232 -1.0877378 -2.6256194 53 O -2.4239515 0.9700996 -0.8492216 0.9319076 -3.2497556 1.1692921 -0.6881730 1.0748347 -2.4363360 54 O -2.6857068 -0.5733054 1.0114433 -0.4303134 -2.0026244 0.2456410 0.9871759 0.1821189 -2.6695334 55 O -3.1606146 0.3892571 0.7212071 0.3214783 -2.0480475 -0.2675954 0.8062810 -0.3969825 -2.0991050 56 O -1.8610369 0.2539616 -0.2315824 0.1561481 -3.2060336 0.8010493 -0.1943159 0.9244273 -2.2890446 57 O -1.8150531 -0.3248230 -0.5593583 -0.2450897 -2.3964881 -1.0096744 -0.4865147 -0.9508376 -3.3058989 58 O -2.2420673 0.7679288 -0.2921363 0.7365191 -2.9928351 0.4056931 -0.3584381 0.5484031 -2.0266459 59 O -2.8728301 -0.7549889 -0.7214529 -0.8182154 -2.2439602 -0.5115318 -0.8332831 -0.5489155 -2.1220190 60 O -3.7694703 0.0551550 1.3680650 -0.0561668 -1.9510490 0.0821838 1.2675994 0.1048045 -2.4457978 ---------------------------------------------------------------------------- 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 3, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 5, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 35, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 53, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 59, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 63, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 2026-01-09 01:33:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:33:17]------------------------- 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 9.771566730042826 0.000000000000000 0.000000000000000 b 0.000000000000000 5.494399580000001 0.000000000000000 c -9.503661535968307 0.000000000000000 14.079457456893378 Atomic positions (fractional): 1 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 2 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 3 Ca 0.21370868321858 0.00318375466095 0.22878960389814 40.078 4 Ca 0.45347030002048 0.51999047748371 0.60517895173772 40.078 5 Ca 0.87676607571844 0.48165329974572 0.07150370997261 40.078 6 Ca 0.12323392428156 0.98165329974572 0.42849629002739 40.078 7 Ca 0.54652969997951 0.01999047748371 0.89482104826228 40.078 8 Ca 0.78629131678142 0.50318375466095 0.27121039610186 40.078 9 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 10 Ca 0.21370868321858 0.49681624533905 0.72878960389814 40.078 11 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 12 Ca 0.45347030002048 0.98000952251629 0.10517895173772 40.078 13 Ca 0.87676607571844 0.01834670025428 0.57150370997261 40.078 14 Ca 0.12323392428156 0.51834670025428 0.92849629002739 40.078 15 Ca 0.54652969997951 0.48000952251629 0.39482104826228 40.078 16 Ca 0.78629131678142 0.99681624533905 0.77121039610186 40.078 17 Ta 0.67406139502241 0.50858565338855 0.83577042697718 180.948 18 Ta 0.16809247101476 0.48988610263640 0.33599094042118 180.948 19 Ta 0.32593860497760 0.00858565338855 0.66422957302282 180.948 20 Ta 0.83190752898524 0.98988610263640 0.16400905957882 180.948 21 Ta 0.16809247101476 0.01011389736360 0.83599094042118 180.948 22 Ta 0.67406139502241 0.99141434661145 0.33577042697718 180.948 23 Ta 0.83190752898524 0.51011389736360 0.66400905957882 180.948 24 Ta 0.32593860497760 0.49141434661145 0.16422957302282 180.948 25 O 0.72299030350055 0.40676481696748 0.73465692584321 15.999 26 O 0.87983864150131 0.67930625479488 0.89851883956995 15.999 27 O 0.30268697320712 0.20149559879523 0.37040011011470 15.999 28 O 0.32865763181416 0.67082165430112 0.44797201564112 15.999 29 O 0.76367924746573 0.20831693730257 0.90398164965227 15.999 30 O 0.94438325850658 0.87950477704521 0.10681942751763 15.999 31 O 0.37654662564308 0.11782063774191 0.57524437302417 15.999 32 O 0.54607570698825 0.80251310262654 0.74980005438420 15.999 33 O 0.97985039880143 0.29177431411495 0.21741865885052 15.999 34 O 0.02014960119857 0.79177431411495 0.28258134114949 15.999 35 O 0.45392429301175 0.30251310262654 0.75019994561580 15.999 36 O 0.62345337435692 0.61782063774191 0.92475562697583 15.999 37 O 0.05561674149342 0.37950477704521 0.39318057248236 15.999 38 O 0.23632075253427 0.70831693730257 0.59601835034773 15.999 39 O 0.67134236818584 0.17082165430112 0.05202798435888 15.999 40 O 0.69731302679288 0.70149559879523 0.12959988988529 15.999 41 O 0.12016135849869 0.17930625479488 0.60148116043005 15.999 42 O 0.27700969649945 0.90676481696748 0.76534307415679 15.999 43 O 0.72299030350055 0.09323518303252 0.23465692584321 15.999 44 O 0.87983864150131 0.82069374520512 0.39851883956995 15.999 45 O 0.30268697320712 0.29850440120477 0.87040011011470 15.999 46 O 0.32865763181416 0.82917834569888 0.94797201564112 15.999 47 O 0.76367924746573 0.29168306269743 0.40398164965227 15.999 48 O 0.94438325850658 0.62049522295479 0.60681942751764 15.999 49 O 0.37654662564308 0.38217936225809 0.07524437302417 15.999 50 O 0.54607570698825 0.69748689737346 0.24980005438420 15.999 51 O 0.97985039880143 0.20822568588505 0.71741865885052 15.999 52 O 0.02014960119857 0.70822568588505 0.78258134114948 15.999 53 O 0.45392429301175 0.19748689737346 0.25019994561580 15.999 54 O 0.62345337435692 0.88217936225809 0.42475562697583 15.999 55 O 0.05561674149342 0.12049522295479 0.89318057248236 15.999 56 O 0.23632075253427 0.79168306269743 0.09601835034773 15.999 57 O 0.67134236818584 0.32917834569888 0.55202798435888 15.999 58 O 0.69731302679288 0.79850440120477 0.62959988988530 15.999 59 O 0.12016135849869 0.32069374520512 0.10148116043005 15.999 60 O 0.27700969649945 0.59323518303252 0.26534307415679 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.771566730042826 0.000000000000000 0.000000000000000 b 0.000000000000000 10.988799160000003 0.000000000000000 c -9.503661535968307 0.000000000000000 14.079457456893378 Atomic positions (fractional): 1 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 1 2 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 1 3 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 3 4 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 3 5 Ca 0.21370868321858 0.00159187733048 0.22878960389814 40.078 > 5 6 Ca 0.21370868321858 0.50159187733048 0.22878960389814 40.078 > 5 7 Ca 0.45347030002048 0.25999523874185 0.60517895173772 40.078 > 7 8 Ca 0.45347030002048 0.75999523874185 0.60517895173772 40.078 > 7 9 Ca 0.87676607571844 0.24082664987286 0.07150370997261 40.078 > 9 10 Ca 0.87676607571844 0.74082664987286 0.07150370997261 40.078 > 9 11 Ca 0.12323392428156 0.49082664987286 0.42849629002739 40.078 > 11 12 Ca 0.12323392428156 0.99082664987286 0.42849629002739 40.078 > 11 13 Ca 0.54652969997951 0.00999523874185 0.89482104826228 40.078 > 13 14 Ca 0.54652969997951 0.50999523874186 0.89482104826228 40.078 > 13 15 Ca 0.78629131678142 0.25159187733048 0.27121039610186 40.078 > 15 16 Ca 0.78629131678142 0.75159187733048 0.27121039610186 40.078 > 15 17 Ca 0.00000000000000 0.25000000000000 0.50000000000000 40.078 > 17 18 Ca 0.00000000000000 0.75000000000000 0.50000000000000 40.078 > 17 19 Ca 0.21370868321858 0.24840812266952 0.72878960389814 40.078 > 19 20 Ca 0.21370868321858 0.74840812266952 0.72878960389814 40.078 > 19 21 Ca 0.50000000000000 0.25000000000000 0.00000000000000 40.078 > 21 22 Ca 0.50000000000000 0.75000000000000 0.00000000000000 40.078 > 21 23 Ca 0.45347030002048 0.49000476125815 0.10517895173772 40.078 > 23 24 Ca 0.45347030002048 0.99000476125815 0.10517895173772 40.078 > 23 25 Ca 0.87676607571844 0.00917335012714 0.57150370997261 40.078 > 25 26 Ca 0.87676607571844 0.50917335012714 0.57150370997261 40.078 > 25 27 Ca 0.12323392428156 0.25917335012714 0.92849629002739 40.078 > 27 28 Ca 0.12323392428156 0.75917335012714 0.92849629002739 40.078 > 27 29 Ca 0.54652969997951 0.24000476125814 0.39482104826228 40.078 > 29 30 Ca 0.54652969997951 0.74000476125814 0.39482104826228 40.078 > 29 31 Ca 0.78629131678142 0.49840812266952 0.77121039610186 40.078 > 31 32 Ca 0.78629131678142 0.99840812266952 0.77121039610186 40.078 > 31 33 Ta 0.67406139502241 0.25429282669427 0.83577042697718 180.948 > 33 34 Ta 0.67406139502241 0.75429282669427 0.83577042697718 180.948 > 33 35 Ta 0.16809247101476 0.24494305131820 0.33599094042118 180.948 > 35 36 Ta 0.16809247101476 0.74494305131820 0.33599094042118 180.948 > 35 37 Ta 0.32593860497760 0.00429282669427 0.66422957302282 180.948 > 37 38 Ta 0.32593860497760 0.50429282669427 0.66422957302282 180.948 > 37 39 Ta 0.83190752898524 0.49494305131820 0.16400905957882 180.948 > 39 40 Ta 0.83190752898524 0.99494305131820 0.16400905957882 180.948 > 39 41 Ta 0.16809247101476 0.00505694868180 0.83599094042118 180.948 > 41 42 Ta 0.16809247101476 0.50505694868180 0.83599094042118 180.948 > 41 43 Ta 0.67406139502241 0.49570717330573 0.33577042697718 180.948 > 43 44 Ta 0.67406139502241 0.99570717330573 0.33577042697718 180.948 > 43 45 Ta 0.83190752898524 0.25505694868180 0.66400905957882 180.948 > 45 46 Ta 0.83190752898524 0.75505694868180 0.66400905957882 180.948 > 45 47 Ta 0.32593860497760 0.24570717330573 0.16422957302282 180.948 > 47 48 Ta 0.32593860497760 0.74570717330573 0.16422957302282 180.948 > 47 49 O 0.72299030350055 0.20338240848374 0.73465692584321 15.999 > 49 50 O 0.72299030350055 0.70338240848374 0.73465692584321 15.999 > 49 51 O 0.87983864150131 0.33965312739744 0.89851883956995 15.999 > 51 52 O 0.87983864150131 0.83965312739744 0.89851883956995 15.999 > 51 53 O 0.30268697320712 0.10074779939761 0.37040011011470 15.999 > 53 54 O 0.30268697320712 0.60074779939761 0.37040011011470 15.999 > 53 55 O 0.32865763181416 0.33541082715056 0.44797201564112 15.999 > 55 56 O 0.32865763181416 0.83541082715056 0.44797201564112 15.999 > 55 57 O 0.76367924746573 0.10415846865129 0.90398164965227 15.999 > 57 58 O 0.76367924746573 0.60415846865129 0.90398164965227 15.999 > 57 59 O 0.94438325850658 0.43975238852261 0.10681942751763 15.999 > 59 60 O 0.94438325850658 0.93975238852261 0.10681942751763 15.999 > 59 61 O 0.37654662564308 0.05891031887096 0.57524437302417 15.999 > 61 62 O 0.37654662564308 0.55891031887096 0.57524437302417 15.999 > 61 63 O 0.54607570698825 0.40125655131327 0.74980005438420 15.999 > 63 64 O 0.54607570698825 0.90125655131327 0.74980005438420 15.999 > 63 65 O 0.97985039880143 0.14588715705747 0.21741865885052 15.999 > 65 66 O 0.97985039880143 0.64588715705747 0.21741865885052 15.999 > 65 67 O 0.02014960119857 0.39588715705747 0.28258134114949 15.999 > 67 68 O 0.02014960119857 0.89588715705747 0.28258134114949 15.999 > 67 69 O 0.45392429301175 0.15125655131327 0.75019994561580 15.999 > 69 70 O 0.45392429301175 0.65125655131327 0.75019994561580 15.999 > 69 71 O 0.62345337435692 0.30891031887096 0.92475562697583 15.999 > 71 72 O 0.62345337435692 0.80891031887096 0.92475562697583 15.999 > 71 73 O 0.05561674149342 0.18975238852261 0.39318057248236 15.999 > 73 74 O 0.05561674149342 0.68975238852261 0.39318057248236 15.999 > 73 75 O 0.23632075253427 0.35415846865129 0.59601835034773 15.999 > 75 76 O 0.23632075253427 0.85415846865129 0.59601835034773 15.999 > 75 77 O 0.67134236818584 0.08541082715056 0.05202798435888 15.999 > 77 78 O 0.67134236818584 0.58541082715056 0.05202798435888 15.999 > 77 79 O 0.69731302679288 0.35074779939761 0.12959988988529 15.999 > 79 80 O 0.69731302679288 0.85074779939761 0.12959988988529 15.999 > 79 81 O 0.12016135849869 0.08965312739744 0.60148116043005 15.999 > 81 82 O 0.12016135849869 0.58965312739744 0.60148116043005 15.999 > 81 83 O 0.27700969649945 0.45338240848374 0.76534307415679 15.999 > 83 84 O 0.27700969649945 0.95338240848374 0.76534307415679 15.999 > 83 85 O 0.72299030350055 0.04661759151626 0.23465692584321 15.999 > 85 86 O 0.72299030350055 0.54661759151626 0.23465692584321 15.999 > 85 87 O 0.87983864150131 0.41034687260256 0.39851883956995 15.999 > 87 88 O 0.87983864150131 0.91034687260256 0.39851883956995 15.999 > 87 89 O 0.30268697320712 0.14925220060239 0.87040011011470 15.999 > 89 90 O 0.30268697320712 0.64925220060239 0.87040011011470 15.999 > 89 91 O 0.32865763181416 0.41458917284944 0.94797201564112 15.999 > 91 92 O 0.32865763181416 0.91458917284944 0.94797201564112 15.999 > 91 93 O 0.76367924746573 0.14584153134871 0.40398164965227 15.999 > 93 94 O 0.76367924746573 0.64584153134871 0.40398164965227 15.999 > 93 95 O 0.94438325850658 0.31024761147739 0.60681942751764 15.999 > 95 96 O 0.94438325850658 0.81024761147739 0.60681942751764 15.999 > 95 97 O 0.37654662564308 0.19108968112904 0.07524437302417 15.999 > 97 98 O 0.37654662564308 0.69108968112904 0.07524437302417 15.999 > 97 99 O 0.54607570698825 0.34874344868673 0.24980005438420 15.999 > 99 100 O 0.54607570698825 0.84874344868673 0.24980005438420 15.999 > 99 101 O 0.97985039880143 0.10411284294253 0.71741865885052 15.999 > 101 102 O 0.97985039880143 0.60411284294253 0.71741865885052 15.999 > 101 103 O 0.02014960119857 0.35411284294253 0.78258134114948 15.999 > 103 104 O 0.02014960119857 0.85411284294253 0.78258134114948 15.999 > 103 105 O 0.45392429301175 0.09874344868673 0.25019994561580 15.999 > 105 106 O 0.45392429301175 0.59874344868673 0.25019994561580 15.999 > 105 107 O 0.62345337435692 0.44108968112904 0.42475562697583 15.999 > 107 108 O 0.62345337435692 0.94108968112904 0.42475562697583 15.999 > 107 109 O 0.05561674149342 0.06024761147739 0.89318057248236 15.999 > 109 110 O 0.05561674149342 0.56024761147739 0.89318057248236 15.999 > 109 111 O 0.23632075253427 0.39584153134871 0.09601835034773 15.999 > 111 112 O 0.23632075253427 0.89584153134871 0.09601835034773 15.999 > 111 113 O 0.67134236818584 0.16458917284944 0.55202798435888 15.999 > 113 114 O 0.67134236818584 0.66458917284944 0.55202798435888 15.999 > 113 115 O 0.69731302679288 0.39925220060239 0.62959988988530 15.999 > 115 116 O 0.69731302679288 0.89925220060239 0.62959988988530 15.999 > 115 117 O 0.12016135849869 0.16034687260256 0.10148116043005 15.999 > 117 118 O 0.12016135849869 0.66034687260256 0.10148116043005 15.999 > 117 119 O 0.27700969649945 0.29661759151626 0.26534307415679 15.999 > 119 120 O 0.27700969649945 0.79661759151626 0.26534307415679 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4238762 0.0000000 0.0380211 0.0000000 4.4750839 0.0000000 0.0380232 0.0000000 4.3038674 -------------------------- Born effective charges -------------------------- 1 Ca 2.9448605 -0.1558945 0.2198945 0.1380840 2.7253387 -0.4671425 0.0681588 0.3361256 3.0318565 2 Ca 2.6406193 0.3467903 -0.0346554 -0.3989123 2.7139673 -0.0024254 0.0330010 -0.0538553 3.3065691 3 Ca 2.5665744 0.1588123 -0.0531752 0.0472272 2.7352941 0.2333281 -0.0047727 0.0875951 1.8537031 4 Ca 2.4473802 0.0412468 0.1805507 -0.2022136 2.3550844 -0.0450233 0.0252200 -0.1698848 2.5471149 5 Ca 2.2040007 -0.2173086 -0.0090256 0.0384576 2.5079584 -0.0466319 0.0964141 -0.1461005 2.7370609 6 Ca 2.2040007 0.2173086 -0.0090256 -0.0384576 2.5079584 0.0466319 0.0964141 0.1461005 2.7370609 7 Ca 2.4473802 -0.0412468 0.1805507 0.2022136 2.3550844 0.0450233 0.0252200 0.1698848 2.5471149 8 Ca 2.5665744 -0.1588123 -0.0531752 -0.0472272 2.7352941 -0.2333281 -0.0047727 -0.0875951 1.8537031 9 Ca 2.6406193 -0.3467903 -0.0346554 0.3989123 2.7139673 0.0024254 0.0330010 0.0538553 3.3065691 10 Ca 2.5665744 -0.1588123 -0.0531752 -0.0472272 2.7352941 -0.2333281 -0.0047727 -0.0875951 1.8537031 11 Ca 2.9448605 0.1558945 0.2198945 -0.1380840 2.7253387 0.4671425 0.0681588 -0.3361256 3.0318565 12 Ca 2.4473802 -0.0412468 0.1805507 0.2022136 2.3550844 0.0450233 0.0252200 0.1698848 2.5471149 13 Ca 2.2040007 0.2173086 -0.0090256 -0.0384576 2.5079584 0.0466319 0.0964141 0.1461005 2.7370609 14 Ca 2.2040007 -0.2173086 -0.0090256 0.0384576 2.5079584 -0.0466319 0.0964141 -0.1461005 2.7370609 15 Ca 2.4473802 0.0412468 0.1805507 -0.2022136 2.3550844 -0.0450233 0.0252200 -0.1698848 2.5471149 16 Ca 2.5665744 0.1588123 -0.0531752 0.0472272 2.7352941 0.2333281 -0.0047727 0.0875951 1.8537031 17 Ta 6.3541551 -0.3423911 -0.1345169 0.6477722 6.5432314 -0.0199728 -0.0062870 0.0052491 5.9067278 18 Ta 6.5853287 0.1226116 0.1235161 -0.1437455 6.5908550 0.6874823 0.0446373 -0.1864088 5.8061803 19 Ta 6.3541551 0.3423911 -0.1345169 -0.6477722 6.5432314 0.0199728 -0.0062870 -0.0052491 5.9067278 20 Ta 6.5853287 -0.1226116 0.1235161 0.1437455 6.5908550 -0.6874823 0.0446373 0.1864088 5.8061803 21 Ta 6.5853287 -0.1226116 0.1235161 0.1437455 6.5908550 -0.6874823 0.0446373 0.1864088 5.8061803 22 Ta 6.3541551 0.3423911 -0.1345169 -0.6477722 6.5432314 0.0199728 -0.0062870 -0.0052491 5.9067278 23 Ta 6.5853287 0.1226116 0.1235161 -0.1437455 6.5908550 0.6874823 0.0446373 -0.1864088 5.8061803 24 Ta 6.3541551 -0.3423911 -0.1345169 0.6477722 6.5432314 -0.0199728 -0.0062870 0.0052491 5.9067278 25 O -3.7694703 0.0551550 1.3680650 -0.0561668 -1.9510490 0.0821838 1.2675994 0.1048045 -2.4457978 26 O -2.8728301 -0.7549889 -0.7214529 -0.8182154 -2.2439602 -0.5115318 -0.8332831 -0.5489155 -2.1220190 27 O -2.2420673 0.7679288 -0.2921363 0.7365191 -2.9928351 0.4056931 -0.3584381 0.5484031 -2.0266459 28 O -1.8150531 -0.3248230 -0.5593583 -0.2450897 -2.3964881 -1.0096744 -0.4865147 -0.9508376 -3.3058989 29 O -1.8610369 0.2539616 -0.2315824 0.1561481 -3.2060336 0.8010493 -0.1943159 0.9244273 -2.2890446 30 O -3.1606146 0.3892571 0.7212071 0.3214783 -2.0480475 -0.2675954 0.8062810 -0.3969825 -2.0991050 31 O -2.6857068 -0.5733054 1.0114433 -0.4303134 -2.0026244 0.2456410 0.9871759 0.1821189 -2.6695334 32 O -2.4239515 0.9700996 -0.8492216 0.9319076 -3.2497556 1.1692921 -0.6881730 1.0748347 -2.4363360 33 O -2.1194483 -0.9365630 -0.6469325 -0.9752199 -3.3612827 -1.1123397 -0.7061232 -1.0877378 -2.6256194 34 O -2.1194483 0.9365630 -0.6469325 0.9752199 -3.3612827 1.1123397 -0.7061232 1.0877378 -2.6256194 35 O -2.4239515 -0.9700996 -0.8492216 -0.9319076 -3.2497556 -1.1692921 -0.6881730 -1.0748347 -2.4363360 36 O -2.6857068 0.5733054 1.0114433 0.4303134 -2.0026244 -0.2456410 0.9871759 -0.1821189 -2.6695334 37 O -3.1606146 -0.3892571 0.7212071 -0.3214783 -2.0480475 0.2675954 0.8062810 0.3969825 -2.0991050 38 O -1.8610369 -0.2539616 -0.2315824 -0.1561481 -3.2060336 -0.8010493 -0.1943159 -0.9244273 -2.2890446 39 O -1.8150531 0.3248230 -0.5593583 0.2450897 -2.3964881 1.0096744 -0.4865147 0.9508376 -3.3058989 40 O -2.2420673 -0.7679288 -0.2921363 -0.7365191 -2.9928351 -0.4056931 -0.3584381 -0.5484031 -2.0266459 41 O -2.8728301 0.7549889 -0.7214529 0.8182154 -2.2439602 0.5115318 -0.8332831 0.5489155 -2.1220190 42 O -3.7694703 -0.0551550 1.3680650 0.0561668 -1.9510490 -0.0821838 1.2675994 -0.1048045 -2.4457978 43 O -3.7694703 -0.0551550 1.3680650 0.0561668 -1.9510490 -0.0821838 1.2675994 -0.1048045 -2.4457978 44 O -2.8728301 0.7549889 -0.7214529 0.8182154 -2.2439602 0.5115318 -0.8332831 0.5489155 -2.1220190 45 O -2.2420673 -0.7679288 -0.2921363 -0.7365191 -2.9928351 -0.4056931 -0.3584381 -0.5484031 -2.0266459 46 O -1.8150531 0.3248230 -0.5593583 0.2450897 -2.3964881 1.0096744 -0.4865147 0.9508376 -3.3058989 47 O -1.8610369 -0.2539616 -0.2315824 -0.1561481 -3.2060336 -0.8010493 -0.1943159 -0.9244273 -2.2890446 48 O -3.1606146 -0.3892571 0.7212071 -0.3214783 -2.0480475 0.2675954 0.8062810 0.3969825 -2.0991050 49 O -2.6857068 0.5733054 1.0114433 0.4303134 -2.0026244 -0.2456410 0.9871759 -0.1821189 -2.6695334 50 O -2.4239515 -0.9700996 -0.8492216 -0.9319076 -3.2497556 -1.1692921 -0.6881730 -1.0748347 -2.4363360 51 O -2.1194483 0.9365630 -0.6469325 0.9752199 -3.3612827 1.1123397 -0.7061232 1.0877378 -2.6256194 52 O -2.1194483 -0.9365630 -0.6469325 -0.9752199 -3.3612827 -1.1123397 -0.7061232 -1.0877378 -2.6256194 53 O -2.4239515 0.9700996 -0.8492216 0.9319076 -3.2497556 1.1692921 -0.6881730 1.0748347 -2.4363360 54 O -2.6857068 -0.5733054 1.0114433 -0.4303134 -2.0026244 0.2456410 0.9871759 0.1821189 -2.6695334 55 O -3.1606146 0.3892571 0.7212071 0.3214783 -2.0480475 -0.2675954 0.8062810 -0.3969825 -2.0991050 56 O -1.8610369 0.2539616 -0.2315824 0.1561481 -3.2060336 0.8010493 -0.1943159 0.9244273 -2.2890446 57 O -1.8150531 -0.3248230 -0.5593583 -0.2450897 -2.3964881 -1.0096744 -0.4865147 -0.9508376 -3.3058989 58 O -2.2420673 0.7679288 -0.2921363 0.7365191 -2.9928351 0.4056931 -0.3584381 0.5484031 -2.0266459 59 O -2.8728301 -0.7549889 -0.7214529 -0.8182154 -2.2439602 -0.5115318 -0.8332831 -0.5489155 -2.1220190 60 O -3.7694703 0.0551550 1.3680650 -0.0561668 -1.9510490 0.0821838 1.2675994 0.1048045 -2.4457978 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 305, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 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 1.928 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.265 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.389 ( 0.000 0.000 0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.570 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 2.875 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.371 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.778 ( 0.000 0.000 0.000) 0.000 3.851 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 3.957 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 4.219 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.887 ( 0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 4.929 ( 0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 5.062 ( 0.000 0.000 0.000) 0.000 5.248 ( 0.000 0.000 0.000) 0.000 5.254 ( 0.000 0.000 0.000) 0.000 5.339 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.386 ( 0.000 0.000 0.000) 0.000 5.525 ( 0.000 0.000 0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 5.579 ( 0.000 0.000 0.000) 0.000 5.579 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 5.963 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 0.000) 0.000 6.274 ( 0.000 0.000 0.000) 0.000 6.337 ( 0.000 0.000 0.000) 0.000 6.352 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.515 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 6.597 ( 0.000 0.000 0.000) 0.000 6.625 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 6.890 ( 0.000 0.000 0.000) 0.000 6.956 ( 0.000 0.000 0.000) 0.000 6.985 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.108 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.223 ( 0.000 0.000 0.000) 0.000 7.321 ( 0.000 0.000 0.000) 0.000 7.507 ( 0.000 0.000 0.000) 0.000 7.620 ( 0.000 0.000 0.000) 0.000 7.702 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 0.000) 0.000 7.722 ( 0.000 0.000 0.000) 0.000 7.817 ( 0.000 0.000 0.000) 0.000 7.842 ( 0.000 0.000 0.000) 0.000 7.943 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.117 ( 0.000 0.000 0.000) 0.000 8.117 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.304 ( 0.000 0.000 0.000) 0.000 8.421 ( 0.000 0.000 0.000) 0.000 8.482 ( 0.000 0.000 0.000) 0.000 8.565 ( 0.000 0.000 0.000) 0.000 8.580 ( 0.000 0.000 0.000) 0.000 8.653 ( 0.000 0.000 0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 8.722 ( 0.000 0.000 0.000) 0.000 8.814 ( 0.000 0.000 0.000) 0.000 8.863 ( 0.000 0.000 0.000) 0.000 8.910 ( 0.000 0.000 0.000) 0.000 9.061 ( 0.000 0.000 0.000) 0.000 9.208 ( 0.000 0.000 0.000) 0.000 9.313 ( 0.000 0.000 0.000) 0.000 9.314 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 9.552 ( 0.000 0.000 0.000) 0.000 9.616 ( 0.000 0.000 0.000) 0.000 9.638 ( 0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 0.000) 0.000 9.657 ( 0.000 0.000 0.000) 0.000 9.820 ( 0.000 0.000 0.000) 0.000 9.866 ( 0.000 0.000 0.000) 0.000 10.106 ( 0.000 0.000 0.000) 0.000 10.220 ( 0.000 0.000 0.000) 0.000 10.281 ( 0.000 0.000 0.000) 0.000 10.433 ( 0.000 0.000 0.000) 0.000 10.631 ( 0.000 0.000 0.000) 0.000 10.805 ( 0.000 0.000 0.000) 0.000 11.098 ( 0.000 0.000 0.000) 0.000 11.107 ( 0.000 0.000 0.000) 0.000 11.210 ( 0.000 0.000 0.000) 0.000 11.315 ( 0.000 0.000 0.000) 0.000 11.348 ( 0.000 0.000 0.000) 0.000 11.519 ( 0.000 0.000 0.000) 0.000 11.700 ( 0.000 0.000 0.000) 0.000 11.833 ( 0.000 0.000 0.000) 0.000 11.929 ( 0.000 0.000 0.000) 0.000 11.980 ( 0.000 0.000 0.000) 0.000 12.000 ( 0.000 0.000 0.000) 0.000 12.192 ( 0.000 0.000 0.000) 0.000 12.291 ( 0.000 0.000 0.000) 0.000 12.325 ( 0.000 0.000 0.000) 0.000 12.524 ( 0.000 0.000 0.000) 0.000 12.780 ( 0.000 0.000 0.000) 0.000 12.944 ( 0.000 0.000 0.000) 0.000 13.076 ( 0.000 0.000 0.000) 0.000 13.114 ( 0.000 0.000 0.000) 0.000 13.162 ( 0.000 0.000 0.000) 0.000 13.190 ( 0.000 0.000 0.000) 0.000 13.210 ( 0.000 0.000 0.000) 0.000 13.448 ( 0.000 0.000 0.000) 0.000 13.511 ( 0.000 0.000 0.000) 0.000 13.518 ( 0.000 0.000 0.000) 0.000 13.722 ( 0.000 0.000 0.000) 0.000 13.765 ( 0.000 0.000 0.000) 0.000 13.927 ( 0.000 0.000 0.000) 0.000 14.028 ( 0.000 0.000 0.000) 0.000 14.057 ( 0.000 0.000 0.000) 0.000 15.120 ( 0.000 0.000 0.000) 0.000 15.174 ( 0.000 0.000 0.000) 0.000 15.215 ( 0.000 0.000 0.000) 0.000 15.236 ( 0.000 0.000 0.000) 0.000 15.573 ( 0.000 0.000 0.000) 0.000 15.585 ( 0.000 0.000 0.000) 0.000 15.861 ( 0.000 0.000 0.000) 0.000 15.884 ( 0.000 0.000 0.000) 0.000 15.908 ( 0.000 0.000 0.000) 0.000 15.911 ( 0.000 0.000 0.000) 0.000 16.407 ( 0.000 0.000 0.000) 0.000 18.130 ( 0.000 0.000 0.000) 0.000 18.276 ( 0.000 0.000 0.000) 0.000 18.294 ( 0.000 0.000 0.000) 0.000 18.384 ( 0.000 0.000 0.000) 0.000 18.407 ( 0.000 0.000 0.000) 0.000 18.531 ( 0.000 0.000 0.000) 0.000 18.730 ( 0.000 0.000 0.000) 0.000 18.747 ( 0.000 0.000 0.000) 0.000 18.787 ( 0.000 0.000 0.000) 0.000 18.860 ( 0.000 0.000 0.000) 0.000 19.006 ( 0.000 0.000 0.000) 0.000 19.089 ( 0.000 0.000 0.000) 0.000 19.382 ( 0.000 0.000 0.000) 0.000 19.390 ( 0.000 0.000 0.000) 0.000 20.949 ( 0.000 0.000 0.000) 0.000 21.348 ( 0.000 0.000 0.000) 0.000 21.657 ( 0.000 0.000 0.000) 0.000 23.300 ( 0.000 0.000 0.000) 0.000 23.343 ( 0.000 0.000 0.000) 0.000 23.540 ( 0.000 0.000 0.000) 0.000 23.602 ( 0.000 0.000 0.000) 0.000 23.661 ( 0.000 0.000 0.000) 0.000 23.664 ( 0.000 0.000 0.000) 0.000 23.823 ( 0.000 0.000 0.000) 0.000 24.026 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 25.063 0.000 19.634) 31.838 0.663 ( 24.274 0.000 19.998) 31.451 1.231 ( 45.750 0.000 34.568) 57.342 1.867 ( 7.937 0.000 -18.203) 19.858 1.919 ( 0.679 0.000 -21.185) 21.196 2.229 ( -2.332 0.000 5.239) 5.734 2.361 ( 0.790 0.000 1.405) 1.612 2.393 ( -14.930 0.000 3.892) 15.429 2.435 ( -3.124 0.000 0.741) 3.211 2.645 ( 3.545 0.000 -1.672) 3.919 2.687 ( -0.244 0.000 9.294) 9.297 2.811 ( -1.582 0.000 -2.670) 3.104 2.870 ( -6.308 0.000 -0.625) 6.339 2.936 ( 2.198 0.000 3.982) 4.548 3.110 ( 1.327 0.000 -1.255) 1.827 3.192 ( 2.099 0.000 2.246) 3.074 3.310 ( -3.545 0.000 -0.095) 3.546 3.378 ( 3.526 0.000 -8.132) 8.864 3.387 ( 3.929 0.000 -6.498) 7.594 3.472 ( 9.298 0.000 -4.175) 10.193 3.592 ( 1.417 0.000 -4.784) 4.989 3.757 ( 0.974 0.000 -4.065) 4.180 3.784 ( 1.462 0.000 -0.075) 1.464 3.848 ( -4.685 0.000 0.191) 4.689 3.925 ( 0.948 0.000 -5.908) 5.984 3.989 ( -6.757 0.000 2.729) 7.287 4.012 ( 1.812 0.000 -2.570) 3.145 4.020 ( 3.212 0.000 -1.642) 3.607 4.167 ( 1.824 0.000 -8.759) 8.947 4.364 ( -1.393 0.000 -9.588) 9.689 4.496 ( -3.256 0.000 3.273) 4.617 4.512 ( 4.374 0.000 2.213) 4.902 4.542 ( 3.131 0.000 6.824) 7.508 4.664 ( -3.476 0.000 -5.082) 6.157 4.828 ( -5.799 0.000 6.237) 8.517 4.923 ( 1.498 0.000 11.708) 11.804 4.955 ( -4.581 0.000 2.593) 5.264 5.036 ( 2.142 0.000 -3.881) 4.433 5.124 ( 7.368 0.000 4.659) 8.718 5.201 ( 1.996 0.000 -8.742) 8.967 5.313 ( -0.349 0.000 -4.479) 4.492 5.374 ( -3.450 0.000 0.079) 3.451 5.399 ( -2.176 0.000 -1.575) 2.686 5.404 ( -8.283 0.000 7.494) 11.170 5.451 ( 2.279 0.000 5.490) 5.944 5.498 ( -1.645 0.000 0.230) 1.661 5.575 ( -2.171 0.000 4.174) 4.705 5.601 ( 0.785 0.000 -1.742) 1.911 5.619 ( 0.515 0.000 0.383) 0.641 5.715 ( -7.755 0.000 -6.714) 10.257 5.774 ( -6.596 0.000 -2.707) 7.130 5.880 ( 0.268 0.000 -2.645) 2.658 5.881 ( -1.970 0.000 -1.602) 2.539 5.955 ( -0.029 0.000 -1.922) 1.922 5.977 ( 9.047 0.000 3.867) 9.838 6.141 ( 3.575 0.000 2.032) 4.112 6.275 ( 1.252 0.000 3.151) 3.391 6.407 ( -4.686 0.000 1.668) 4.974 6.409 ( 4.825 0.000 -1.741) 5.129 6.450 ( -5.404 0.000 -13.662) 14.692 6.461 ( 0.520 0.000 -5.118) 5.144 6.528 ( 10.847 0.000 -3.541) 11.411 6.550 ( 1.121 0.000 -0.609) 1.276 6.718 ( 4.373 0.000 -1.699) 4.691 6.907 ( -1.217 0.000 -2.424) 2.712 6.955 ( 0.435 0.000 6.735) 6.749 7.008 ( -6.759 0.000 8.749) 11.056 7.019 ( 1.016 0.000 -0.160) 1.028 7.101 ( -6.956 0.000 5.086) 8.617 7.136 ( -0.311 0.000 2.494) 2.513 7.264 ( -5.831 0.000 0.028) 5.831 7.338 ( 1.922 0.000 3.655) 4.129 7.409 ( -6.585 0.000 0.989) 6.659 7.510 ( 7.420 0.000 -11.742) 13.890 7.607 ( -5.705 0.000 7.499) 9.423 7.624 ( -10.044 0.000 -5.138) 11.282 7.717 ( -1.914 0.000 -7.731) 7.964 7.738 ( 12.782 0.000 -1.180) 12.836 7.839 ( 2.445 0.000 3.603) 4.354 7.874 ( 4.647 0.000 -1.244) 4.811 7.902 ( -0.431 0.000 -1.992) 2.038 7.989 ( 10.485 0.000 0.963) 10.529 8.136 ( 0.285 0.000 -11.018) 11.021 8.235 ( 1.801 0.000 2.985) 3.487 8.253 ( 1.952 0.000 -6.763) 7.039 8.347 ( -6.042 0.000 2.034) 6.375 8.425 ( 4.690 0.000 2.617) 5.371 8.528 ( 17.314 0.000 3.394) 17.644 8.573 ( -2.404 0.000 -6.372) 6.811 8.672 ( 3.086 0.000 3.787) 4.885 8.699 ( 4.655 0.000 -1.683) 4.950 8.715 ( 6.721 0.000 -2.248) 7.086 8.891 ( 6.288 0.000 -4.316) 7.627 8.945 ( 3.674 0.000 4.564) 5.859 8.980 ( 6.228 0.000 2.648) 6.767 9.102 ( 1.600 0.000 3.706) 4.036 9.159 ( -0.029 0.000 -6.238) 6.238 9.219 ( -1.340 0.000 1.755) 2.208 9.286 ( -1.886 0.000 -1.486) 2.401 9.387 ( -1.000 0.000 -0.187) 1.017 9.527 ( 6.107 0.000 -5.483) 8.208 9.539 ( 1.231 0.000 -3.732) 3.930 9.627 ( 0.858 0.000 3.138) 3.253 9.661 ( 1.998 0.000 -2.241) 3.003 9.729 ( 1.194 0.000 4.440) 4.598 9.771 ( 3.486 0.000 8.108) 8.826 9.813 ( 0.185 0.000 -1.126) 1.141 10.112 ( 0.181 0.000 2.526) 2.532 10.129 ( -4.974 0.000 -5.321) 7.284 10.263 ( -2.085 0.000 -1.028) 2.325 10.476 ( -1.832 0.000 12.605) 12.738 10.478 ( -10.367 0.000 -8.150) 13.187 10.863 ( -0.162 0.000 5.522) 5.525 10.953 ( -14.734 0.000 -10.345) 18.003 10.993 ( -9.818 0.000 5.236) 11.127 11.173 ( 2.897 0.000 4.680) 5.504 11.309 ( -2.648 0.000 -1.938) 3.282 11.327 ( -0.478 0.000 -8.517) 8.530 11.417 ( 6.803 0.000 2.133) 7.129 11.633 ( -14.667 0.000 -0.138) 14.668 11.700 ( 1.228 0.000 -1.620) 2.032 11.863 ( -8.352 0.000 2.338) 8.673 11.917 ( 2.656 0.000 -3.532) 4.419 12.028 ( -0.982 0.000 0.065) 0.984 12.241 ( 8.063 0.000 4.709) 9.338 12.273 ( 1.661 0.000 -4.396) 4.700 12.420 ( 6.967 0.000 1.156) 7.062 12.515 ( 1.996 0.000 -0.302) 2.019 12.748 ( -3.280 0.000 7.969) 8.618 12.762 ( 0.300 0.000 -3.390) 3.403 12.968 ( 4.901 0.000 -6.313) 7.992 13.081 ( -2.353 0.000 0.895) 2.518 13.160 ( 0.363 0.000 1.175) 1.230 13.198 ( 2.726 0.000 1.300) 3.020 13.242 ( 5.330 0.000 2.147) 5.746 13.244 ( 7.709 0.000 -0.810) 7.752 13.490 ( -0.464 0.000 -3.764) 3.793 13.501 ( -2.981 0.000 3.132) 4.324 13.595 ( 2.677 0.000 -3.065) 4.070 13.713 ( -0.451 0.000 -0.805) 0.922 13.811 ( -4.693 0.000 2.803) 5.466 13.921 ( -0.852 0.000 -0.395) 0.939 14.026 ( -0.717 0.000 0.612) 0.943 14.046 ( -1.303 0.000 0.067) 1.305 15.162 ( 4.503 0.000 0.162) 4.506 15.253 ( 4.969 0.000 -1.229) 5.119 15.295 ( 5.648 0.000 1.415) 5.823 15.536 ( 7.184 0.000 -12.524) 14.438 15.602 ( 2.591 0.000 -0.615) 2.663 15.613 ( 13.474 0.000 -14.914) 20.099 15.858 ( -1.035 0.000 0.982) 1.427 15.872 ( -0.719 0.000 -3.956) 4.021 15.923 ( 0.666 0.000 0.925) 1.140 16.105 ( 7.767 0.000 -4.873) 9.169 17.419 ( -47.255 0.000 51.940) 70.220 17.809 ( -32.514 0.000 -1.690) 32.558 18.202 ( -5.762 0.000 0.285) 5.769 18.378 ( -1.142 0.000 1.005) 1.521 18.397 ( 2.153 0.000 0.152) 2.158 18.596 ( 4.748 0.000 0.121) 4.749 18.717 ( -2.572 0.000 3.039) 3.982 18.748 ( -2.609 0.000 -0.609) 2.679 18.764 ( 1.081 0.000 0.363) 1.140 18.769 ( 2.082 0.000 0.642) 2.179 19.030 ( 1.806 0.000 1.346) 2.253 19.069 ( -0.514 0.000 -2.299) 2.356 19.301 ( -0.265 0.000 -1.333) 1.359 19.345 ( -4.254 0.000 0.049) 4.254 21.125 ( 15.261 0.000 3.177) 15.588 21.388 ( 2.201 0.000 2.750) 3.522 21.632 ( 0.697 0.000 -4.420) 4.475 21.884 ( 17.857 0.000 -27.161) 32.505 23.299 ( -0.474 0.000 0.660) 0.812 23.359 ( -0.157 0.000 0.563) 0.585 23.517 ( -1.054 0.000 -0.838) 1.347 23.586 ( -1.686 0.000 0.444) 1.744 23.675 ( 2.275 0.000 0.165) 2.281 23.731 ( 4.141 0.000 -1.513) 4.408 23.951 ( -8.885 0.000 10.372) 13.657 24.015 ( -1.273 0.000 -0.078) 1.276 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 20.440 0.000 17.529) 26.927 1.299 ( 23.539 0.000 19.430) 30.522 1.789 ( 13.525 0.000 -17.046) 21.760 1.829 ( 14.562 0.000 -18.717) 23.715 2.146 ( -18.250 0.000 6.456) 19.358 2.190 ( -6.905 0.000 -3.887) 7.924 2.196 ( 10.611 0.000 11.632) 15.745 2.282 ( -17.103 0.000 2.903) 17.348 2.442 ( 11.765 0.000 4.725) 12.679 2.553 ( -0.594 0.000 4.280) 4.321 2.701 ( 0.337 0.000 4.474) 4.487 2.832 ( -0.470 0.000 1.170) 1.261 2.864 ( 5.331 0.000 -2.276) 5.796 3.051 ( 0.815 0.000 -1.991) 2.151 3.075 ( -11.167 0.000 -0.935) 11.206 3.171 ( 9.525 0.000 2.713) 9.903 3.311 ( 3.038 0.000 -2.583) 3.988 3.356 ( 4.211 0.000 -7.394) 8.509 3.382 ( 2.737 0.000 1.656) 3.199 3.614 ( 8.078 0.000 -0.696) 8.108 3.644 ( 2.110 0.000 -1.618) 2.659 3.653 ( -4.689 0.000 -8.709) 9.891 3.775 ( 1.934 0.000 -1.264) 2.311 3.801 ( -1.406 0.000 3.494) 3.766 3.868 ( -3.215 0.000 -1.120) 3.404 3.938 ( -5.413 0.000 3.598) 6.500 3.956 ( 5.798 0.000 -8.276) 10.105 4.072 ( -0.963 0.000 5.179) 5.268 4.214 ( -5.355 0.000 -2.156) 5.773 4.239 ( 1.035 0.000 -6.973) 7.050 4.380 ( -1.876 0.000 -2.086) 2.805 4.481 ( -4.103 0.000 -2.603) 4.859 4.497 ( -4.487 0.000 -3.303) 5.572 4.663 ( 1.871 0.000 5.219) 5.544 4.812 ( -8.491 0.000 1.303) 8.591 4.910 ( -13.610 0.000 -0.328) 13.614 5.002 ( 2.734 0.000 13.300) 13.578 5.055 ( -1.944 0.000 4.160) 4.592 5.176 ( 0.694 0.000 -0.411) 0.806 5.191 ( 5.952 0.000 -6.718) 8.976 5.277 ( 2.159 0.000 -1.603) 2.689 5.299 ( -3.526 0.000 -3.939) 5.287 5.366 ( 3.704 0.000 4.730) 6.008 5.461 ( -9.439 0.000 -5.592) 10.971 5.468 ( -3.527 0.000 6.442) 7.344 5.479 ( 0.271 0.000 -1.630) 1.652 5.527 ( -1.122 0.000 7.649) 7.730 5.593 ( -1.867 0.000 -0.280) 1.887 5.616 ( 7.643 0.000 -4.788) 9.019 5.678 ( 5.555 0.000 -0.303) 5.564 5.752 ( 5.936 0.000 7.512) 9.574 5.833 ( -10.368 0.000 0.876) 10.405 5.860 ( -1.332 0.000 0.217) 1.350 5.928 ( 0.771 0.000 -1.507) 1.693 6.040 ( -14.478 0.000 -15.057) 20.888 6.110 ( 1.517 0.000 3.295) 3.627 6.143 ( 0.419 0.000 -8.574) 8.585 6.288 ( -3.620 0.000 1.061) 3.772 6.429 ( 1.880 0.000 0.140) 1.885 6.486 ( 7.012 0.000 2.478) 7.437 6.535 ( 11.724 0.000 -6.214) 13.269 6.687 ( 10.067 0.000 3.402) 10.627 6.695 ( 6.085 0.000 1.223) 6.207 6.796 ( 8.075 0.000 0.833) 8.118 6.854 ( -2.934 0.000 0.855) 3.056 6.931 ( -15.548 0.000 3.780) 16.001 7.007 ( 2.117 0.000 -1.477) 2.581 7.037 ( -0.806 0.000 7.258) 7.302 7.087 ( 3.486 0.000 2.112) 4.076 7.148 ( -3.090 0.000 4.145) 5.170 7.206 ( -3.340 0.000 7.481) 8.192 7.214 ( -8.590 0.000 -5.667) 10.291 7.356 ( -4.024 0.000 -0.455) 4.049 7.380 ( -10.311 0.000 -4.307) 11.174 7.530 ( -10.695 0.000 2.999) 11.108 7.580 ( 0.076 0.000 0.815) 0.819 7.685 ( 1.145 0.000 -1.520) 1.903 7.741 ( 2.143 0.000 6.240) 6.598 7.812 ( -2.062 0.000 -5.305) 5.692 7.958 ( 8.640 0.000 -1.446) 8.760 7.994 ( -1.263 0.000 -7.420) 7.526 8.099 ( 5.207 0.000 2.314) 5.698 8.143 ( -1.658 0.000 -1.994) 2.593 8.199 ( -0.451 0.000 -4.703) 4.725 8.236 ( 3.766 0.000 -3.715) 5.290 8.374 ( 4.151 0.000 4.382) 6.036 8.532 ( 9.324 0.000 2.896) 9.763 8.554 ( 0.911 0.000 5.362) 5.439 8.744 ( 6.541 0.000 -6.534) 9.245 8.802 ( 0.941 0.000 0.161) 0.954 8.823 ( 5.872 0.000 8.561) 10.381 8.881 ( 13.741 0.000 -0.071) 13.741 8.932 ( 5.457 0.000 -1.713) 5.719 9.008 ( -1.315 0.000 -10.520) 10.601 9.067 ( 1.575 0.000 5.481) 5.703 9.084 ( 3.412 0.000 -2.999) 4.543 9.230 ( -2.422 0.000 -2.190) 3.265 9.257 ( 6.877 0.000 4.922) 8.457 9.292 ( 6.400 0.000 5.864) 8.681 9.377 ( -0.099 0.000 0.075) 0.124 9.532 ( 3.290 0.000 -2.305) 4.017 9.588 ( 6.162 0.000 -3.279) 6.980 9.634 ( 0.795 0.000 -4.917) 4.981 9.660 ( -3.712 0.000 5.199) 6.388 9.767 ( -3.512 0.000 -3.038) 4.643 9.830 ( 3.919 0.000 6.146) 7.289 9.912 ( 6.400 0.000 -0.230) 6.404 10.018 ( 0.687 0.000 -4.576) 4.627 10.153 ( -13.044 0.000 -9.602) 16.197 10.201 ( 2.746 0.000 7.803) 8.272 10.203 ( -3.657 0.000 -0.198) 3.663 10.549 ( -18.220 0.000 1.325) 18.268 10.638 ( 5.175 0.000 0.191) 5.178 10.752 ( -10.996 0.000 1.267) 11.069 11.078 ( 2.714 0.000 9.560) 9.937 11.147 ( -3.196 0.000 -14.533) 14.880 11.194 ( -7.642 0.000 -5.272) 9.284 11.288 ( 2.020 0.000 8.045) 8.295 11.361 ( -13.837 0.000 3.484) 14.269 11.506 ( 2.898 0.000 -3.899) 4.858 11.701 ( 0.438 0.000 -1.081) 1.167 11.785 ( -4.178 0.000 2.638) 4.941 11.925 ( 1.380 0.000 -1.426) 1.984 12.016 ( -0.572 0.000 1.495) 1.601 12.263 ( 1.471 0.000 -0.752) 1.652 12.455 ( 8.664 0.000 5.113) 10.061 12.494 ( 1.831 0.000 -3.749) 4.172 12.542 ( 1.770 0.000 -0.700) 1.904 12.741 ( -3.990 0.000 1.748) 4.356 12.746 ( 3.253 0.000 -2.856) 4.329 12.996 ( -5.438 0.000 -1.503) 5.642 13.004 ( 3.398 0.000 -2.578) 4.265 13.216 ( 1.474 0.000 4.592) 4.823 13.268 ( 3.541 0.000 3.943) 5.300 13.386 ( 9.299 0.000 -3.254) 9.852 13.411 ( 5.769 0.000 -0.250) 5.774 13.419 ( 0.792 0.000 0.092) 0.797 13.492 ( -4.487 0.000 6.409) 7.824 13.596 ( 0.586 0.000 -1.850) 1.940 13.692 ( -0.266 0.000 -2.149) 2.165 13.740 ( -3.757 0.000 -2.066) 4.287 13.876 ( -2.523 0.000 -2.252) 3.382 14.016 ( -1.907 0.000 -0.217) 1.919 14.020 ( -0.569 0.000 0.442) 0.721 15.265 ( 6.424 0.000 1.031) 6.507 15.357 ( 7.250 0.000 0.096) 7.250 15.410 ( 3.711 0.000 2.940) 4.735 15.496 ( -0.537 0.000 -5.005) 5.034 15.645 ( 4.944 0.000 -5.722) 7.562 15.659 ( 6.321 0.000 -7.121) 9.522 15.799 ( -2.416 0.000 -3.156) 3.975 15.852 ( -1.117 0.000 1.458) 1.837 16.027 ( 9.882 0.000 6.399) 11.773 16.253 ( 12.201 0.000 0.747) 12.224 17.120 ( -37.788 0.000 -7.767) 38.578 17.135 ( -29.121 0.000 14.557) 32.556 18.127 ( -3.724 0.000 1.098) 3.882 18.378 ( -0.482 0.000 1.560) 1.633 18.417 ( 0.882 0.000 -0.748) 1.156 18.651 ( 0.502 0.000 0.757) 0.909 18.711 ( -1.350 0.000 1.635) 2.120 18.720 ( 0.764 0.000 -0.515) 0.921 18.778 ( 0.408 0.000 -0.612) 0.736 18.818 ( 2.475 0.000 0.510) 2.527 19.032 ( -0.402 0.000 -2.253) 2.288 19.090 ( 2.678 0.000 1.680) 3.162 19.275 ( -3.558 0.000 -0.082) 3.559 19.276 ( -1.394 0.000 -0.207) 1.410 21.416 ( 9.261 0.000 6.965) 11.588 21.459 ( 1.710 0.000 2.642) 3.147 21.599 ( 2.862 0.000 -6.303) 6.922 21.875 ( 5.927 0.000 -9.393) 11.106 23.303 ( -0.038 0.000 0.855) 0.856 23.318 ( -3.008 0.000 -1.327) 3.287 23.505 ( 0.198 0.000 -0.194) 0.278 23.562 ( -1.530 0.000 0.181) 1.541 23.762 ( 5.360 0.000 2.196) 5.792 23.780 ( 3.886 0.000 -2.078) 4.407 23.904 ( -5.774 0.000 3.692) 6.853 23.979 ( -2.226 0.000 -0.911) 2.405 ======================= Grid point 3 (4/70) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -0.000 0.000 0.000) 0.000 1.836 ( 0.000 0.000 0.000) 0.000 1.856 ( -0.000 0.000 -0.000) 0.000 1.942 ( -0.000 0.000 0.000) 0.000 1.961 ( -0.000 0.000 0.000) 0.000 1.983 ( -0.000 0.000 -0.000) 0.000 2.006 ( 0.000 0.000 -0.000) 0.000 2.027 ( 0.000 0.000 0.000) 0.000 2.479 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.225 ( -0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 -0.000) 0.000 3.623 ( 0.000 0.000 0.000) 0.000 3.704 ( -0.000 0.000 -0.000) 0.000 3.749 ( -0.000 0.000 -0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 3.897 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 -0.000) 0.000 4.043 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.305 ( 0.000 0.000 0.000) 0.000 4.320 ( -0.000 0.000 -0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 0.000) 0.000 4.727 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 -0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.104 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.189 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.337 ( -0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 0.000) 0.000 5.561 ( -0.000 0.000 0.000) 0.000 5.579 ( 0.000 0.000 -0.000) 0.000 5.645 ( 0.000 0.000 0.000) 0.000 5.672 ( 0.000 0.000 0.000) 0.000 5.695 ( -0.000 0.000 0.000) 0.000 5.747 ( -0.000 0.000 0.000) 0.000 5.796 ( 0.000 0.000 0.000) 0.000 5.925 ( 0.000 0.000 0.000) 0.000 5.949 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.130 ( 0.000 0.000 0.000) 0.000 6.308 ( 0.000 0.000 0.000) 0.000 6.355 ( -0.000 0.000 -0.000) 0.000 6.573 ( 0.000 0.000 0.000) 0.000 6.684 ( -0.000 0.000 0.000) 0.000 6.714 ( 0.000 0.000 0.000) 0.000 6.757 ( -0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 -0.000) 0.000 6.916 ( 0.000 0.000 0.000) 0.000 6.928 ( -0.000 0.000 -0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 7.015 ( -0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.154 ( 0.000 0.000 -0.000) 0.000 7.158 ( -0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 -0.000) 0.000 7.275 ( 0.000 0.000 0.000) 0.000 7.310 ( -0.000 0.000 0.000) 0.000 7.361 ( -0.000 0.000 0.000) 0.000 7.563 ( 0.000 0.000 -0.000) 0.000 7.686 ( 0.000 0.000 0.000) 0.000 7.773 ( 0.000 0.000 0.000) 0.000 7.866 ( 0.000 0.000 0.000) 0.000 7.935 ( 0.000 0.000 -0.000) 0.000 8.062 ( 0.000 0.000 -0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.096 ( 0.000 0.000 0.000) 0.000 8.116 ( -0.000 0.000 0.000) 0.000 8.270 ( 0.000 0.000 -0.000) 0.000 8.500 ( 0.000 0.000 0.000) 0.000 8.551 ( -0.000 0.000 0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 8.764 ( -0.000 0.000 0.000) 0.000 8.780 ( 0.000 0.000 0.000) 0.000 8.885 ( -0.000 0.000 -0.000) 0.000 8.955 ( 0.000 0.000 0.000) 0.000 8.993 ( -0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 9.085 ( 0.000 0.000 0.000) 0.000 9.131 ( 0.000 0.000 0.000) 0.000 9.132 ( -0.000 0.000 -0.000) 0.000 9.369 ( 0.000 0.000 0.000) 0.000 9.387 ( 0.000 0.000 0.000) 0.000 9.435 ( 0.000 0.000 0.000) 0.000 9.539 ( -0.000 0.000 -0.000) 0.000 9.612 ( 0.000 0.000 0.000) 0.000 9.633 ( 0.000 0.000 -0.000) 0.000 9.639 ( -0.000 0.000 0.000) 0.000 9.807 ( 0.000 0.000 0.000) 0.000 9.830 ( -0.000 0.000 -0.000) 0.000 9.946 ( -0.000 0.000 0.000) 0.000 9.961 ( 0.000 0.000 -0.000) 0.000 10.055 ( 0.000 0.000 0.000) 0.000 10.157 ( 0.000 0.000 0.000) 0.000 10.295 ( -0.000 0.000 -0.000) 0.000 10.324 ( 0.000 0.000 0.000) 0.000 10.647 ( 0.000 0.000 0.000) 0.000 10.757 ( 0.000 0.000 0.000) 0.000 10.994 ( 0.000 0.000 0.000) 0.000 11.029 ( -0.000 0.000 0.000) 0.000 11.169 ( 0.000 0.000 0.000) 0.000 11.282 ( 0.000 0.000 0.000) 0.000 11.414 ( 0.000 0.000 -0.000) 0.000 11.437 ( 0.000 0.000 0.000) 0.000 11.696 ( 0.000 0.000 0.000) 0.000 11.768 ( 0.000 0.000 0.000) 0.000 11.929 ( 0.000 0.000 0.000) 0.000 12.027 ( 0.000 0.000 0.000) 0.000 12.295 ( 0.000 0.000 -0.000) 0.000 12.453 ( 0.000 0.000 0.000) 0.000 12.546 ( 0.000 0.000 0.000) 0.000 12.609 ( 0.000 0.000 0.000) 0.000 12.679 ( 0.000 0.000 0.000) 0.000 12.775 ( 0.000 0.000 0.000) 0.000 12.925 ( 0.000 0.000 -0.000) 0.000 13.012 ( 0.000 0.000 0.000) 0.000 13.299 ( 0.000 0.000 0.000) 0.000 13.317 ( 0.000 0.000 -0.000) 0.000 13.356 ( 0.000 0.000 0.000) 0.000 13.438 ( 0.000 0.000 -0.000) 0.000 13.498 ( -0.000 0.000 0.000) 0.000 13.585 ( 0.000 0.000 -0.000) 0.000 13.594 ( -0.000 0.000 -0.000) 0.000 13.627 ( 0.000 0.000 0.000) 0.000 13.678 ( 0.000 0.000 -0.000) 0.000 13.826 ( 0.000 0.000 0.000) 0.000 13.994 ( 0.000 0.000 0.000) 0.000 14.018 ( 0.000 0.000 0.000) 0.000 15.373 ( -0.000 0.000 0.000) 0.000 15.417 ( 0.000 0.000 0.000) 0.000 15.427 ( 0.000 0.000 0.000) 0.000 15.487 ( 0.000 0.000 0.000) 0.000 15.622 ( 0.000 0.000 0.000) 0.000 15.670 ( -0.000 0.000 0.000) 0.000 15.754 ( 0.000 0.000 0.000) 0.000 15.852 ( 0.000 0.000 0.000) 0.000 16.407 ( 0.000 0.000 0.000) 0.000 16.428 ( 0.000 0.000 0.000) 0.000 16.488 ( -0.000 0.000 -0.000) 0.000 16.901 ( 0.000 0.000 0.000) 0.000 18.102 ( 0.000 0.000 0.000) 0.000 18.387 ( 0.000 0.000 0.000) 0.000 18.419 ( 0.000 0.000 0.000) 0.000 18.651 ( 0.000 0.000 0.000) 0.000 18.709 ( 0.000 0.000 0.000) 0.000 18.734 ( 0.000 0.000 0.000) 0.000 18.774 ( 0.000 0.000 0.000) 0.000 18.846 ( 0.000 0.000 0.000) 0.000 19.014 ( 0.000 0.000 0.000) 0.000 19.132 ( 0.000 0.000 0.000) 0.000 19.237 ( -0.000 0.000 -0.000) 0.000 19.260 ( 0.000 0.000 0.000) 0.000 21.490 ( 0.000 0.000 0.000) 0.000 21.559 ( 0.000 0.000 -0.000) 0.000 21.570 ( -0.000 0.000 0.000) 0.000 21.872 ( 0.000 0.000 0.000) 0.000 23.277 ( 0.000 0.000 0.000) 0.000 23.310 ( 0.000 0.000 0.000) 0.000 23.508 ( 0.000 0.000 0.000) 0.000 23.547 ( 0.000 0.000 0.000) 0.000 23.810 ( 0.000 0.000 0.000) 0.000 23.845 ( 0.000 0.000 0.000) 0.000 23.863 ( 0.000 0.000 0.000) 0.000 23.936 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/70) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.000 31.910 0.000) 31.910 0.699 ( 0.000 33.910 0.000) 33.910 1.330 ( 0.000 63.204 0.000) 63.204 2.037 ( 0.000 -1.724 0.000) 1.724 2.132 ( 0.000 16.414 0.000) 16.414 2.248 ( 0.000 2.711 0.000) 2.711 2.424 ( 0.000 5.599 0.000) 5.599 2.492 ( 0.000 3.931 0.000) 3.931 2.500 ( 0.000 8.776 0.000) 8.776 2.556 ( 0.000 -0.337 0.000) 0.337 2.693 ( 0.000 5.228 0.000) 5.228 2.879 ( 0.000 1.354 0.000) 1.354 2.921 ( 0.000 1.010 0.000) 1.010 3.036 ( 0.000 0.184 0.000) 0.184 3.099 ( 0.000 -1.031 0.000) 1.031 3.155 ( 0.000 0.660 0.000) 0.660 3.277 ( 0.000 -6.341 0.000) 6.341 3.404 ( 0.000 -4.007 0.000) 4.007 3.413 ( 0.000 1.612 0.000) 1.612 3.454 ( 0.000 1.277 0.000) 1.277 3.621 ( 0.000 -8.053 0.000) 8.053 3.662 ( 0.000 -2.056 0.000) 2.056 3.695 ( 0.000 -2.206 0.000) 2.206 3.767 ( 0.000 -2.567 0.000) 2.567 3.781 ( 0.000 -8.154 0.000) 8.154 4.031 ( 0.000 1.814 0.000) 1.814 4.082 ( 0.000 1.281 0.000) 1.281 4.117 ( 0.000 -5.978 0.000) 5.978 4.139 ( 0.000 -1.869 0.000) 1.869 4.370 ( 0.000 -6.001 0.000) 6.001 4.436 ( 0.000 1.493 0.000) 1.493 4.481 ( 0.000 1.511 0.000) 1.511 4.501 ( 0.000 7.432 0.000) 7.432 4.694 ( 0.000 -15.463 0.000) 15.463 4.762 ( 0.000 -1.420 0.000) 1.420 4.807 ( 0.000 -11.314 0.000) 11.314 4.898 ( 0.000 -6.847 0.000) 6.847 4.936 ( 0.000 -9.812 0.000) 9.812 4.941 ( 0.000 -4.461 0.000) 4.461 5.076 ( 0.000 -2.347 0.000) 2.347 5.088 ( 0.000 -3.321 0.000) 3.321 5.259 ( 0.000 -10.377 0.000) 10.377 5.357 ( 0.000 -3.075 0.000) 3.075 5.411 ( 0.000 -5.270 0.000) 5.270 5.452 ( 0.000 -6.911 0.000) 6.911 5.534 ( 0.000 1.642 0.000) 1.642 5.626 ( 0.000 -1.951 0.000) 1.951 5.699 ( 0.000 -8.334 0.000) 8.334 5.703 ( 0.000 4.781 0.000) 4.781 5.799 ( 0.000 -2.083 0.000) 2.083 5.844 ( 0.000 -1.371 0.000) 1.371 5.863 ( 0.000 -0.359 0.000) 0.359 5.911 ( 0.000 -0.346 0.000) 0.346 5.996 ( 0.000 0.699 0.000) 0.699 6.091 ( 0.000 -1.804 0.000) 1.804 6.114 ( 0.000 8.376 0.000) 8.376 6.218 ( 0.000 0.614 0.000) 0.614 6.339 ( 0.000 0.161 0.000) 0.161 6.397 ( 0.000 1.567 0.000) 1.567 6.485 ( 0.000 0.488 0.000) 0.488 6.571 ( 0.000 0.563 0.000) 0.563 6.662 ( 0.000 -5.881 0.000) 5.881 6.666 ( 0.000 3.203 0.000) 3.203 6.749 ( 0.000 8.306 0.000) 8.306 6.849 ( 0.000 5.556 0.000) 5.556 6.918 ( 0.000 -4.190 0.000) 4.190 6.982 ( 0.000 -5.355 0.000) 5.355 7.004 ( 0.000 5.434 0.000) 5.434 7.081 ( 0.000 1.115 0.000) 1.115 7.178 ( 0.000 2.273 0.000) 2.273 7.196 ( 0.000 1.544 0.000) 1.544 7.474 ( 0.000 -5.491 0.000) 5.491 7.480 ( 0.000 0.178 0.000) 0.178 7.538 ( 0.000 -12.051 0.000) 12.051 7.552 ( 0.000 -7.331 0.000) 7.331 7.591 ( 0.000 -0.592 0.000) 0.592 7.667 ( 0.000 -3.138 0.000) 3.138 7.716 ( 0.000 7.020 0.000) 7.020 7.788 ( 0.000 -4.459 0.000) 4.459 7.822 ( 0.000 1.296 0.000) 1.296 7.973 ( 0.000 -12.232 0.000) 12.232 7.980 ( 0.000 -3.260 0.000) 3.260 8.082 ( 0.000 -2.916 0.000) 2.916 8.190 ( 0.000 2.162 0.000) 2.162 8.346 ( 0.000 4.033 0.000) 4.033 8.374 ( 0.000 -4.264 0.000) 4.264 8.403 ( 0.000 -5.074 0.000) 5.074 8.540 ( 0.000 6.415 0.000) 6.415 8.643 ( 0.000 -0.602 0.000) 0.602 8.731 ( 0.000 11.637 0.000) 11.637 8.758 ( 0.000 12.886 0.000) 12.886 8.793 ( 0.000 5.740 0.000) 5.740 8.895 ( 0.000 3.610 0.000) 3.610 8.916 ( 0.000 12.586 0.000) 12.586 8.983 ( 0.000 8.421 0.000) 8.421 9.015 ( 0.000 9.145 0.000) 9.145 9.109 ( 0.000 6.822 0.000) 6.822 9.236 ( 0.000 1.117 0.000) 1.117 9.251 ( 0.000 -4.436 0.000) 4.436 9.298 ( 0.000 -0.757 0.000) 0.757 9.500 ( 0.000 0.663 0.000) 0.663 9.550 ( 0.000 -5.705 0.000) 5.705 9.599 ( 0.000 5.523 0.000) 5.523 9.605 ( 0.000 -0.058 0.000) 0.058 9.741 ( 0.000 5.185 0.000) 5.185 9.830 ( 0.000 13.876 0.000) 13.876 9.905 ( 0.000 4.390 0.000) 4.390 9.953 ( 0.000 9.378 0.000) 9.378 10.260 ( 0.000 1.933 0.000) 1.933 10.261 ( 0.000 11.931 0.000) 11.931 10.419 ( 0.000 -0.094 0.000) 0.094 10.563 ( 0.000 -4.159 0.000) 4.159 10.829 ( 0.000 2.192 0.000) 2.192 11.033 ( 0.000 0.378 0.000) 0.378 11.115 ( 0.000 0.758 0.000) 0.758 11.148 ( 0.000 -3.585 0.000) 3.585 11.287 ( 0.000 -0.892 0.000) 0.892 11.374 ( 0.000 0.305 0.000) 0.305 11.457 ( 0.000 -5.352 0.000) 5.352 11.655 ( 0.000 -3.484 0.000) 3.484 11.755 ( 0.000 -9.113 0.000) 9.113 11.801 ( 0.000 -2.951 0.000) 2.951 11.957 ( 0.000 -2.615 0.000) 2.615 12.034 ( 0.000 -0.046 0.000) 0.046 12.060 ( 0.000 -10.320 0.000) 10.320 12.225 ( 0.000 -7.678 0.000) 7.678 12.304 ( 0.000 1.409 0.000) 1.409 12.464 ( 0.000 -5.443 0.000) 5.443 12.686 ( 0.000 -6.870 0.000) 6.870 12.834 ( 0.000 -13.239 0.000) 13.239 12.908 ( 0.000 -0.634 0.000) 0.634 12.946 ( 0.000 -10.704 0.000) 10.704 13.210 ( 0.000 0.653 0.000) 0.653 13.328 ( 0.000 8.064 0.000) 8.064 13.377 ( 0.000 10.964 0.000) 10.964 13.486 ( 0.000 6.328 0.000) 6.328 13.550 ( 0.000 3.958 0.000) 3.958 13.710 ( 0.000 12.577 0.000) 12.577 13.766 ( 0.000 4.000 0.000) 4.000 13.805 ( 0.000 3.990 0.000) 3.990 13.924 ( 0.000 0.957 0.000) 0.957 13.995 ( 0.000 4.404 0.000) 4.404 14.022 ( 0.000 -0.665 0.000) 0.665 14.083 ( 0.000 2.271 0.000) 2.271 15.137 ( 0.000 1.656 0.000) 1.656 15.163 ( 0.000 -0.985 0.000) 0.985 15.233 ( 0.000 -0.236 0.000) 0.236 15.264 ( 0.000 0.957 0.000) 0.957 15.583 ( 0.000 1.452 0.000) 1.452 15.659 ( 0.000 0.905 0.000) 0.905 15.843 ( 0.000 -3.914 0.000) 3.914 15.851 ( 0.000 -4.801 0.000) 4.801 15.855 ( 0.000 -0.470 0.000) 0.470 16.340 ( 0.000 -6.129 0.000) 6.129 16.795 ( 0.000 -6.141 0.000) 6.141 17.950 ( 0.000 -32.450 0.000) 32.450 18.295 ( 0.000 1.896 0.000) 1.896 18.371 ( 0.000 2.359 0.000) 2.359 18.424 ( 0.000 2.875 0.000) 2.875 18.434 ( 0.000 3.091 0.000) 3.091 18.582 ( 0.000 3.000 0.000) 3.000 18.701 ( 0.000 -1.528 0.000) 1.528 18.716 ( 0.000 -5.466 0.000) 5.466 18.783 ( 0.000 2.103 0.000) 2.103 19.033 ( 0.000 2.163 0.000) 2.163 19.099 ( 0.000 0.955 0.000) 0.955 19.313 ( 0.000 -2.782 0.000) 2.782 19.333 ( 0.000 -3.681 0.000) 3.681 21.223 ( 0.000 19.378 0.000) 19.378 21.333 ( 0.000 -1.395 0.000) 1.395 21.672 ( 0.000 1.545 0.000) 1.545 22.089 ( 0.000 -4.857 0.000) 4.857 23.307 ( 0.000 0.744 0.000) 0.744 23.415 ( 0.000 0.716 0.000) 0.716 23.529 ( 0.000 -0.933 0.000) 0.933 23.586 ( 0.000 -1.589 0.000) 1.589 23.629 ( 0.000 -1.881 0.000) 1.881 23.678 ( 0.000 0.031 0.000) 0.031 23.820 ( 0.000 -0.339 0.000) 0.339 24.008 ( 0.000 -1.855 0.000) 1.855 ======================= Grid point 8 (6/70) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 16.524 23.622 9.445) 30.336 1.072 ( 20.892 23.424 15.171) 34.861 1.701 ( 25.385 41.726 21.227) 53.255 1.935 ( 1.898 4.105 -16.012) 16.638 2.050 ( 3.775 12.757 -16.384) 21.105 2.221 ( -1.609 3.169 6.375) 7.299 2.425 ( -2.448 4.346 2.366) 5.521 2.457 ( -10.498 4.995 2.448) 11.881 2.501 ( -0.929 4.335 -1.118) 4.572 2.599 ( -3.015 -0.758 3.495) 4.677 2.710 ( -1.581 2.735 6.342) 7.085 2.840 ( -0.888 3.736 -0.042) 3.840 2.926 ( -4.552 2.484 1.956) 5.543 3.019 ( -1.125 3.744 -0.369) 3.926 3.080 ( -0.682 -2.522 -0.849) 2.748 3.148 ( 5.420 -1.372 -0.069) 5.591 3.268 ( -2.063 -2.180 -2.855) 4.142 3.372 ( -3.742 0.059 -0.736) 3.814 3.417 ( 3.947 -1.109 -1.836) 4.492 3.468 ( 5.371 -2.510 -5.587) 8.147 3.572 ( 1.484 -3.915 -3.638) 5.547 3.623 ( -1.812 -7.286 -1.398) 7.637 3.678 ( 3.845 -5.732 -2.915) 7.493 3.819 ( -5.290 -2.953 5.729) 8.338 3.884 ( -0.694 0.091 -2.634) 2.726 3.896 ( -2.309 -4.428 -0.563) 5.025 4.022 ( 6.735 -0.829 -9.020) 11.288 4.058 ( -2.504 1.351 1.844) 3.390 4.217 ( -0.444 -0.774 -5.476) 5.548 4.278 ( 1.986 -5.839 -9.000) 10.910 4.395 ( -5.119 -7.243 1.839) 9.058 4.465 ( 0.613 -4.819 -1.205) 5.005 4.583 ( 1.983 0.492 3.521) 4.071 4.703 ( 0.352 0.356 -0.621) 0.797 4.731 ( -2.584 -7.768 -0.677) 8.215 4.868 ( 1.104 -6.071 8.299) 10.341 4.912 ( -3.629 -4.391 3.651) 6.766 4.973 ( -1.029 -2.869 2.345) 3.846 5.050 ( 7.526 -5.801 4.059) 10.333 5.095 ( 3.618 -2.509 -3.378) 5.549 5.132 ( 2.344 -8.253 4.491) 9.683 5.295 ( 3.727 -9.235 -3.376) 10.516 5.318 ( -1.651 -2.698 -1.700) 3.591 5.408 ( -3.251 -2.455 -0.078) 4.075 5.428 ( 2.818 -2.980 1.363) 4.321 5.549 ( -1.061 -1.783 1.570) 2.602 5.568 ( -8.034 -7.053 -0.577) 10.706 5.649 ( -3.866 0.619 -4.512) 5.974 5.667 ( -6.211 5.491 0.766) 8.326 5.715 ( 1.883 -7.805 -0.892) 8.078 5.763 ( -0.755 2.098 1.004) 2.445 5.908 ( -2.930 -1.277 3.693) 4.884 5.930 ( -0.427 0.727 -0.916) 1.245 5.963 ( -0.862 5.501 -3.659) 6.663 6.037 ( -0.190 4.776 1.243) 4.938 6.176 ( 1.780 -6.034 -2.704) 6.847 6.212 ( -2.337 6.209 2.749) 7.181 6.320 ( 3.224 -4.049 -4.058) 6.577 6.438 ( -3.960 2.469 -1.288) 4.841 6.480 ( 0.029 -1.186 2.271) 2.562 6.506 ( 4.068 -1.964 -6.941) 8.282 6.604 ( -2.998 4.678 -1.970) 5.895 6.671 ( -0.597 -2.967 0.767) 3.122 6.702 ( -4.617 11.299 -4.733) 13.091 6.873 ( 0.263 3.754 5.729) 6.854 6.913 ( 3.273 -4.106 -1.349) 5.421 6.995 ( 1.661 2.641 2.006) 3.709 7.039 ( 0.741 -1.929 3.051) 3.684 7.100 ( -2.185 -3.788 0.656) 4.422 7.227 ( -5.594 2.203 3.779) 7.101 7.291 ( -2.604 -5.884 3.239) 7.203 7.345 ( -3.208 0.808 3.638) 4.917 7.384 ( 3.997 -0.129 -11.703) 12.367 7.491 ( -4.814 -2.409 7.245) 9.026 7.538 ( -0.197 1.295 -0.071) 1.312 7.553 ( -2.205 -2.938 0.376) 3.692 7.699 ( -6.233 -1.872 -1.900) 6.780 7.757 ( -3.889 -3.358 -1.474) 5.345 7.803 ( 7.691 -1.815 0.154) 7.903 7.826 ( 7.208 3.634 -0.624) 8.096 7.946 ( 1.920 -2.510 0.007) 3.160 8.009 ( 2.392 -6.584 -3.131) 7.673 8.044 ( -0.414 5.853 -7.387) 9.434 8.221 ( 2.074 -2.501 4.052) 5.194 8.316 ( 6.596 2.063 -5.156) 8.623 8.374 ( 0.425 -0.083 -1.978) 2.024 8.398 ( 2.817 5.685 0.897) 6.408 8.521 ( 9.351 0.692 -0.982) 9.428 8.625 ( -0.188 1.804 -6.164) 6.425 8.762 ( 5.081 6.399 -1.743) 8.354 8.805 ( 0.757 6.930 5.376) 8.803 8.850 ( 0.256 4.041 -0.837) 4.135 8.879 ( 4.239 0.380 -3.383) 5.436 8.954 ( 3.179 2.874 -2.247) 4.839 9.057 ( 0.775 5.740 2.630) 6.361 9.117 ( 2.931 2.934 2.338) 4.761 9.162 ( 0.731 -1.826 1.366) 2.395 9.204 ( 1.674 2.326 -4.000) 4.921 9.242 ( -0.229 -0.684 1.339) 1.521 9.384 ( 3.554 2.776 7.668) 8.896 9.470 ( -0.501 -0.026 -0.210) 0.544 9.610 ( 4.940 4.250 -1.364) 6.658 9.659 ( 6.757 1.498 -0.087) 6.922 9.690 ( 2.910 1.846 3.362) 4.815 9.749 ( -1.849 4.056 -2.435) 5.080 9.865 ( 1.708 10.532 3.360) 11.186 9.918 ( -0.015 8.313 1.572) 8.460 10.088 ( 4.745 -3.960 7.591) 9.789 10.161 ( -4.969 2.043 -3.623) 6.480 10.270 ( 0.334 11.110 -0.303) 11.119 10.436 ( -4.944 -0.739 -3.273) 5.975 10.489 ( 0.862 -0.804 -0.109) 1.184 10.804 ( -5.403 1.200 2.304) 5.996 10.998 ( -8.682 -0.590 3.945) 9.554 11.025 ( -7.693 2.361 -3.708) 8.861 11.157 ( 0.395 0.022 4.058) 4.077 11.297 ( 0.116 -1.026 0.022) 1.032 11.366 ( 1.857 -5.671 -1.718) 6.210 11.426 ( -2.336 3.245 -1.659) 4.329 11.629 ( -12.684 -2.623 1.581) 13.048 11.655 ( 1.184 -3.639 -0.699) 3.890 11.805 ( -1.309 -2.492 -2.388) 3.692 11.875 ( -1.738 -2.483 -3.185) 4.397 12.023 ( -0.885 -2.412 2.068) 3.299 12.137 ( 3.822 -9.537 -0.068) 10.275 12.300 ( 9.702 -3.441 -3.122) 10.757 12.354 ( 4.235 -3.746 2.195) 6.066 12.483 ( 2.738 -4.415 -2.658) 5.836 12.618 ( -6.800 -9.893 1.578) 12.108 12.757 ( -5.585 -2.273 0.462) 6.048 12.924 ( 1.501 -9.110 -1.956) 9.438 12.963 ( 0.307 -9.391 -0.725) 9.424 13.208 ( 1.299 0.381 -1.443) 1.979 13.316 ( -6.861 16.260 -0.811) 17.666 13.373 ( 0.282 6.436 1.019) 6.523 13.415 ( 4.676 11.931 1.063) 12.859 13.547 ( -2.288 4.772 2.359) 5.794 13.649 ( 2.072 13.843 -7.073) 15.683 13.726 ( 0.753 8.731 -3.443) 9.415 13.767 ( 0.672 6.010 -0.120) 6.048 13.854 ( -4.012 3.837 0.804) 5.609 13.949 ( -0.628 2.935 -0.955) 3.150 14.025 ( -0.724 -0.018 1.061) 1.285 14.078 ( -1.484 2.569 -0.040) 2.967 15.177 ( 4.032 1.405 0.302) 4.281 15.235 ( 4.593 -1.716 -1.202) 5.048 15.279 ( 4.955 -1.546 0.642) 5.230 15.414 ( 11.296 -6.146 -5.216) 13.877 15.591 ( 1.594 0.458 0.014) 1.659 15.669 ( 5.657 1.572 -6.349) 8.647 15.812 ( -1.270 -3.833 -1.871) 4.451 15.872 ( 0.079 -0.964 0.805) 1.259 15.917 ( 5.235 -1.223 1.558) 5.598 16.145 ( 1.182 2.483 -13.725) 13.998 16.943 ( -21.918 -28.392 33.737) 49.241 17.700 ( -31.596 -21.506 0.481) 38.224 18.211 ( -0.961 1.199 -2.288) 2.756 18.282 ( 0.522 -0.011 2.234) 2.294 18.432 ( -0.442 3.219 1.253) 3.482 18.557 ( 5.280 0.085 -0.625) 5.317 18.617 ( 0.969 0.153 1.337) 1.659 18.714 ( 1.259 -1.420 0.804) 2.061 18.788 ( 1.234 0.119 0.933) 1.551 18.802 ( 3.038 -1.511 -1.519) 3.718 19.037 ( -0.085 0.708 0.861) 1.118 19.095 ( -0.011 1.485 -1.133) 1.868 19.268 ( -2.003 -2.153 -0.708) 3.024 19.342 ( -1.370 -2.713 -0.003) 3.039 21.278 ( 6.053 12.408 1.954) 13.943 21.403 ( 3.040 0.491 4.821) 5.721 21.625 ( 0.407 0.092 -5.898) 5.913 22.019 ( 2.718 3.936 -11.932) 12.855 23.311 ( -0.606 1.185 1.238) 1.818 23.365 ( -1.808 0.148 -0.918) 2.033 23.508 ( -1.510 -0.811 -0.289) 1.738 23.562 ( -2.055 -2.091 0.098) 2.934 23.672 ( 3.161 -0.347 0.355) 3.200 23.724 ( 4.419 -0.760 -0.960) 4.585 23.888 ( -1.944 -3.441 7.063) 8.094 23.998 ( -0.944 -1.714 -0.330) 1.984 ======================= Grid point 9 (7/70) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 20.330 11.957 13.305) 27.079 1.566 ( 16.973 19.375 14.795) 29.705 1.819 ( 12.051 4.141 -15.256) 19.878 1.999 ( 9.982 11.158 -13.584) 20.215 2.193 ( -10.163 5.204 -1.141) 11.474 2.252 ( -11.029 5.767 1.985) 12.603 2.298 ( -5.456 7.773 4.688) 10.591 2.368 ( -7.335 8.623 -0.102) 11.321 2.527 ( 1.905 6.383 2.034) 6.965 2.587 ( 10.372 4.287 9.406) 14.643 2.713 ( 4.540 4.434 4.008) 7.506 2.809 ( -5.971 -2.173 -1.536) 6.537 2.887 ( 1.431 2.621 1.765) 3.469 3.039 ( -3.548 -0.160 -0.196) 3.557 3.077 ( 5.246 -7.113 1.185) 8.917 3.133 ( -7.587 3.877 3.480) 9.204 3.305 ( 5.240 0.691 -4.076) 6.674 3.327 ( 2.883 -3.915 -1.149) 4.996 3.433 ( -0.884 0.423 -2.244) 2.448 3.477 ( -1.663 -7.697 -0.299) 7.881 3.563 ( 2.762 -4.956 -1.082) 5.776 3.652 ( 1.576 -6.652 1.576) 7.016 3.725 ( 3.118 -1.235 -3.489) 4.839 3.732 ( 0.120 -5.124 -2.506) 5.706 3.782 ( 1.178 0.974 -3.730) 4.031 3.859 ( -2.551 -2.544 0.457) 3.632 4.038 ( -0.205 -3.144 -0.825) 3.257 4.105 ( 1.858 1.908 -3.078) 4.070 4.185 ( 6.947 -1.998 -1.160) 7.321 4.307 ( 3.571 -1.941 -2.186) 4.615 4.331 ( -4.000 -7.875 -1.567) 8.971 4.405 ( -7.339 6.338 -1.765) 9.856 4.563 ( -1.126 -7.919 -2.331) 8.331 4.612 ( -0.176 4.086 0.660) 4.143 4.765 ( -0.972 -11.768 -1.908) 11.961 4.845 ( -8.841 -1.926 5.037) 10.355 4.911 ( -2.502 -7.656 -2.110) 8.326 5.000 ( 0.985 -3.819 6.851) 7.905 5.058 ( -6.424 -2.964 1.999) 7.352 5.136 ( -1.148 -9.641 -2.184) 9.952 5.201 ( 4.421 -1.228 -2.346) 5.153 5.281 ( -0.538 -2.132 0.615) 2.283 5.346 ( -1.504 -4.385 1.415) 4.847 5.369 ( -3.181 0.782 2.000) 3.838 5.419 ( -0.422 -5.219 -0.249) 5.242 5.509 ( 3.459 0.172 6.171) 7.076 5.570 ( -0.528 0.639 -2.998) 3.110 5.592 ( 3.544 -1.852 -3.867) 5.562 5.662 ( -1.745 -1.852 5.521) 6.079 5.724 ( -3.420 3.012 -4.005) 6.067 5.759 ( -0.270 -3.802 4.396) 5.818 5.838 ( -4.708 1.549 1.513) 5.182 5.897 ( 0.192 3.744 2.616) 4.571 5.965 ( 0.795 -0.257 1.204) 1.465 6.046 ( -1.327 3.926 -7.820) 8.850 6.096 ( 0.465 2.160 1.801) 2.851 6.191 ( -6.184 4.021 -9.949) 12.385 6.300 ( 3.608 -0.838 -2.483) 4.459 6.431 ( 8.529 -8.147 1.225) 11.859 6.449 ( -2.696 -3.428 -3.375) 5.514 6.536 ( 4.460 -0.158 -3.070) 5.417 6.605 ( 1.986 1.001 -1.072) 2.469 6.652 ( -0.238 3.553 6.081) 7.047 6.718 ( 0.514 -5.486 3.808) 6.698 6.854 ( -7.729 -4.176 -2.947) 9.267 6.952 ( 2.593 -0.705 2.742) 3.839 6.982 ( -8.608 -4.976 2.728) 10.310 7.005 ( -0.106 -2.184 3.801) 4.385 7.079 ( 2.130 0.524 -0.142) 2.198 7.228 ( 2.297 2.213 1.741) 3.634 7.266 ( -2.048 1.831 -1.988) 3.391 7.332 ( -5.985 -2.266 -0.873) 6.459 7.366 ( -3.603 9.660 5.475) 11.674 7.510 ( -0.787 1.563 -3.167) 3.619 7.520 ( -4.196 3.437 0.387) 5.438 7.539 ( 1.103 5.527 9.002) 10.620 7.653 ( -5.628 -2.291 2.303) 6.498 7.682 ( 1.368 -0.731 -1.836) 2.403 7.786 ( 3.271 -0.600 -1.784) 3.774 7.942 ( 2.217 -1.346 -3.194) 4.114 7.957 ( 1.779 -4.310 -0.437) 4.683 8.000 ( 5.266 -4.667 -6.409) 9.518 8.123 ( 6.111 -0.845 -2.632) 6.707 8.186 ( -6.211 2.909 0.766) 6.901 8.380 ( 5.670 0.406 1.660) 5.922 8.406 ( -0.645 6.497 -5.666) 8.645 8.476 ( 6.492 -3.182 3.728) 8.134 8.600 ( 2.912 3.405 1.677) 4.784 8.685 ( 4.881 -3.576 -1.800) 6.313 8.763 ( 2.345 -7.398 -5.212) 9.349 8.811 ( -0.378 0.627 -1.232) 1.433 8.906 ( 5.681 -3.355 -3.985) 7.708 8.954 ( 3.504 6.896 3.896) 8.661 9.020 ( 3.065 -4.324 0.390) 5.315 9.088 ( 0.284 -0.296 2.130) 2.169 9.151 ( 3.657 9.500 -2.383) 10.455 9.194 ( 0.230 0.700 0.903) 1.166 9.258 ( 5.439 -2.239 3.783) 6.993 9.323 ( 5.362 5.390 2.907) 8.140 9.460 ( -1.421 5.758 5.715) 8.236 9.534 ( 3.732 5.340 1.520) 6.689 9.658 ( 1.002 4.475 -5.121) 6.874 9.670 ( 4.614 4.611 -1.220) 6.636 9.750 ( 0.959 4.392 -1.526) 4.747 9.810 ( 4.186 3.912 0.539) 5.755 9.846 ( -3.343 2.667 2.404) 4.906 9.938 ( 2.522 3.732 -0.031) 4.504 10.070 ( -5.783 -1.848 -2.198) 6.456 10.094 ( -2.674 2.703 -3.179) 4.957 10.291 ( 0.567 6.757 -0.338) 6.789 10.336 ( 0.254 11.104 2.314) 11.346 10.556 ( -5.556 -1.566 6.988) 9.063 10.625 ( -5.774 3.774 -4.454) 8.211 10.766 ( -9.292 2.407 -1.547) 9.722 11.082 ( 1.925 2.379 3.631) 4.749 11.159 ( 0.188 -2.347 -3.208) 3.979 11.263 ( -9.694 -0.073 -1.850) 9.870 11.305 ( -1.685 7.044 -0.840) 7.291 11.361 ( -4.970 -0.621 5.931) 7.763 11.490 ( -0.757 -1.832 -4.601) 5.010 11.658 ( -0.053 -2.832 -1.460) 3.186 11.752 ( -3.776 -3.226 2.970) 5.787 11.847 ( 1.777 -4.506 -2.864) 5.627 12.040 ( 0.087 -0.376 2.044) 2.080 12.197 ( 3.410 -5.433 0.826) 6.468 12.429 ( 6.769 -4.123 -2.479) 8.305 12.442 ( 1.836 -9.980 0.318) 10.153 12.500 ( 1.126 -1.172 1.888) 2.491 12.574 ( 2.352 -10.493 -0.554) 10.768 12.683 ( -3.592 -3.766 0.513) 5.229 12.887 ( -2.917 -11.846 -2.057) 12.372 12.911 ( -3.328 -7.191 -3.172) 8.535 13.251 ( 4.656 2.579 0.933) 5.404 13.312 ( 3.017 6.366 0.950) 7.108 13.419 ( 0.686 3.099 4.406) 5.430 13.527 ( -0.438 8.791 4.554) 9.910 13.539 ( 1.332 6.698 2.759) 7.366 13.632 ( 1.463 14.510 -4.002) 15.123 13.694 ( 1.470 6.725 -3.857) 7.890 13.778 ( -1.842 5.465 -3.556) 6.775 13.796 ( -0.055 7.278 1.391) 7.410 13.915 ( -0.983 3.184 -2.307) 4.053 14.022 ( -1.168 1.124 0.155) 1.628 14.040 ( -1.656 1.609 -0.185) 2.316 15.264 ( 5.194 -0.261 0.450) 5.220 15.322 ( 6.281 -2.965 -0.430) 6.959 15.376 ( 3.412 -3.211 1.987) 5.089 15.458 ( 0.774 -3.173 -2.690) 4.231 15.627 ( 3.319 -1.358 -3.958) 5.341 15.675 ( 3.639 0.090 -6.366) 7.333 15.774 ( -0.922 -0.626 -2.498) 2.736 15.877 ( -0.195 0.899 0.929) 1.307 16.041 ( 8.779 1.100 3.561) 9.538 16.184 ( 10.967 -5.808 0.039) 12.410 16.805 ( -21.313 -21.728 9.611) 31.918 17.107 ( -33.557 -8.746 -0.580) 34.683 18.148 ( -2.786 2.382 -0.454) 3.694 18.370 ( 3.999 -1.042 1.974) 4.580 18.430 ( -0.940 2.543 0.559) 2.768 18.601 ( 0.943 -3.039 0.021) 3.182 18.670 ( 2.205 0.449 1.134) 2.520 18.745 ( 1.438 0.210 0.753) 1.637 18.803 ( -0.417 1.865 1.303) 2.313 18.807 ( 1.440 -1.628 -3.270) 3.926 19.045 ( -0.251 -1.253 0.704) 1.459 19.073 ( -1.057 0.292 -0.710) 1.306 19.242 ( -0.298 -0.546 -0.287) 0.686 19.304 ( -2.572 -0.503 0.280) 2.636 21.419 ( 4.263 1.641 3.922) 6.020 21.511 ( 1.656 1.582 4.676) 5.206 21.581 ( 3.558 -0.291 -5.897) 6.893 21.937 ( 0.763 3.604 -7.248) 8.131 23.301 ( -2.818 -1.318 -1.405) 3.413 23.324 ( -0.328 1.625 1.136) 2.010 23.491 ( -0.200 -1.250 0.074) 1.268 23.530 ( -1.720 -2.838 -0.049) 3.319 23.764 ( 5.318 0.047 1.345) 5.485 23.781 ( 4.032 -0.015 -1.364) 4.257 23.888 ( -4.077 -1.436 3.198) 5.377 23.967 ( -1.785 -1.193 -0.953) 2.349 ======================= Grid point 10 (8/70) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 0.000 11.458 0.000) 11.458 1.877 ( -0.000 3.465 0.000) 3.465 1.927 ( -0.000 4.368 0.000) 4.368 1.992 ( -0.000 7.030 0.000) 7.030 2.008 ( -0.000 4.552 -0.000) 4.552 2.044 ( 0.000 8.765 0.000) 8.765 2.180 ( -0.000 11.534 0.000) 11.534 2.197 ( 0.000 15.988 -0.000) 15.988 2.534 ( 0.000 5.638 0.000) 5.638 2.713 ( 0.000 -3.367 -0.000) 3.367 2.748 ( -0.000 -5.396 0.000) 5.396 2.870 ( 0.000 0.191 0.000) 0.191 2.909 ( 0.000 -1.046 0.000) 1.046 3.038 ( 0.000 1.940 0.000) 1.940 3.114 ( 0.000 8.449 0.000) 8.449 3.156 ( -0.000 -8.548 0.000) 8.548 3.269 ( 0.000 -5.108 0.000) 5.108 3.329 ( 0.000 -2.453 0.000) 2.453 3.411 ( 0.000 -7.244 0.000) 7.244 3.566 ( 0.000 2.648 -0.000) 2.648 3.568 ( -0.000 -4.907 0.000) 4.907 3.637 ( 0.000 -4.352 0.000) 4.352 3.710 ( 0.000 -4.056 0.000) 4.056 3.748 ( 0.000 -2.970 0.000) 2.970 3.836 ( 0.000 -0.370 0.000) 0.370 3.856 ( 0.000 3.086 0.000) 3.086 4.046 ( 0.000 -7.759 -0.000) 7.759 4.090 ( 0.000 1.185 0.000) 1.185 4.203 ( -0.000 7.708 0.000) 7.708 4.230 ( 0.000 -0.362 0.000) 0.362 4.266 ( 0.000 -2.835 0.000) 2.835 4.354 ( 0.000 4.822 0.000) 4.822 4.562 ( 0.000 -2.610 -0.000) 2.610 4.649 ( 0.000 -7.088 0.000) 7.088 4.740 ( 0.000 0.334 0.000) 0.334 4.801 ( 0.000 0.631 0.000) 0.631 4.845 ( 0.000 -10.161 0.000) 10.161 4.943 ( 0.000 -11.573 0.000) 11.573 5.084 ( 0.000 -8.239 -0.000) 8.239 5.156 ( 0.000 -8.473 0.000) 8.473 5.225 ( 0.000 4.293 0.000) 4.293 5.280 ( 0.000 -11.189 0.000) 11.189 5.310 ( 0.000 -1.646 0.000) 1.646 5.375 ( 0.000 -1.587 0.000) 1.587 5.415 ( 0.000 -6.017 -0.000) 6.017 5.483 ( 0.000 -2.678 0.000) 2.678 5.579 ( 0.000 2.271 0.000) 2.271 5.588 ( -0.000 2.188 -0.000) 2.188 5.667 ( 0.000 -1.297 0.000) 1.297 5.699 ( 0.000 4.192 -0.000) 4.192 5.810 ( 0.000 -0.344 0.000) 0.344 5.833 ( -0.000 4.692 0.000) 4.692 5.909 ( 0.000 10.504 0.000) 10.504 5.918 ( -0.000 5.671 0.000) 5.671 6.030 ( 0.000 1.412 0.000) 1.412 6.053 ( -0.000 -5.102 -0.000) 5.102 6.199 ( 0.000 0.534 0.000) 0.534 6.293 ( 0.000 3.857 -0.000) 3.857 6.338 ( -0.000 -4.155 0.000) 4.155 6.524 ( 0.000 -10.164 0.000) 10.164 6.616 ( 0.000 -4.839 -0.000) 4.839 6.650 ( -0.000 -3.935 0.000) 3.935 6.679 ( 0.000 -9.635 0.000) 9.635 6.711 ( 0.000 1.118 0.000) 1.118 6.753 ( 0.000 -2.876 -0.000) 2.876 6.937 ( 0.000 0.810 0.000) 0.810 6.986 ( 0.000 -6.771 0.000) 6.771 7.089 ( 0.000 0.564 0.000) 0.564 7.104 ( -0.000 -0.978 0.000) 0.978 7.107 ( -0.000 -3.573 -0.000) 3.573 7.283 ( 0.000 6.872 0.000) 6.872 7.361 ( 0.000 4.324 0.000) 4.324 7.370 ( 0.000 1.087 0.000) 1.087 7.396 ( -0.000 1.518 -0.000) 1.518 7.493 ( 0.000 12.213 0.000) 12.213 7.582 ( 0.000 16.905 -0.000) 16.905 7.626 ( 0.000 -6.092 0.000) 6.092 7.678 ( 0.000 -3.694 -0.000) 3.694 7.891 ( -0.000 2.904 -0.000) 2.904 7.892 ( 0.000 1.093 0.000) 1.093 7.964 ( 0.000 -5.500 0.000) 5.500 8.019 ( 0.000 -0.566 -0.000) 0.566 8.113 ( 0.000 -4.131 0.000) 4.131 8.201 ( 0.000 -0.019 0.000) 0.019 8.285 ( -0.000 2.182 -0.000) 2.182 8.504 ( 0.000 -0.203 -0.000) 0.203 8.522 ( -0.000 -4.054 0.000) 4.054 8.642 ( -0.000 -8.013 -0.000) 8.013 8.681 ( 0.000 -2.615 0.000) 2.615 8.803 ( 0.000 4.227 0.000) 4.227 8.805 ( 0.000 -8.562 0.000) 8.562 8.971 ( -0.000 -3.725 -0.000) 3.725 8.978 ( 0.000 0.384 0.000) 0.384 9.053 ( 0.000 -4.346 -0.000) 4.346 9.104 ( 0.000 0.475 0.000) 0.475 9.128 ( 0.000 5.123 0.000) 5.123 9.233 ( 0.000 11.721 0.000) 11.721 9.345 ( 0.000 -2.854 0.000) 2.854 9.394 ( 0.000 2.968 0.000) 2.968 9.495 ( 0.000 9.698 0.000) 9.698 9.575 ( 0.000 6.199 0.000) 6.199 9.667 ( 0.000 5.876 0.000) 5.876 9.689 ( 0.000 2.907 0.000) 2.907 9.732 ( 0.000 2.667 0.000) 2.667 9.834 ( 0.000 0.810 0.000) 0.810 9.849 ( -0.000 -0.501 -0.000) 0.501 9.963 ( 0.000 1.437 0.000) 1.437 10.005 ( 0.000 4.050 -0.000) 4.050 10.057 ( 0.000 4.692 0.000) 4.692 10.290 ( 0.000 9.476 0.000) 9.476 10.326 ( 0.000 2.385 0.000) 2.385 10.462 ( 0.000 14.282 0.000) 14.282 10.626 ( 0.000 0.042 0.000) 0.042 10.723 ( 0.000 -0.858 0.000) 0.858 11.052 ( -0.000 2.210 0.000) 2.210 11.069 ( 0.000 6.434 -0.000) 6.434 11.258 ( 0.000 5.780 0.000) 5.780 11.272 ( 0.000 -1.019 0.000) 1.019 11.388 ( 0.000 -4.456 -0.000) 4.456 11.420 ( 0.000 0.438 0.000) 0.438 11.642 ( 0.000 -3.667 0.000) 3.667 11.743 ( 0.000 -2.828 0.000) 2.828 11.848 ( 0.000 -5.364 0.000) 5.364 12.055 ( 0.000 -0.082 0.000) 0.082 12.255 ( -0.000 -3.879 -0.000) 3.879 12.421 ( 0.000 -3.732 0.000) 3.732 12.467 ( 0.000 -8.369 -0.000) 8.369 12.529 ( 0.000 -5.560 0.000) 5.560 12.635 ( -0.000 -10.115 0.000) 10.115 12.672 ( 0.000 -0.351 0.000) 0.351 12.812 ( 0.000 -9.514 0.000) 9.514 12.850 ( 0.000 -12.687 0.000) 12.687 13.324 ( 0.000 4.596 0.000) 4.596 13.345 ( 0.000 2.708 -0.000) 2.708 13.465 ( 0.000 -1.626 0.000) 1.626 13.531 ( 0.000 3.395 0.000) 3.395 13.590 ( 0.000 10.510 0.000) 10.510 13.604 ( 0.000 14.907 0.000) 14.907 13.703 ( 0.000 8.630 -0.000) 8.630 13.719 ( -0.000 4.675 0.000) 4.675 13.807 ( 0.000 9.395 0.000) 9.395 13.887 ( 0.000 5.245 0.000) 5.245 13.994 ( 0.000 0.248 0.000) 0.248 14.036 ( 0.000 1.517 0.000) 1.517 15.330 ( 0.000 -3.123 0.000) 3.123 15.401 ( -0.000 -1.527 -0.000) 1.527 15.413 ( 0.000 -2.311 0.000) 2.311 15.424 ( 0.000 -5.192 0.000) 5.192 15.607 ( 0.000 -1.437 0.000) 1.437 15.679 ( 0.000 1.185 0.000) 1.185 15.739 ( 0.000 -1.257 0.000) 1.257 15.882 ( 0.000 1.519 0.000) 1.519 16.257 ( -0.000 -12.108 0.000) 12.108 16.371 ( 0.000 -3.503 0.000) 3.503 16.531 ( 0.000 0.471 0.000) 0.471 16.750 ( 0.000 -12.903 0.000) 12.903 18.122 ( 0.000 2.248 0.000) 2.248 18.421 ( 0.000 0.432 0.000) 0.432 18.425 ( 0.000 3.656 0.000) 3.656 18.608 ( 0.000 -3.226 0.000) 3.226 18.690 ( 0.000 -0.156 0.000) 0.156 18.772 ( 0.000 2.289 0.000) 2.289 18.794 ( 0.000 -1.823 0.000) 1.823 18.809 ( 0.000 0.207 0.000) 0.207 19.047 ( 0.000 2.731 0.000) 2.731 19.054 ( 0.000 -6.062 0.000) 6.062 19.245 ( 0.000 0.625 -0.000) 0.625 19.278 ( 0.000 0.342 0.000) 0.342 21.478 ( 0.000 -2.879 -0.000) 2.879 21.530 ( 0.000 -2.056 0.000) 2.056 21.612 ( 0.000 4.937 0.000) 4.937 21.895 ( 0.000 1.131 0.000) 1.131 23.259 ( 0.000 -1.626 0.000) 1.626 23.334 ( 0.000 2.032 0.000) 2.032 23.492 ( 0.000 -1.536 0.000) 1.536 23.512 ( 0.000 -3.088 0.000) 3.088 23.812 ( 0.000 0.048 0.000) 0.048 23.838 ( 0.000 -0.728 0.000) 0.728 23.864 ( 0.000 -0.013 0.000) 0.013 23.929 ( 0.000 -0.724 0.000) 0.724 ======================= Grid point 14 (9/70) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 0.000 28.708 0.000) 28.708 1.355 ( 0.000 30.549 0.000) 30.549 2.066 ( 0.000 5.689 0.000) 5.689 2.366 ( 0.000 8.058 0.000) 8.058 2.373 ( 0.000 10.795 0.000) 10.795 2.427 ( 0.000 17.640 0.000) 17.640 2.523 ( 0.000 3.680 0.000) 3.680 2.566 ( 0.000 15.075 0.000) 15.075 2.630 ( 0.000 13.317 0.000) 13.317 2.679 ( 0.000 7.843 0.000) 7.843 2.814 ( 0.000 6.019 0.000) 6.019 2.939 ( 0.000 3.869 0.000) 3.869 2.941 ( 0.000 0.555 0.000) 0.555 3.036 ( 0.000 -2.735 0.000) 2.735 3.061 ( 0.000 -3.758 0.000) 3.758 3.108 ( 0.000 -7.353 0.000) 7.353 3.141 ( 0.000 -0.102 0.000) 0.102 3.303 ( 0.000 -5.304 0.000) 5.304 3.405 ( 0.000 1.001 0.000) 1.001 3.442 ( 0.000 -6.195 0.000) 6.195 3.507 ( 0.000 -0.928 0.000) 0.928 3.640 ( 0.000 -3.044 0.000) 3.044 3.675 ( 0.000 1.599 0.000) 1.599 3.687 ( 0.000 -3.123 0.000) 3.123 3.728 ( 0.000 -1.636 0.000) 1.636 3.887 ( 0.000 -3.413 0.000) 3.413 3.969 ( 0.000 -8.183 0.000) 8.183 4.083 ( 0.000 -8.876 0.000) 8.876 4.166 ( 0.000 -0.996 0.000) 0.996 4.247 ( 0.000 -4.021 0.000) 4.021 4.324 ( 0.000 -6.617 0.000) 6.617 4.438 ( 0.000 -11.925 0.000) 11.925 4.494 ( 0.000 -0.717 0.000) 0.717 4.576 ( 0.000 -11.751 0.000) 11.751 4.600 ( 0.000 -0.075 0.000) 0.075 4.670 ( 0.000 2.655 0.000) 2.655 4.777 ( 0.000 -5.285 0.000) 5.285 4.806 ( 0.000 -5.776 0.000) 5.776 4.901 ( 0.000 -14.585 0.000) 14.585 4.915 ( 0.000 4.689 0.000) 4.689 5.068 ( 0.000 -1.098 0.000) 1.098 5.133 ( 0.000 -7.217 0.000) 7.217 5.255 ( 0.000 -9.774 0.000) 9.774 5.281 ( 0.000 -4.602 0.000) 4.602 5.381 ( 0.000 4.338 0.000) 4.338 5.490 ( 0.000 -4.039 0.000) 4.039 5.547 ( 0.000 -3.410 0.000) 3.410 5.606 ( 0.000 -3.862 0.000) 3.862 5.641 ( 0.000 -3.920 0.000) 3.920 5.718 ( 0.000 -5.668 0.000) 5.668 5.782 ( 0.000 -6.027 0.000) 6.027 5.854 ( 0.000 -1.111 0.000) 1.111 5.859 ( 0.000 -6.854 0.000) 6.854 6.029 ( 0.000 3.577 0.000) 3.577 6.117 ( 0.000 4.477 0.000) 4.477 6.213 ( 0.000 2.078 0.000) 2.078 6.221 ( 0.000 -3.511 0.000) 3.511 6.282 ( 0.000 -6.691 0.000) 6.691 6.343 ( 0.000 -4.315 0.000) 4.315 6.414 ( 0.000 -5.826 0.000) 5.826 6.580 ( 0.000 0.305 0.000) 0.305 6.601 ( 0.000 0.219 0.000) 0.219 6.772 ( 0.000 3.186 0.000) 3.186 6.787 ( 0.000 -1.478 0.000) 1.478 6.856 ( 0.000 -3.448 0.000) 3.448 6.950 ( 0.000 -0.727 0.000) 0.727 6.998 ( 0.000 0.611 0.000) 0.611 6.999 ( 0.000 -5.260 0.000) 5.260 7.052 ( 0.000 6.240 0.000) 6.240 7.132 ( 0.000 -7.727 0.000) 7.727 7.310 ( 0.000 6.269 0.000) 6.269 7.332 ( 0.000 -5.632 0.000) 5.632 7.345 ( 0.000 -0.853 0.000) 0.853 7.410 ( 0.000 -1.646 0.000) 1.646 7.557 ( 0.000 -1.343 0.000) 1.343 7.569 ( 0.000 -0.717 0.000) 0.717 7.660 ( 0.000 7.927 0.000) 7.927 7.716 ( 0.000 2.051 0.000) 2.051 7.733 ( 0.000 -10.035 0.000) 10.035 7.843 ( 0.000 0.130 0.000) 0.130 7.854 ( 0.000 -2.989 0.000) 2.989 8.014 ( 0.000 -3.113 0.000) 3.113 8.141 ( 0.000 16.977 0.000) 16.977 8.237 ( 0.000 -0.224 0.000) 0.224 8.283 ( 0.000 -2.876 0.000) 2.876 8.329 ( 0.000 2.560 0.000) 2.560 8.487 ( 0.000 5.550 0.000) 5.550 8.593 ( 0.000 0.231 0.000) 0.231 8.595 ( 0.000 -9.336 0.000) 9.336 8.724 ( 0.000 -10.495 0.000) 10.495 8.875 ( 0.000 5.098 0.000) 5.098 8.971 ( 0.000 3.895 0.000) 3.895 8.974 ( 0.000 6.269 0.000) 6.269 9.109 ( 0.000 1.978 0.000) 1.978 9.165 ( 0.000 9.278 0.000) 9.278 9.196 ( 0.000 9.581 0.000) 9.581 9.221 ( 0.000 -0.924 0.000) 0.924 9.272 ( 0.000 6.961 0.000) 6.961 9.306 ( 0.000 9.607 0.000) 9.607 9.338 ( 0.000 0.965 0.000) 0.965 9.430 ( 0.000 -1.166 0.000) 1.166 9.646 ( 0.000 11.183 0.000) 11.183 9.679 ( 0.000 7.280 0.000) 7.280 9.790 ( 0.000 14.926 0.000) 14.926 9.849 ( 0.000 5.119 0.000) 5.119 10.016 ( 0.000 5.442 0.000) 5.442 10.171 ( 0.000 17.311 0.000) 17.311 10.215 ( 0.000 11.760 0.000) 11.760 10.240 ( 0.000 -2.976 0.000) 2.976 10.364 ( 0.000 3.890 0.000) 3.890 10.450 ( 0.000 1.135 0.000) 1.135 10.627 ( 0.000 7.706 0.000) 7.706 10.887 ( 0.000 3.250 0.000) 3.250 11.043 ( 0.000 -0.497 0.000) 0.497 11.096 ( 0.000 -2.287 0.000) 2.287 11.117 ( 0.000 -0.525 0.000) 0.525 11.202 ( 0.000 -6.205 0.000) 6.205 11.315 ( 0.000 -1.741 0.000) 1.741 11.352 ( 0.000 -4.261 0.000) 4.261 11.584 ( 0.000 -4.380 0.000) 4.380 11.703 ( 0.000 5.186 0.000) 5.186 11.708 ( 0.000 -6.976 0.000) 6.976 11.808 ( 0.000 -10.247 0.000) 10.247 11.911 ( 0.000 -5.320 0.000) 5.320 11.983 ( 0.000 -4.181 0.000) 4.181 12.020 ( 0.000 -10.513 0.000) 10.513 12.321 ( 0.000 0.081 0.000) 0.081 12.330 ( 0.000 -6.781 0.000) 6.781 12.567 ( 0.000 -5.347 0.000) 5.347 12.592 ( 0.000 -10.410 0.000) 10.410 12.719 ( 0.000 -11.373 0.000) 11.373 12.882 ( 0.000 -2.731 0.000) 2.731 13.241 ( 0.000 2.443 0.000) 2.443 13.446 ( 0.000 4.242 0.000) 4.242 13.527 ( 0.000 4.397 0.000) 4.397 13.629 ( 0.000 5.537 0.000) 5.537 13.679 ( 0.000 7.767 0.000) 7.767 13.861 ( 0.000 4.898 0.000) 4.898 13.893 ( 0.000 5.933 0.000) 5.933 13.956 ( 0.000 8.455 0.000) 8.455 13.958 ( 0.000 2.405 0.000) 2.405 14.000 ( 0.000 -1.305 0.000) 1.305 14.104 ( 0.000 5.813 0.000) 5.813 14.139 ( 0.000 3.444 0.000) 3.444 15.140 ( 0.000 -1.100 0.000) 1.100 15.183 ( 0.000 2.630 0.000) 2.630 15.229 ( 0.000 -0.024 0.000) 0.024 15.270 ( 0.000 -0.454 0.000) 0.454 15.642 ( 0.000 3.904 0.000) 3.904 15.676 ( 0.000 0.974 0.000) 0.974 15.739 ( 0.000 -4.665 0.000) 4.665 15.761 ( 0.000 -4.083 0.000) 4.083 15.848 ( 0.000 -0.035 0.000) 0.035 16.191 ( 0.000 -7.897 0.000) 7.897 16.617 ( 0.000 -11.160 0.000) 11.160 17.207 ( 0.000 -35.889 0.000) 35.889 18.356 ( 0.000 4.158 0.000) 4.158 18.442 ( 0.000 4.654 0.000) 4.654 18.503 ( 0.000 4.689 0.000) 4.689 18.513 ( 0.000 4.350 0.000) 4.350 18.614 ( 0.000 1.196 0.000) 1.196 18.675 ( 0.000 -1.005 0.000) 1.005 18.722 ( 0.000 3.387 0.000) 3.387 18.821 ( 0.000 1.520 0.000) 1.520 19.053 ( 0.000 -1.335 0.000) 1.335 19.116 ( 0.000 -0.067 0.000) 0.067 19.245 ( 0.000 -2.940 0.000) 2.940 19.275 ( 0.000 -1.068 0.000) 1.068 21.301 ( 0.000 -1.441 0.000) 1.441 21.497 ( 0.000 5.522 0.000) 5.522 21.731 ( 0.000 4.423 0.000) 4.423 21.973 ( 0.000 -5.911 0.000) 5.911 23.335 ( 0.000 2.201 0.000) 2.201 23.428 ( 0.000 0.546 0.000) 0.546 23.513 ( 0.000 -0.386 0.000) 0.386 23.548 ( 0.000 -1.822 0.000) 1.822 23.589 ( 0.000 -2.117 0.000) 2.117 23.658 ( 0.000 -2.024 0.000) 2.024 23.803 ( 0.000 -1.501 0.000) 1.501 23.950 ( 0.000 -3.907 0.000) 3.907 ======================= Grid point 15 (10/70) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 10.035 25.665 2.372) 27.659 1.541 ( 15.821 23.409 10.668) 30.201 2.023 ( -0.373 6.585 -9.520) 11.582 2.238 ( -2.857 8.532 -4.302) 9.973 2.388 ( 2.155 8.174 -1.287) 8.550 2.475 ( -1.662 4.288 3.179) 5.591 2.506 ( 0.067 5.796 -0.684) 5.837 2.556 ( -9.007 5.779 -1.232) 10.772 2.616 ( 2.717 14.891 6.116) 16.326 2.718 ( 1.471 20.126 5.089) 20.812 2.808 ( -3.856 4.831 3.700) 7.204 2.922 ( -0.792 -0.872 -0.499) 1.279 2.940 ( -5.071 2.071 2.233) 5.916 3.006 ( -2.986 -0.834 -2.364) 3.899 3.061 ( 2.885 2.284 1.456) 3.957 3.151 ( 0.298 -6.275 4.324) 7.626 3.199 ( -0.866 -2.229 1.768) 2.974 3.276 ( -0.576 -4.135 -1.644) 4.486 3.388 ( 4.847 -3.755 1.385) 6.286 3.426 ( -2.306 -3.268 -4.850) 6.287 3.469 ( -4.481 -1.491 -0.048) 4.723 3.554 ( -1.454 -1.794 -0.934) 2.491 3.629 ( 6.022 2.409 -5.423) 8.454 3.782 ( -2.402 -2.118 3.918) 5.060 3.819 ( -1.351 -1.788 3.116) 3.838 3.891 ( -2.401 -1.714 -1.874) 3.495 3.940 ( 7.016 -6.096 -3.595) 9.966 4.041 ( -5.521 -8.216 -5.647) 11.396 4.058 ( -0.144 -6.094 -0.840) 6.154 4.203 ( 0.036 -3.155 -2.416) 3.974 4.239 ( -1.463 -4.061 -3.505) 5.560 4.409 ( -3.203 -4.509 -1.293) 5.680 4.440 ( 0.552 -9.338 -7.356) 11.900 4.559 ( -2.814 -8.326 0.632) 8.812 4.668 ( -2.460 -10.458 1.576) 10.858 4.758 ( 2.925 0.038 7.024) 7.609 4.814 ( 3.844 -6.344 -0.867) 7.468 4.906 ( -2.540 0.039 3.174) 4.066 4.961 ( 4.541 -7.395 4.556) 9.801 4.988 ( 11.234 -5.384 3.462) 12.930 5.098 ( 4.870 -0.860 -0.045) 4.945 5.191 ( 6.350 0.006 -1.370) 6.496 5.270 ( -0.109 -5.285 -4.189) 6.745 5.328 ( 0.870 -3.728 4.102) 5.611 5.352 ( 1.946 -2.917 -1.003) 3.647 5.410 ( -6.162 -5.275 0.305) 8.117 5.503 ( -3.464 -5.604 -1.646) 6.791 5.549 ( 0.105 -2.819 -2.199) 3.577 5.604 ( -4.526 -2.648 -3.204) 6.145 5.664 ( -2.116 -0.147 -0.022) 2.121 5.796 ( -1.119 -4.351 2.644) 5.213 5.835 ( 4.542 -3.558 -2.631) 6.341 5.936 ( -0.534 -2.627 1.589) 3.116 6.025 ( -4.321 2.432 4.641) 6.792 6.065 ( 5.200 -3.458 -3.696) 7.257 6.128 ( -3.067 1.396 -6.026) 6.904 6.256 ( 1.052 -1.359 2.256) 2.836 6.325 ( -2.663 -7.513 0.319) 7.978 6.349 ( 4.171 0.868 2.138) 4.767 6.426 ( -6.242 -0.645 -2.661) 6.816 6.477 ( -8.713 0.354 1.925) 8.930 6.664 ( 2.181 -2.341 -2.938) 4.344 6.729 ( -6.041 2.083 4.191) 7.642 6.790 ( 7.221 -4.893 0.767) 8.756 6.853 ( -2.484 -1.117 -4.833) 5.548 6.880 ( -6.342 -4.589 -2.447) 8.202 6.947 ( -0.726 4.012 0.985) 4.195 7.029 ( 0.896 -1.706 6.276) 6.565 7.050 ( -2.666 0.028 -4.220) 4.992 7.194 ( 3.909 0.346 4.357) 5.863 7.261 ( -2.069 2.166 -5.172) 5.977 7.352 ( 0.553 -1.534 3.280) 3.663 7.382 ( 3.362 -4.054 2.155) 5.690 7.435 ( -1.287 2.623 -4.045) 4.990 7.519 ( -0.570 -1.885 5.250) 5.608 7.581 ( -5.890 -1.048 3.837) 7.107 7.637 ( 0.909 -0.471 0.155) 1.036 7.704 ( 4.754 0.301 -5.638) 7.381 7.754 ( 2.248 -7.629 0.938) 8.008 7.837 ( 0.694 -1.002 -0.362) 1.271 7.933 ( 5.817 1.904 -0.542) 6.145 7.992 ( -4.454 0.852 1.596) 4.807 8.168 ( -6.016 -0.923 1.795) 6.346 8.211 ( 2.572 9.793 1.388) 10.220 8.369 ( 8.899 0.372 0.043) 8.907 8.386 ( 4.819 2.338 2.328) 5.841 8.462 ( 0.087 5.295 -5.662) 7.752 8.540 ( 0.368 -7.462 -2.806) 7.981 8.642 ( 4.158 2.114 0.959) 4.762 8.731 ( 2.082 -7.889 -3.958) 9.069 8.849 ( -0.741 4.821 -1.209) 5.026 8.920 ( -2.476 3.179 -0.727) 4.094 8.996 ( -1.636 2.811 -2.467) 4.082 9.028 ( -1.303 2.516 -2.850) 4.019 9.112 ( -0.904 0.146 0.275) 0.956 9.120 ( 1.727 6.618 -8.423) 10.850 9.231 ( -0.703 4.314 1.437) 4.601 9.270 ( -0.791 1.175 -0.078) 1.419 9.359 ( 1.857 7.980 2.754) 8.644 9.468 ( 0.180 -0.999 4.513) 4.625 9.535 ( 9.604 9.012 8.525) 15.688 9.669 ( 1.539 6.033 6.593) 9.068 9.783 ( 0.426 5.259 1.149) 5.400 9.806 ( 5.064 11.144 0.412) 12.247 9.844 ( 4.637 7.688 -9.267) 12.902 10.046 ( -0.599 4.341 4.005) 5.937 10.103 ( -10.588 5.344 1.758) 11.990 10.171 ( -3.535 7.346 0.640) 8.178 10.245 ( 4.577 11.205 -2.257) 12.312 10.374 ( 0.378 8.178 0.212) 8.190 10.445 ( 1.779 -1.260 -0.301) 2.201 10.648 ( -0.036 12.019 -0.826) 12.048 10.893 ( -0.681 5.925 2.386) 6.423 10.958 ( -7.702 -2.187 -0.583) 8.027 11.052 ( -2.028 -1.223 -5.540) 6.025 11.104 ( 1.897 -4.185 -1.463) 4.822 11.244 ( 1.177 -3.921 1.664) 4.419 11.302 ( 0.292 0.746 3.455) 3.546 11.417 ( 0.048 -3.188 2.760) 4.217 11.577 ( -3.857 -1.121 1.765) 4.387 11.596 ( -2.410 -2.058 0.728) 3.252 11.782 ( -2.535 -0.479 -3.384) 4.255 11.819 ( 2.085 -3.259 -3.661) 5.327 11.873 ( 1.443 -10.221 3.046) 10.762 11.997 ( 1.887 -4.825 2.870) 5.923 12.080 ( 4.821 -12.513 -0.217) 13.412 12.331 ( 3.232 -2.150 -2.916) 4.855 12.359 ( 3.718 -5.163 -2.194) 6.730 12.467 ( -6.542 -5.838 -0.925) 8.817 12.626 ( -0.471 -8.823 2.327) 9.137 12.725 ( 0.097 -12.858 -0.413) 12.865 12.825 ( -5.321 -2.516 -1.287) 6.025 13.250 ( 2.291 3.486 -0.717) 4.233 13.455 ( -1.347 2.639 3.130) 4.310 13.545 ( -4.829 6.398 -0.317) 8.022 13.591 ( 1.868 6.295 3.090) 7.257 13.699 ( 0.590 8.173 1.680) 8.364 13.852 ( 0.252 5.574 -3.411) 6.540 13.883 ( 2.165 8.459 -4.674) 9.904 13.891 ( -2.192 1.907 0.322) 2.923 13.967 ( 0.227 5.794 -0.556) 5.825 14.032 ( 0.828 1.630 1.759) 2.537 14.066 ( -0.964 7.765 -3.415) 8.538 14.138 ( -0.509 3.848 -0.662) 3.938 15.191 ( 3.653 -2.248 0.531) 4.322 15.205 ( 2.036 0.841 0.083) 2.204 15.249 ( 3.587 -0.821 -1.223) 3.878 15.329 ( 5.213 -2.840 0.066) 5.937 15.611 ( -1.460 1.085 0.130) 1.824 15.668 ( -0.295 -1.806 -2.589) 3.170 15.749 ( 4.091 -0.608 -1.464) 4.388 15.828 ( 1.619 -3.040 2.622) 4.329 15.905 ( 6.669 0.473 2.097) 7.006 16.150 ( 0.439 -2.258 -9.501) 9.775 16.484 ( -15.665 -17.493 8.099) 24.839 17.127 ( -11.448 -29.583 1.099) 31.739 18.276 ( -3.085 4.334 -1.450) 5.514 18.348 ( -4.977 4.757 0.976) 6.954 18.525 ( -0.542 5.675 1.463) 5.885 18.579 ( 0.298 1.030 -0.505) 1.185 18.634 ( 2.934 1.737 0.813) 3.506 18.699 ( 3.675 0.452 -0.595) 3.750 18.769 ( 2.850 0.262 -0.267) 2.874 18.831 ( 0.729 1.469 0.520) 1.720 19.031 ( -2.159 -2.351 -0.680) 3.263 19.116 ( -0.772 0.223 0.586) 0.995 19.237 ( 0.036 -0.443 0.025) 0.445 19.276 ( -0.068 -2.335 -0.360) 2.364 21.375 ( 4.401 -0.959 4.737) 6.537 21.481 ( -1.690 3.061 -0.176) 3.501 21.655 ( -2.466 3.397 -4.761) 6.348 22.000 ( 0.850 -3.982 -0.820) 4.154 23.343 ( -0.929 1.994 2.019) 2.986 23.363 ( -3.493 -0.090 -2.016) 4.034 23.489 ( -2.492 -0.959 0.293) 2.687 23.512 ( -2.728 -2.542 -0.343) 3.744 23.661 ( 4.965 -0.624 1.119) 5.128 23.697 ( 4.632 -2.008 -0.916) 5.130 23.836 ( 0.806 -2.202 2.403) 3.358 23.946 ( -0.166 -3.433 -0.427) 3.463 ======================= Grid point 16 (11/70) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 14.177 17.708 5.964) 23.455 1.916 ( 7.544 10.955 1.647) 13.403 1.954 ( 13.831 12.900 -2.898) 19.134 2.197 ( -1.225 9.988 -0.154) 10.064 2.334 ( -8.650 6.454 -4.813) 11.817 2.392 ( -5.381 5.859 -1.556) 8.106 2.439 ( -4.492 7.220 1.523) 8.639 2.514 ( 2.163 4.959 -3.518) 6.453 2.646 ( -2.755 3.946 2.190) 5.288 2.739 ( -3.577 7.465 -0.814) 8.317 2.763 ( -6.895 -0.096 0.140) 6.897 2.908 ( 0.299 8.207 3.993) 9.132 2.949 ( -2.231 0.151 0.387) 2.269 2.959 ( 1.515 -2.641 0.559) 3.096 3.055 ( -2.277 2.609 0.765) 3.546 3.140 ( -3.823 -9.968 2.328) 10.927 3.205 ( -1.414 -2.917 6.129) 6.934 3.321 ( -2.127 -1.902 -2.948) 4.103 3.337 ( -4.386 4.920 1.227) 6.705 3.444 ( 4.949 -3.261 4.131) 7.224 3.513 ( 4.002 -6.456 -0.355) 7.604 3.535 ( 3.063 1.326 -2.935) 4.444 3.663 ( -2.118 -2.214 0.012) 3.064 3.706 ( 4.174 1.935 0.957) 4.699 3.794 ( -1.602 -1.349 -2.372) 3.164 3.874 ( 0.781 -2.379 -2.381) 3.456 3.918 ( -1.349 -3.638 -0.954) 3.995 4.039 ( 3.669 -4.921 -5.425) 8.191 4.111 ( 2.983 -9.349 2.516) 10.131 4.206 ( 3.280 -3.886 1.508) 5.304 4.246 ( 6.586 -3.551 -6.230) 9.737 4.334 ( -4.273 -9.714 -2.863) 10.991 4.407 ( 0.380 -9.045 2.181) 9.312 4.508 ( 1.443 -6.319 -3.943) 7.587 4.642 ( 2.985 -8.872 -0.816) 9.396 4.718 ( -7.342 -3.367 -5.438) 9.737 4.864 ( 2.996 1.572 -2.222) 4.047 4.930 ( 0.432 -3.052 5.941) 6.693 4.968 ( -2.670 -2.594 0.317) 3.736 5.084 ( -10.541 -3.319 2.352) 11.299 5.203 ( 1.095 -2.349 0.508) 2.641 5.222 ( -0.355 -3.581 0.482) 3.631 5.253 ( 5.117 0.959 1.784) 5.503 5.310 ( -1.020 -4.773 -6.476) 8.109 5.385 ( -2.749 -0.427 0.390) 2.809 5.473 ( -0.401 -7.069 5.103) 8.728 5.493 ( 2.280 -6.753 5.126) 8.780 5.575 ( 3.025 1.418 10.117) 10.655 5.603 ( 5.082 1.532 2.900) 6.048 5.664 ( 1.313 0.283 2.363) 2.718 5.746 ( -3.871 -1.442 -2.493) 4.825 5.824 ( -1.239 -1.512 -2.700) 3.333 5.963 ( -2.301 0.073 -1.703) 2.864 6.037 ( 2.198 1.737 4.401) 5.216 6.069 ( 1.205 0.578 -0.934) 1.631 6.144 ( 4.678 0.516 -6.013) 7.636 6.188 ( -5.489 -6.542 -5.242) 10.020 6.235 ( 2.031 -4.236 -1.033) 4.810 6.319 ( 0.220 3.060 -3.145) 4.394 6.391 ( -0.834 -0.733 -3.122) 3.314 6.480 ( 3.867 -6.745 4.553) 9.010 6.587 ( -4.164 -6.946 -4.356) 9.196 6.670 ( -6.758 1.168 -2.409) 7.269 6.693 ( -7.328 -0.871 1.592) 7.550 6.753 ( -4.670 -4.512 1.970) 6.786 6.813 ( -4.873 -1.169 -1.007) 5.111 7.011 ( 1.236 0.733 1.587) 2.141 7.036 ( 4.456 2.588 5.150) 7.285 7.125 ( -3.108 3.490 -4.237) 6.308 7.170 ( 3.627 -5.221 1.569) 6.548 7.213 ( -6.668 -2.218 -3.869) 8.022 7.368 ( 4.199 0.579 -3.444) 5.462 7.393 ( -0.300 1.734 -0.208) 1.772 7.458 ( -2.475 -1.749 5.873) 6.609 7.550 ( 4.422 -2.596 0.774) 5.185 7.589 ( -4.927 -3.516 1.845) 6.328 7.621 ( 1.114 -1.850 3.789) 4.361 7.748 ( 3.296 -3.954 0.265) 5.155 7.808 ( 4.344 2.195 1.655) 5.141 7.892 ( 0.221 -3.448 0.333) 3.471 7.954 ( 2.723 4.122 3.061) 5.812 8.064 ( 3.937 7.818 0.711) 8.782 8.089 ( 1.506 -1.127 -0.732) 2.018 8.242 ( -4.722 1.526 0.094) 4.963 8.379 ( -0.167 0.195 -4.310) 4.318 8.406 ( 0.215 1.776 0.575) 1.879 8.501 ( 3.288 -7.465 -0.028) 8.157 8.620 ( 3.516 -4.237 -0.407) 5.521 8.653 ( -3.772 9.214 -15.355) 18.300 8.695 ( 3.035 -0.820 -6.888) 7.571 8.807 ( -1.183 -2.829 1.818) 3.564 8.854 ( 3.677 5.425 1.173) 6.658 8.954 ( 0.042 1.107 -0.320) 1.153 8.985 ( 1.232 -2.791 -0.164) 3.055 9.134 ( -0.111 -0.015 3.169) 3.171 9.177 ( -0.963 -1.801 1.086) 2.313 9.269 ( 1.726 5.175 2.999) 6.225 9.300 ( 7.281 3.273 4.087) 8.968 9.461 ( 5.498 5.493 3.965) 8.725 9.554 ( 1.976 2.224 6.779) 7.403 9.696 ( -1.311 2.783 -0.898) 3.205 9.743 ( 1.288 4.130 -3.653) 5.662 9.766 ( -0.451 1.500 4.799) 5.048 9.815 ( -2.064 8.048 -2.411) 8.651 9.885 ( 5.870 6.834 -1.462) 9.126 9.973 ( -1.369 9.932 -0.576) 10.042 10.029 ( -3.499 3.030 -1.633) 4.908 10.096 ( -4.630 8.617 -0.156) 9.784 10.302 ( 1.655 14.582 0.597) 14.688 10.410 ( -2.689 2.843 3.394) 5.180 10.453 ( 2.595 4.674 -1.369) 5.518 10.644 ( 1.474 9.842 -0.305) 9.957 10.812 ( -3.023 6.911 -4.011) 8.543 10.844 ( -3.544 9.148 -0.389) 9.818 11.074 ( 4.147 -5.182 -1.227) 6.750 11.128 ( 0.998 0.315 2.625) 2.826 11.278 ( -1.611 -5.647 -1.447) 6.048 11.292 ( -2.257 2.896 2.188) 4.274 11.382 ( -3.482 -1.059 -1.743) 4.035 11.514 ( -4.389 6.322 3.228) 8.346 11.611 ( -0.466 -3.802 2.445) 4.545 11.689 ( -4.097 -1.490 -0.779) 4.429 11.779 ( 0.933 -2.504 -6.140) 6.696 11.943 ( 1.986 -9.092 1.917) 9.502 12.095 ( 3.716 -5.479 1.688) 6.832 12.171 ( 5.653 -12.654 1.015) 13.897 12.318 ( -1.070 -5.343 -0.519) 5.474 12.394 ( 3.124 -6.216 -0.617) 6.984 12.445 ( 4.519 -3.962 -1.308) 6.151 12.593 ( -4.484 -10.453 0.563) 11.388 12.697 ( -6.004 -3.359 -2.791) 7.425 12.707 ( -2.421 -10.600 -0.008) 10.873 13.318 ( 4.255 3.702 2.201) 6.054 13.455 ( -0.960 4.429 -1.442) 4.756 13.486 ( -1.788 5.453 3.829) 6.898 13.632 ( -2.423 4.689 2.076) 5.671 13.759 ( 0.551 8.319 1.817) 8.533 13.805 ( 3.118 4.270 -3.077) 6.118 13.875 ( -3.043 5.238 3.637) 7.066 13.889 ( 3.112 7.147 -2.599) 8.217 13.971 ( 1.095 8.259 -2.328) 8.651 14.002 ( -0.613 6.015 -2.763) 6.647 14.063 ( 0.473 1.697 0.421) 1.811 14.100 ( -1.468 6.055 -2.470) 6.702 15.244 ( 3.288 -1.858 -1.317) 4.000 15.262 ( 3.750 -2.739 1.199) 4.796 15.298 ( 2.174 -3.728 -0.328) 4.328 15.386 ( 1.134 -3.727 -0.796) 3.977 15.595 ( -0.087 -1.699 -2.947) 3.403 15.646 ( 0.729 -2.130 1.281) 2.591 15.793 ( 0.607 1.321 -4.247) 4.489 15.865 ( 2.825 -1.838 -0.696) 3.442 16.020 ( 0.190 -3.535 -6.444) 7.353 16.109 ( 10.372 -0.769 5.619) 11.822 16.384 ( -7.196 -16.844 7.835) 19.922 16.851 ( -20.932 -14.778 1.393) 25.661 18.223 ( -1.885 4.692 -1.806) 5.369 18.366 ( 4.667 0.485 2.180) 5.173 18.501 ( -2.447 3.186 1.027) 4.146 18.584 ( -0.627 1.575 0.802) 1.875 18.670 ( -1.257 -1.708 2.667) 3.408 18.743 ( 3.344 1.949 -4.488) 5.927 18.789 ( 1.482 0.806 -0.139) 1.693 18.861 ( 1.183 2.069 1.301) 2.716 18.971 ( -2.984 -4.288 -1.209) 5.362 19.102 ( -1.123 0.894 0.280) 1.462 19.254 ( 1.163 1.592 0.188) 1.980 19.267 ( -0.673 -2.029 0.394) 2.174 21.432 ( -2.128 -1.456 -1.139) 2.819 21.491 ( 1.167 -1.726 1.403) 2.512 21.624 ( 3.798 3.031 1.021) 4.965 21.954 ( -2.759 -1.957 -3.318) 4.738 23.273 ( -3.476 -1.138 -2.112) 4.223 23.362 ( -0.143 1.812 2.202) 2.855 23.454 ( -1.769 -2.700 -0.161) 3.232 23.470 ( -1.617 -2.235 0.130) 2.762 23.755 ( 4.922 -1.115 -1.084) 5.162 23.777 ( 4.838 -0.382 0.878) 4.932 23.853 ( -1.713 -1.967 1.787) 3.162 23.931 ( -0.942 -2.380 -0.655) 2.642 ======================= Grid point 17 (12/70) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -0.000 4.788 0.000) 4.788 2.018 ( 0.000 10.101 0.000) 10.101 2.028 ( -0.000 9.040 -0.000) 9.040 2.170 ( 0.000 10.650 0.000) 10.650 2.200 ( -0.000 10.704 -0.000) 10.704 2.283 ( 0.000 12.971 0.000) 12.971 2.410 ( 0.000 9.486 0.000) 9.486 2.499 ( 0.000 11.204 0.000) 11.204 2.661 ( -0.000 3.384 0.000) 3.384 2.682 ( -0.000 0.398 0.000) 0.398 2.686 ( 0.000 0.189 -0.000) 0.189 2.890 ( 0.000 2.123 -0.000) 2.123 2.924 ( 0.000 3.888 0.000) 3.888 2.987 ( 0.000 -6.355 0.000) 6.355 3.020 ( 0.000 -5.594 0.000) 5.594 3.139 ( 0.000 -7.157 0.000) 7.157 3.186 ( 0.000 -7.045 0.000) 7.045 3.304 ( -0.000 -3.598 -0.000) 3.598 3.313 ( 0.000 7.354 0.000) 7.354 3.496 ( 0.000 -1.042 -0.000) 1.042 3.543 ( 0.000 -3.064 0.000) 3.064 3.573 ( 0.000 -3.602 0.000) 3.602 3.699 ( 0.000 -1.873 0.000) 1.873 3.764 ( 0.000 2.764 0.000) 2.764 3.795 ( 0.000 -5.244 0.000) 5.244 3.863 ( 0.000 -1.481 0.000) 1.481 3.872 ( 0.000 -5.054 0.000) 5.054 4.044 ( 0.000 -3.021 0.000) 3.021 4.131 ( 0.000 -13.588 0.000) 13.588 4.211 ( 0.000 -2.569 0.000) 2.569 4.299 ( 0.000 3.846 0.000) 3.846 4.321 ( -0.000 -18.381 -0.000) 18.381 4.416 ( 0.000 -8.831 -0.000) 8.831 4.512 ( 0.000 3.842 0.000) 3.842 4.576 ( 0.000 -7.736 0.000) 7.736 4.815 ( 0.000 -3.595 0.000) 3.595 4.857 ( 0.000 -2.620 -0.000) 2.620 4.860 ( 0.000 -0.965 0.000) 0.965 4.917 ( 0.000 6.191 -0.000) 6.191 5.022 ( 0.000 -2.535 0.000) 2.535 5.141 ( 0.000 -2.886 0.000) 2.886 5.268 ( -0.000 -4.857 0.000) 4.857 5.290 ( 0.000 2.284 0.000) 2.284 5.302 ( 0.000 -3.943 -0.000) 3.943 5.338 ( 0.000 -2.936 0.000) 2.936 5.464 ( 0.000 -1.681 0.000) 1.681 5.603 ( 0.000 3.304 0.000) 3.304 5.606 ( 0.000 -9.642 -0.000) 9.642 5.655 ( 0.000 -2.010 0.000) 2.010 5.682 ( 0.000 4.677 -0.000) 4.677 5.794 ( 0.000 -6.266 0.000) 6.266 5.799 ( 0.000 2.576 -0.000) 2.576 5.928 ( 0.000 -3.354 0.000) 3.354 6.038 ( 0.000 -1.552 0.000) 1.552 6.053 ( 0.000 1.372 -0.000) 1.372 6.116 ( 0.000 0.437 0.000) 0.437 6.200 ( 0.000 6.165 0.000) 6.165 6.213 ( -0.000 2.060 -0.000) 2.060 6.341 ( 0.000 0.118 0.000) 0.118 6.422 ( 0.000 -5.944 0.000) 5.944 6.487 ( 0.000 -9.124 -0.000) 9.124 6.535 ( -0.000 -3.403 0.000) 3.403 6.575 ( 0.000 -5.194 0.000) 5.194 6.620 ( 0.000 -4.696 0.000) 4.696 6.734 ( 0.000 5.078 0.000) 5.078 6.840 ( -0.000 -8.610 0.000) 8.610 6.904 ( 0.000 -8.165 0.000) 8.165 7.032 ( 0.000 0.209 0.000) 0.209 7.137 ( 0.000 3.783 0.000) 3.783 7.166 ( 0.000 4.177 0.000) 4.177 7.258 ( 0.000 -5.534 0.000) 5.534 7.323 ( 0.000 0.407 0.000) 0.407 7.368 ( 0.000 0.736 0.000) 0.736 7.515 ( 0.000 1.890 0.000) 1.890 7.524 ( -0.000 -1.955 0.000) 1.955 7.597 ( -0.000 2.573 0.000) 2.573 7.651 ( 0.000 -7.789 -0.000) 7.789 7.807 ( 0.000 -5.803 0.000) 5.803 7.918 ( 0.000 -0.398 -0.000) 0.398 7.944 ( -0.000 3.240 0.000) 3.240 7.952 ( 0.000 -6.977 0.000) 6.977 8.055 ( 0.000 17.466 0.000) 17.466 8.165 ( 0.000 -1.711 0.000) 1.711 8.259 ( 0.000 17.535 0.000) 17.535 8.261 ( -0.000 -2.874 -0.000) 2.874 8.365 ( 0.000 -10.682 0.000) 10.682 8.467 ( 0.000 -2.421 0.000) 2.421 8.533 ( 0.000 -2.616 0.000) 2.616 8.649 ( 0.000 -0.649 0.000) 0.649 8.692 ( -0.000 -1.315 -0.000) 1.315 8.792 ( 0.000 -6.111 0.000) 6.111 8.934 ( 0.000 -0.646 0.000) 0.646 8.980 ( 0.000 2.353 0.000) 2.353 9.010 ( 0.000 2.628 -0.000) 2.628 9.153 ( 0.000 -0.534 0.000) 0.534 9.169 ( 0.000 -0.038 0.000) 0.038 9.298 ( 0.000 3.243 0.000) 3.243 9.427 ( 0.000 5.597 0.000) 5.597 9.578 ( 0.000 8.151 0.000) 8.151 9.606 ( 0.000 -5.048 0.000) 5.048 9.671 ( 0.000 -1.125 0.000) 1.125 9.709 ( 0.000 3.647 0.000) 3.647 9.758 ( -0.000 2.292 -0.000) 2.292 9.775 ( 0.000 5.757 0.000) 5.757 9.903 ( 0.000 8.547 0.000) 8.547 9.981 ( 0.000 6.335 0.000) 6.335 10.017 ( -0.000 5.988 -0.000) 5.988 10.028 ( 0.000 8.718 0.000) 8.718 10.307 ( 0.000 13.155 0.000) 13.155 10.391 ( 0.000 8.053 0.000) 8.053 10.482 ( 0.000 8.268 0.000) 8.268 10.659 ( 0.000 3.424 0.000) 3.424 10.788 ( 0.000 6.699 0.000) 6.699 10.816 ( 0.000 16.227 0.000) 16.227 11.105 ( -0.000 2.516 0.000) 2.516 11.130 ( 0.000 -4.018 0.000) 4.018 11.238 ( 0.000 -7.571 0.000) 7.571 11.274 ( 0.000 -2.528 0.000) 2.528 11.362 ( -0.000 10.055 0.000) 10.055 11.490 ( 0.000 6.098 0.000) 6.098 11.610 ( 0.000 0.284 0.000) 0.284 11.653 ( 0.000 -5.728 0.000) 5.728 11.745 ( 0.000 -4.785 0.000) 4.785 11.972 ( 0.000 -8.176 0.000) 8.176 12.129 ( 0.000 -9.505 0.000) 9.505 12.258 ( 0.000 -9.786 0.000) 9.786 12.306 ( 0.000 -5.337 0.000) 5.337 12.457 ( 0.000 -2.481 0.000) 2.481 12.463 ( -0.000 -5.183 -0.000) 5.183 12.553 ( 0.000 -14.857 0.000) 14.857 12.618 ( 0.000 -9.878 0.000) 9.878 12.659 ( 0.000 -1.714 0.000) 1.714 13.404 ( 0.000 2.860 0.000) 2.860 13.417 ( -0.000 3.770 -0.000) 3.770 13.505 ( 0.000 5.440 0.000) 5.440 13.608 ( 0.000 3.803 0.000) 3.803 13.740 ( 0.000 3.680 -0.000) 3.680 13.841 ( 0.000 4.339 0.000) 4.339 13.900 ( 0.000 10.919 0.000) 10.919 13.904 ( 0.000 12.678 -0.000) 12.678 13.936 ( 0.000 3.735 0.000) 3.735 14.013 ( -0.000 1.389 -0.000) 1.389 14.030 ( 0.000 7.875 0.000) 7.875 14.082 ( 0.000 3.653 0.000) 3.653 15.270 ( 0.000 -2.581 0.000) 2.581 15.310 ( 0.000 -5.307 0.000) 5.307 15.335 ( -0.000 -4.711 -0.000) 4.711 15.359 ( 0.000 -2.896 0.000) 2.896 15.570 ( 0.000 -2.022 0.000) 2.022 15.704 ( 0.000 -2.298 0.000) 2.298 15.706 ( -0.000 0.518 -0.000) 0.518 15.877 ( 0.000 -2.143 0.000) 2.143 16.028 ( -0.000 -8.069 0.000) 8.069 16.253 ( 0.000 -7.942 0.000) 7.942 16.499 ( 0.000 -3.358 0.000) 3.358 16.514 ( -0.000 -7.971 0.000) 7.971 18.194 ( 0.000 4.590 0.000) 4.590 18.440 ( 0.000 1.187 0.000) 1.187 18.516 ( 0.000 4.431 0.000) 4.431 18.549 ( 0.000 -3.052 0.000) 3.052 18.682 ( 0.000 -4.716 -0.000) 4.716 18.719 ( 0.000 3.115 0.000) 3.115 18.815 ( 0.000 1.990 0.000) 1.990 18.881 ( 0.000 3.307 0.000) 3.307 18.932 ( 0.000 -5.243 0.000) 5.243 19.093 ( 0.000 1.072 0.000) 1.072 19.260 ( 0.000 -1.753 0.000) 1.753 19.271 ( -0.000 2.363 0.000) 2.363 21.399 ( 0.000 -4.049 -0.000) 4.049 21.494 ( 0.000 -1.523 0.000) 1.523 21.709 ( 0.000 3.516 0.000) 3.516 21.883 ( 0.000 -2.445 0.000) 2.445 23.225 ( 0.000 -1.347 0.000) 1.347 23.378 ( 0.000 2.055 0.000) 2.055 23.434 ( 0.000 -3.862 0.000) 3.862 23.459 ( 0.000 -1.962 0.000) 1.962 23.804 ( 0.000 -0.834 -0.000) 0.834 23.815 ( -0.000 -1.496 0.000) 1.496 23.858 ( 0.000 -0.665 0.000) 0.665 23.905 ( 0.000 -1.748 0.000) 1.748 ======================= Grid point 21 (13/70) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 0.000 21.742 0.000) 21.742 1.917 ( 0.000 24.714 0.000) 24.714 2.255 ( 0.000 11.494 0.000) 11.494 2.393 ( 0.000 -2.977 0.000) 2.977 2.452 ( 0.000 -0.405 0.000) 0.405 2.541 ( 0.000 4.999 0.000) 4.999 2.583 ( 0.000 6.916 0.000) 6.916 2.623 ( 0.000 -5.256 0.000) 5.256 2.777 ( 0.000 1.059 0.000) 1.059 2.823 ( 0.000 -5.187 0.000) 5.187 2.890 ( 0.000 -0.753 0.000) 0.753 2.910 ( 0.000 -4.901 0.000) 4.901 2.994 ( 0.000 1.756 0.000) 1.756 3.001 ( 0.000 -5.679 0.000) 5.679 3.074 ( 0.000 7.884 0.000) 7.884 3.137 ( 0.000 -0.409 0.000) 0.409 3.175 ( 0.000 2.868 0.000) 2.868 3.241 ( 0.000 2.592 0.000) 2.592 3.407 ( 0.000 0.056 0.000) 0.056 3.412 ( 0.000 -2.581 0.000) 2.581 3.490 ( 0.000 4.073 0.000) 4.073 3.535 ( 0.000 -5.824 0.000) 5.824 3.578 ( 0.000 -7.978 0.000) 7.978 3.701 ( 0.000 -0.278 0.000) 0.278 3.767 ( 0.000 5.399 0.000) 5.399 3.820 ( 0.000 -2.425 0.000) 2.425 3.932 ( 0.000 1.069 0.000) 1.069 4.030 ( 0.000 -7.629 0.000) 7.629 4.043 ( 0.000 4.928 0.000) 4.928 4.128 ( 0.000 -6.362 0.000) 6.362 4.230 ( 0.000 -0.753 0.000) 0.753 4.239 ( 0.000 -9.034 0.000) 9.034 4.407 ( 0.000 -9.687 0.000) 9.687 4.461 ( 0.000 0.136 0.000) 0.136 4.512 ( 0.000 -1.327 0.000) 1.327 4.586 ( 0.000 -17.176 0.000) 17.176 4.691 ( 0.000 -2.680 0.000) 2.680 4.731 ( 0.000 -4.528 0.000) 4.528 4.806 ( 0.000 8.127 0.000) 8.127 4.960 ( 0.000 -2.533 0.000) 2.533 4.992 ( 0.000 -4.771 0.000) 4.771 5.034 ( 0.000 1.921 0.000) 1.921 5.171 ( 0.000 -2.951 0.000) 2.951 5.181 ( 0.000 1.795 0.000) 1.795 5.395 ( 0.000 -4.943 0.000) 4.943 5.439 ( 0.000 -4.273 0.000) 4.273 5.496 ( 0.000 0.815 0.000) 0.815 5.588 ( 0.000 -6.969 0.000) 6.969 5.618 ( 0.000 1.817 0.000) 1.817 5.629 ( 0.000 -10.832 0.000) 10.832 5.648 ( 0.000 3.128 0.000) 3.128 5.694 ( 0.000 -2.056 0.000) 2.056 5.836 ( 0.000 1.419 0.000) 1.419 5.997 ( 0.000 -5.380 0.000) 5.380 6.054 ( 0.000 -13.149 0.000) 13.149 6.165 ( 0.000 -0.393 0.000) 0.393 6.207 ( 0.000 0.890 0.000) 0.890 6.255 ( 0.000 1.397 0.000) 1.397 6.312 ( 0.000 -4.777 0.000) 4.777 6.316 ( 0.000 1.672 0.000) 1.672 6.575 ( 0.000 -0.976 0.000) 0.976 6.609 ( 0.000 -0.841 0.000) 0.841 6.688 ( 0.000 -0.820 0.000) 0.820 6.770 ( 0.000 -2.833 0.000) 2.833 6.815 ( 0.000 -2.323 0.000) 2.323 6.894 ( 0.000 -4.883 0.000) 4.883 6.939 ( 0.000 -0.844 0.000) 0.844 6.985 ( 0.000 -5.042 0.000) 5.042 7.098 ( 0.000 4.790 0.000) 4.790 7.141 ( 0.000 6.616 0.000) 6.616 7.182 ( 0.000 -6.063 0.000) 6.063 7.349 ( 0.000 -1.670 0.000) 1.670 7.392 ( 0.000 0.495 0.000) 0.495 7.474 ( 0.000 0.950 0.000) 0.950 7.532 ( 0.000 -2.137 0.000) 2.137 7.571 ( 0.000 4.900 0.000) 4.900 7.663 ( 0.000 2.583 0.000) 2.583 7.721 ( 0.000 -2.259 0.000) 2.259 7.777 ( 0.000 -2.480 0.000) 2.480 7.864 ( 0.000 1.713 0.000) 1.713 7.873 ( 0.000 8.185 0.000) 8.185 7.986 ( 0.000 0.839 0.000) 0.839 8.195 ( 0.000 -3.954 0.000) 3.954 8.241 ( 0.000 -1.517 0.000) 1.517 8.253 ( 0.000 -12.011 0.000) 12.011 8.439 ( 0.000 9.468 0.000) 9.468 8.443 ( 0.000 6.038 0.000) 6.038 8.467 ( 0.000 -3.617 0.000) 3.617 8.657 ( 0.000 -1.132 0.000) 1.132 8.681 ( 0.000 4.305 0.000) 4.305 8.905 ( 0.000 -2.860 0.000) 2.860 8.947 ( 0.000 -4.817 0.000) 4.817 9.006 ( 0.000 3.096 0.000) 3.096 9.138 ( 0.000 -8.927 0.000) 8.927 9.158 ( 0.000 -0.109 0.000) 0.109 9.216 ( 0.000 0.286 0.000) 0.286 9.266 ( 0.000 2.753 0.000) 2.753 9.368 ( 0.000 4.223 0.000) 4.223 9.508 ( 0.000 12.704 0.000) 12.704 9.547 ( 0.000 12.071 0.000) 12.071 9.599 ( 0.000 12.015 0.000) 12.015 9.783 ( 0.000 3.608 0.000) 3.608 9.851 ( 0.000 7.982 0.000) 7.982 9.915 ( 0.000 0.339 0.000) 0.339 10.085 ( 0.000 1.406 0.000) 1.406 10.154 ( 0.000 13.325 0.000) 13.325 10.200 ( 0.000 -0.177 0.000) 0.177 10.204 ( 0.000 1.318 0.000) 1.318 10.412 ( 0.000 -3.921 0.000) 3.921 10.593 ( 0.000 17.444 0.000) 17.444 10.628 ( 0.000 8.635 0.000) 8.635 10.690 ( 0.000 2.403 0.000) 2.403 10.900 ( 0.000 -4.511 0.000) 4.511 10.903 ( 0.000 -2.462 0.000) 2.462 11.082 ( 0.000 1.064 0.000) 1.064 11.104 ( 0.000 3.643 0.000) 3.643 11.271 ( 0.000 -4.574 0.000) 4.574 11.273 ( 0.000 3.518 0.000) 3.518 11.348 ( 0.000 4.803 0.000) 4.803 11.527 ( 0.000 -9.276 0.000) 9.276 11.566 ( 0.000 4.317 0.000) 4.317 11.617 ( 0.000 -8.831 0.000) 8.831 11.761 ( 0.000 -9.535 0.000) 9.535 11.861 ( 0.000 -5.350 0.000) 5.350 11.871 ( 0.000 7.444 0.000) 7.444 11.910 ( 0.000 1.411 0.000) 1.411 12.223 ( 0.000 -3.640 0.000) 3.640 12.303 ( 0.000 -1.905 0.000) 1.905 12.435 ( 0.000 -4.351 0.000) 4.351 12.454 ( 0.000 -6.131 0.000) 6.131 12.484 ( 0.000 -11.789 0.000) 11.789 12.782 ( 0.000 -7.333 0.000) 7.333 13.308 ( 0.000 4.199 0.000) 4.199 13.503 ( 0.000 1.231 0.000) 1.231 13.596 ( 0.000 2.824 0.000) 2.824 13.690 ( 0.000 0.831 0.000) 0.831 13.807 ( 0.000 4.332 0.000) 4.332 13.935 ( 0.000 -1.826 0.000) 1.826 13.953 ( 0.000 3.893 0.000) 3.893 14.017 ( 0.000 3.223 0.000) 3.223 14.030 ( 0.000 3.803 0.000) 3.803 14.046 ( 0.000 1.255 0.000) 1.255 14.210 ( 0.000 4.328 0.000) 4.328 14.226 ( 0.000 4.290 0.000) 4.290 15.126 ( 0.000 -0.072 0.000) 0.072 15.214 ( 0.000 -0.572 0.000) 0.572 15.239 ( 0.000 1.200 0.000) 1.200 15.268 ( 0.000 1.106 0.000) 1.106 15.671 ( 0.000 0.001 0.000) 0.001 15.675 ( 0.000 -2.001 0.000) 2.001 15.722 ( 0.000 1.241 0.000) 1.241 15.747 ( 0.000 4.220 0.000) 4.220 15.865 ( 0.000 2.413 0.000) 2.413 16.043 ( 0.000 -6.300 0.000) 6.300 16.362 ( 0.000 -13.454 0.000) 13.454 16.592 ( 0.000 -24.446 0.000) 24.446 18.457 ( 0.000 5.636 0.000) 5.636 18.556 ( 0.000 6.300 0.000) 6.300 18.573 ( 0.000 2.389 0.000) 2.389 18.625 ( 0.000 6.211 0.000) 6.211 18.650 ( 0.000 1.982 0.000) 1.982 18.661 ( 0.000 -0.396 0.000) 0.396 18.786 ( 0.000 2.437 0.000) 2.437 18.840 ( 0.000 0.228 0.000) 0.228 18.976 ( 0.000 -5.302 0.000) 5.302 19.057 ( 0.000 -5.278 0.000) 5.278 19.238 ( 0.000 1.690 0.000) 1.690 19.287 ( 0.000 1.211 0.000) 1.211 21.286 ( 0.000 0.166 0.000) 0.166 21.498 ( 0.000 -3.446 0.000) 3.446 21.801 ( 0.000 1.702 0.000) 1.702 21.872 ( 0.000 -3.802 0.000) 3.802 23.398 ( 0.000 3.769 0.000) 3.769 23.444 ( 0.000 1.277 0.000) 1.277 23.517 ( 0.000 0.868 0.000) 0.868 23.529 ( 0.000 0.409 0.000) 0.409 23.546 ( 0.000 -2.000 0.000) 2.000 23.598 ( 0.000 -3.709 0.000) 3.709 23.755 ( 0.000 -3.318 0.000) 3.318 23.848 ( 0.000 -6.104 0.000) 6.104 ======================= Grid point 22 (14/70) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 8.058 18.407 0.187) 20.094 2.007 ( 7.494 21.834 5.276) 23.680 2.196 ( -4.267 9.753 -2.907) 11.035 2.368 ( -2.304 1.030 0.762) 2.636 2.461 ( 2.923 3.081 -0.722) 4.308 2.524 ( -1.441 2.861 -0.438) 3.233 2.576 ( 2.009 0.882 -4.397) 4.914 2.602 ( -2.809 2.293 0.275) 3.636 2.765 ( -4.331 1.873 5.504) 7.250 2.772 ( -3.004 -5.348 -2.286) 6.546 2.847 ( -4.118 -1.183 -0.044) 4.284 2.927 ( -5.032 -8.962 4.970) 11.416 2.978 ( 0.895 1.979 0.742) 2.295 3.023 ( -0.742 2.719 0.549) 2.872 3.100 ( -4.389 2.449 2.450) 5.591 3.155 ( 0.535 -3.117 -1.572) 3.532 3.195 ( -2.201 3.387 -0.295) 4.050 3.222 ( 3.860 -3.064 3.119) 5.832 3.309 ( -2.358 -0.312 -2.225) 3.257 3.399 ( 0.068 2.777 -1.199) 3.026 3.480 ( 0.286 -0.943 -1.998) 2.228 3.559 ( 0.628 0.726 2.168) 2.371 3.615 ( -0.029 -5.106 0.264) 5.113 3.667 ( -1.833 -7.752 -0.494) 7.981 3.799 ( -6.394 -7.570 1.454) 10.015 3.857 ( 0.288 -0.396 -2.365) 2.415 3.875 ( 1.541 2.894 1.730) 3.707 3.936 ( -3.409 -2.164 3.228) 5.169 4.031 ( -0.684 7.223 -5.192) 8.922 4.139 ( -2.798 -4.493 3.724) 6.472 4.181 ( -0.021 -1.807 -4.068) 4.451 4.253 ( -1.900 -8.070 -0.388) 8.300 4.351 ( 3.177 -0.330 -6.180) 6.957 4.444 ( 0.572 -4.446 -3.295) 5.563 4.488 ( -9.254 -2.259 2.777) 9.922 4.645 ( 3.963 -14.815 1.804) 15.442 4.675 ( 2.269 -5.428 -0.127) 5.885 4.750 ( 2.303 -7.525 -0.580) 7.891 4.847 ( 6.613 -5.691 2.593) 9.102 4.988 ( 0.111 3.034 2.670) 4.043 5.060 ( 5.099 -1.494 0.300) 5.322 5.158 ( 1.121 -4.172 -3.243) 5.402 5.216 ( 3.443 -2.934 5.338) 6.997 5.255 ( 8.549 4.792 2.089) 10.020 5.325 ( -1.097 -2.160 -0.430) 2.461 5.400 ( -0.386 0.420 -2.646) 2.707 5.471 ( -1.061 -3.881 -8.050) 9.000 5.514 ( -0.531 2.089 -0.017) 2.155 5.553 ( 2.813 0.932 -1.628) 3.381 5.668 ( 0.898 -4.215 0.738) 4.373 5.719 ( 2.066 -0.782 -0.467) 2.258 5.760 ( 4.947 -0.103 1.689) 5.228 5.868 ( 1.046 -1.567 1.918) 2.689 6.013 ( -1.256 -4.648 -5.517) 7.323 6.036 ( -0.229 -3.825 4.806) 6.146 6.080 ( 0.956 -2.196 -1.809) 3.002 6.140 ( -0.862 -7.217 -5.788) 9.291 6.213 ( 0.917 -2.575 2.073) 3.431 6.411 ( -6.773 -0.613 1.254) 6.915 6.420 ( 1.019 0.038 1.595) 1.893 6.491 ( -1.013 1.501 -1.416) 2.299 6.575 ( -4.804 -1.670 -2.252) 5.562 6.628 ( -2.965 -2.710 1.565) 4.311 6.759 ( 1.311 -0.954 -3.099) 3.498 6.865 ( -1.940 0.093 0.470) 1.999 6.902 ( -0.883 2.634 -0.668) 2.857 6.959 ( 4.046 -2.866 4.786) 6.891 7.013 ( -0.936 -2.117 2.407) 3.339 7.056 ( -2.080 1.998 2.580) 3.870 7.195 ( 1.032 1.131 5.495) 5.704 7.272 ( 7.247 -2.198 -0.838) 7.620 7.292 ( -3.418 -0.780 -4.947) 6.063 7.363 ( -5.485 -2.149 2.132) 6.265 7.460 ( -4.705 -2.712 3.411) 6.413 7.477 ( -0.387 0.654 -3.005) 3.100 7.587 ( 1.628 2.296 0.388) 2.841 7.633 ( -2.007 -0.143 -1.454) 2.482 7.690 ( 1.258 -2.065 -6.166) 6.623 7.720 ( 1.481 -0.161 0.814) 1.697 7.829 ( -4.356 3.179 5.080) 7.409 7.939 ( 0.618 -3.648 1.182) 3.884 7.973 ( -1.082 0.922 -1.340) 1.954 8.170 ( -7.187 -1.786 3.523) 8.201 8.270 ( 3.923 -4.923 -1.126) 6.395 8.315 ( 3.316 -1.167 -3.385) 4.880 8.366 ( 4.544 0.835 2.158) 5.099 8.492 ( 5.087 -0.691 -6.291) 8.120 8.594 ( -1.288 7.249 4.741) 8.757 8.640 ( 1.889 3.336 0.443) 3.859 8.736 ( 4.800 0.269 -0.817) 4.876 8.886 ( -2.459 -3.148 -1.655) 4.324 8.916 ( -2.487 -3.982 6.307) 7.862 8.958 ( -1.742 2.403 0.856) 3.089 9.043 ( -1.270 -3.069 -4.061) 5.247 9.167 ( -2.571 1.848 -0.824) 3.272 9.209 ( 0.335 1.855 -3.266) 3.771 9.321 ( -1.097 -0.739 1.941) 2.348 9.360 ( -1.143 6.031 -7.687) 9.837 9.398 ( 1.297 8.976 -0.022) 9.069 9.538 ( 3.088 5.203 1.373) 6.205 9.708 ( 0.438 3.924 3.321) 5.159 9.785 ( -1.836 6.534 3.283) 7.540 9.840 ( -2.351 2.874 0.717) 3.782 9.937 ( -0.167 -0.934 -0.102) 0.955 10.086 ( 1.550 6.415 0.666) 6.634 10.152 ( -1.324 9.253 2.308) 9.627 10.190 ( 1.921 5.903 -4.185) 7.487 10.239 ( 1.507 5.675 3.767) 6.976 10.428 ( 1.362 0.516 -0.053) 1.457 10.600 ( 2.686 18.377 -3.672) 18.932 10.647 ( 1.711 10.847 0.255) 10.984 10.745 ( 3.255 -0.433 -0.402) 3.308 10.826 ( -3.022 -6.948 3.593) 8.385 10.951 ( 4.363 -1.578 -6.555) 8.031 11.070 ( 0.052 4.472 -0.046) 4.473 11.114 ( 0.894 4.080 -0.117) 4.179 11.238 ( -3.337 1.546 2.031) 4.201 11.322 ( -2.297 -4.206 3.180) 5.751 11.349 ( 3.761 3.059 -0.847) 4.921 11.496 ( -0.084 -6.975 -1.768) 7.196 11.624 ( 0.330 -3.931 0.407) 3.966 11.639 ( 3.429 -1.619 3.218) 4.973 11.714 ( -5.231 -7.532 1.021) 9.227 11.825 ( -0.792 -0.317 -3.036) 3.153 11.881 ( 0.358 -3.622 0.004) 3.640 11.971 ( 4.457 3.155 3.541) 6.509 12.239 ( 2.245 -3.659 -1.257) 4.473 12.323 ( 2.804 -3.065 -1.736) 4.502 12.363 ( -4.385 -4.178 -2.974) 6.747 12.469 ( -3.119 -7.509 1.159) 8.213 12.480 ( 1.112 -8.497 1.706) 8.738 12.741 ( -2.510 -6.365 -3.048) 7.490 13.333 ( 1.514 4.380 1.647) 4.919 13.489 ( -2.157 0.844 2.110) 3.134 13.629 ( -0.504 2.691 1.976) 3.377 13.681 ( -0.188 2.450 1.864) 3.085 13.817 ( 1.396 3.331 0.331) 3.627 13.892 ( -2.808 -0.708 -1.289) 3.170 13.947 ( -0.470 3.359 -1.059) 3.553 14.006 ( 0.679 2.546 -1.451) 3.008 14.036 ( 0.820 3.855 0.251) 3.949 14.065 ( 0.439 1.032 0.981) 1.490 14.209 ( 1.690 5.629 -3.561) 6.871 14.238 ( 1.584 4.730 -1.045) 5.097 15.155 ( 1.938 -1.082 1.269) 2.556 15.214 ( 0.148 0.129 -0.687) 0.714 15.234 ( 0.551 -0.899 -0.466) 1.153 15.298 ( 2.065 -0.393 0.244) 2.116 15.627 ( -3.466 0.304 1.931) 3.979 15.633 ( -3.092 -0.250 -1.278) 3.355 15.773 ( 0.721 -1.859 1.023) 2.241 15.795 ( 5.782 3.839 0.126) 6.942 15.928 ( 5.624 1.747 1.579) 6.097 16.071 ( 2.488 -4.761 0.968) 5.458 16.204 ( -9.416 -10.796 -7.652) 16.241 16.601 ( -1.548 -21.810 1.823) 21.941 18.373 ( -5.154 5.136 -0.020) 7.276 18.453 ( -5.881 5.430 -0.755) 8.040 18.592 ( -3.730 0.176 -0.095) 3.736 18.623 ( 0.073 2.360 1.714) 2.918 18.696 ( 1.210 5.026 0.742) 5.222 18.737 ( 5.630 3.026 -0.082) 6.392 18.770 ( 1.636 -0.429 -1.345) 2.161 18.851 ( -0.011 0.479 1.858) 1.919 18.951 ( -1.465 -4.769 -1.858) 5.323 19.076 ( 1.578 -3.629 -0.324) 3.970 19.257 ( 1.167 2.131 1.537) 2.875 19.272 ( -0.500 1.084 -1.376) 1.822 21.347 ( 2.900 -1.366 5.000) 5.939 21.463 ( -2.503 -3.323 -2.019) 4.624 21.723 ( -3.576 2.580 -2.865) 5.259 21.909 ( 0.612 -4.429 0.677) 4.522 23.370 ( -4.578 0.867 -2.158) 5.134 23.393 ( -2.369 2.801 2.239) 4.298 23.467 ( -3.059 -1.324 0.519) 3.373 23.474 ( -3.966 -0.969 -0.345) 4.097 23.648 ( 5.210 -2.355 -0.949) 5.795 23.654 ( 6.400 0.102 1.030) 6.483 23.786 ( 2.306 -2.843 0.337) 3.677 23.857 ( 0.860 -5.328 0.037) 5.397 ======================= Grid point 23 (15/70) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 9.314 13.938 -0.779) 16.782 2.123 ( -0.258 11.474 -0.241) 11.480 2.231 ( 9.686 11.254 2.702) 15.092 2.358 ( -2.485 1.699 3.572) 4.672 2.435 ( -6.568 4.311 -2.438) 8.226 2.490 ( 0.523 3.761 -2.324) 4.452 2.562 ( 0.490 4.489 -1.071) 4.641 2.594 ( 3.370 3.048 -1.231) 4.708 2.679 ( -3.254 2.064 -2.096) 4.387 2.738 ( -1.615 -3.471 0.322) 3.841 2.817 ( -3.297 -1.445 1.975) 4.106 2.845 ( -8.159 -3.135 3.072) 9.265 2.935 ( -4.783 2.207 1.316) 5.429 2.987 ( -1.927 -0.848 -0.077) 2.106 3.057 ( -1.946 2.165 -0.574) 2.967 3.100 ( -6.819 0.287 0.392) 6.837 3.179 ( 3.827 -2.991 -3.547) 6.015 3.282 ( -3.084 -0.135 1.238) 3.326 3.337 ( 1.313 -3.159 1.656) 3.801 3.383 ( -6.095 -5.884 0.893) 8.519 3.441 ( 4.780 -0.239 0.352) 4.798 3.563 ( -1.749 -0.884 0.838) 2.132 3.629 ( 0.831 -4.468 1.992) 4.962 3.671 ( 4.180 -4.377 0.215) 6.056 3.693 ( -6.764 -7.833 2.356) 10.614 3.784 ( -4.673 1.205 -2.628) 5.495 3.881 ( -2.344 -8.604 1.609) 9.061 3.953 ( 0.541 -2.061 -6.144) 6.503 3.994 ( 2.926 3.256 -1.258) 4.555 4.065 ( 0.948 -4.682 -5.142) 7.019 4.206 ( 0.055 -2.601 -1.856) 3.196 4.235 ( -1.846 -2.647 5.108) 6.042 4.309 ( -5.919 -3.237 3.568) 7.632 4.424 ( 5.927 -2.177 -5.879) 8.627 4.487 ( 7.169 -6.640 -1.186) 9.843 4.604 ( -5.393 -8.963 -2.700) 10.804 4.779 ( 6.439 -3.867 3.523) 8.295 4.864 ( 7.664 -5.325 0.804) 9.367 4.883 ( -1.092 -6.830 2.984) 7.533 5.069 ( 6.167 7.207 1.086) 9.548 5.119 ( 0.680 -4.898 1.027) 5.051 5.193 ( -1.945 -4.189 -8.196) 9.408 5.221 ( 2.826 -0.605 1.966) 3.495 5.281 ( -0.889 -1.059 -0.064) 1.384 5.368 ( -2.555 -3.712 5.133) 6.831 5.390 ( 1.019 6.020 -2.216) 6.495 5.493 ( 0.470 3.079 1.881) 3.638 5.571 ( 1.347 -4.701 1.085) 5.009 5.627 ( 7.362 -0.595 2.837) 7.912 5.670 ( -1.812 2.430 5.285) 6.093 5.757 ( -0.142 2.602 6.997) 7.467 5.826 ( 2.462 0.863 -2.849) 3.863 5.918 ( -6.983 -3.316 -6.473) 10.082 5.984 ( 10.845 -1.186 -1.089) 10.963 6.046 ( -5.217 -4.952 -0.972) 7.259 6.070 ( 7.364 -5.774 -2.321) 9.641 6.157 ( 4.034 0.711 2.491) 4.794 6.207 ( -2.776 4.266 1.204) 5.231 6.324 ( 6.507 -7.815 0.187) 10.171 6.413 ( -1.014 3.028 -5.067) 5.990 6.448 ( -3.483 4.551 -4.660) 7.387 6.471 ( -2.931 0.116 2.122) 3.621 6.599 ( -2.542 -6.861 2.995) 7.906 6.693 ( -6.427 -1.302 -5.226) 8.385 6.751 ( -6.377 5.372 -3.399) 9.004 6.862 ( -5.581 1.630 -3.136) 6.606 6.910 ( -2.790 -4.205 -3.360) 6.063 7.074 ( 0.897 -1.493 2.565) 3.101 7.123 ( -2.334 -0.053 -0.229) 2.346 7.190 ( 0.529 2.466 3.904) 4.648 7.215 ( 0.671 0.534 0.107) 0.864 7.344 ( -0.269 -7.020 1.165) 7.121 7.380 ( -3.176 -3.494 2.935) 5.560 7.424 ( 0.082 0.240 1.615) 1.634 7.485 ( 4.009 2.846 -2.115) 5.352 7.497 ( -4.370 -2.877 2.889) 5.976 7.629 ( 1.217 -4.232 -5.249) 6.851 7.689 ( 4.469 0.358 -3.774) 5.860 7.779 ( -0.350 -7.441 5.711) 9.386 7.832 ( -1.523 1.739 3.481) 4.179 7.962 ( -1.249 -4.564 -0.081) 4.733 8.039 ( 4.099 -1.104 6.629) 7.872 8.122 ( -0.148 0.359 4.856) 4.871 8.259 ( -1.162 -3.917 -4.819) 6.318 8.356 ( 2.686 2.700 0.400) 3.829 8.435 ( 2.564 -0.241 -0.392) 2.605 8.449 ( 0.887 -1.169 -5.642) 5.829 8.565 ( -1.444 1.445 -0.730) 2.169 8.642 ( -0.854 -1.453 -5.826) 6.065 8.783 ( -2.149 -0.303 -0.063) 2.172 8.881 ( -1.650 3.621 -3.959) 5.613 8.942 ( -1.280 -6.664 2.739) 7.318 8.946 ( -0.141 4.666 -2.165) 5.146 9.037 ( -0.147 5.206 0.684) 5.253 9.083 ( 5.492 6.847 2.778) 9.206 9.171 ( -4.735 -0.628 2.814) 5.544 9.331 ( 8.674 1.552 2.557) 9.175 9.423 ( -0.062 3.685 1.570) 4.006 9.453 ( 5.263 -0.839 3.548) 6.402 9.587 ( -1.076 1.880 0.959) 2.369 9.683 ( -4.456 -0.408 -2.837) 5.299 9.773 ( -0.323 -0.578 3.793) 3.850 9.818 ( -1.876 1.218 -2.824) 3.603 9.876 ( -4.236 -1.493 -0.012) 4.491 10.105 ( -2.319 6.643 1.574) 7.210 10.121 ( 1.171 10.642 -5.940) 12.243 10.247 ( 4.927 13.777 0.546) 14.641 10.284 ( -2.099 7.677 3.941) 8.881 10.452 ( 3.500 7.522 -0.934) 8.349 10.626 ( 4.842 10.748 -3.983) 12.443 10.673 ( 0.203 14.422 2.837) 14.700 10.744 ( -2.071 2.480 -1.228) 3.456 10.886 ( 4.607 1.320 0.245) 4.798 10.949 ( 4.190 -3.635 -2.745) 6.189 11.069 ( -1.031 5.631 0.764) 5.775 11.123 ( 0.497 1.271 -1.407) 1.960 11.174 ( -4.296 -2.640 -1.660) 5.309 11.276 ( -5.845 -2.039 3.100) 6.923 11.455 ( 6.445 0.470 0.526) 6.484 11.504 ( 1.606 -2.176 1.268) 2.988 11.617 ( -1.118 -2.203 -1.129) 2.716 11.652 ( -3.693 -4.822 3.369) 6.945 11.702 ( -0.892 -2.438 0.962) 2.769 11.790 ( 1.312 -2.270 -2.412) 3.563 11.899 ( 2.142 -6.628 -0.841) 7.016 12.085 ( 3.535 0.234 1.535) 3.861 12.258 ( -0.072 -2.103 1.039) 2.347 12.285 ( -0.355 -7.808 -0.580) 7.837 12.343 ( 1.923 -4.792 -2.539) 5.754 12.404 ( -3.125 -3.565 -0.357) 4.754 12.514 ( 0.123 -7.226 0.298) 7.233 12.648 ( -3.577 -3.789 -2.235) 5.670 13.391 ( 2.056 3.414 2.915) 4.937 13.486 ( -1.233 0.292 1.589) 2.032 13.617 ( -1.681 5.473 2.489) 6.243 13.707 ( -0.269 2.550 0.016) 2.565 13.821 ( -1.643 0.113 -3.907) 4.240 13.868 ( 1.167 0.640 0.951) 1.635 13.932 ( 0.394 2.931 2.175) 3.671 14.014 ( -0.602 1.867 2.069) 2.851 14.059 ( 0.937 3.818 0.450) 3.957 14.091 ( 2.092 2.932 1.170) 3.787 14.175 ( 0.567 7.007 -5.456) 8.899 14.233 ( 0.394 5.335 -3.523) 6.405 15.201 ( 2.075 -2.477 -0.102) 3.233 15.214 ( 1.502 -0.761 -0.400) 1.730 15.239 ( -0.375 -2.515 0.451) 2.582 15.316 ( 0.161 -3.063 -1.143) 3.273 15.565 ( -2.452 -1.006 -1.304) 2.954 15.618 ( -0.776 -0.400 2.462) 2.612 15.751 ( -2.455 -3.846 -1.733) 4.881 15.871 ( 0.048 -0.706 -5.546) 5.591 15.955 ( 0.228 -0.384 -1.366) 1.437 16.083 ( 2.759 -1.150 4.450) 5.360 16.194 ( 9.165 -3.373 1.120) 9.830 16.554 ( -8.016 -14.017 3.363) 16.494 18.325 ( -1.673 5.073 -1.104) 5.455 18.385 ( 0.383 1.644 0.876) 1.902 18.521 ( -4.093 -0.772 0.511) 4.197 18.632 ( -3.066 -2.050 -0.012) 3.688 18.656 ( -3.039 3.945 2.607) 5.621 18.802 ( 2.081 1.514 -1.478) 2.968 18.822 ( 3.877 3.696 -0.990) 5.447 18.877 ( -1.786 -0.321 3.389) 3.844 18.908 ( 1.745 -1.350 -3.083) 3.791 19.085 ( 0.488 -2.186 -0.991) 2.449 19.245 ( -0.629 0.432 -0.966) 1.231 19.304 ( 1.572 2.362 1.419) 3.172 21.382 ( -2.980 -2.588 -2.220) 4.528 21.445 ( 0.681 -3.131 3.384) 4.660 21.678 ( 1.620 2.412 0.298) 2.921 21.883 ( -2.686 -4.378 -1.798) 5.442 23.266 ( -3.745 0.685 -2.102) 4.349 23.384 ( -1.936 -0.546 1.420) 2.462 23.414 ( -1.901 0.041 0.203) 1.913 23.433 ( -1.852 -1.714 0.820) 2.654 23.724 ( 4.662 -1.459 -0.817) 4.953 23.768 ( 5.143 -0.450 0.658) 5.205 23.811 ( 0.182 -2.011 0.035) 2.019 23.869 ( 0.037 -3.776 0.179) 3.781 ======================= Grid point 24 (16/70) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( 0.000 7.822 0.000) 7.822 2.220 ( 0.000 8.854 0.000) 8.854 2.231 ( -0.000 8.931 -0.000) 8.931 2.338 ( 0.000 2.903 0.000) 2.903 2.370 ( 0.000 5.421 0.000) 5.421 2.524 ( 0.000 9.351 -0.000) 9.351 2.537 ( -0.000 3.090 0.000) 3.090 2.620 ( 0.000 1.363 0.000) 1.363 2.659 ( -0.000 1.496 0.000) 1.496 2.733 ( 0.000 1.955 0.000) 1.955 2.744 ( 0.000 7.101 0.000) 7.101 2.815 ( 0.000 -6.199 0.000) 6.199 2.920 ( -0.000 -0.934 -0.000) 0.934 2.934 ( 0.000 -5.480 0.000) 5.480 2.993 ( 0.000 1.714 0.000) 1.714 3.046 ( 0.000 5.944 0.000) 5.944 3.213 ( 0.000 -4.113 0.000) 4.113 3.234 ( 0.000 5.891 0.000) 5.891 3.323 ( 0.000 -8.618 0.000) 8.618 3.379 ( 0.000 -13.175 -0.000) 13.175 3.482 ( 0.000 0.872 -0.000) 0.872 3.557 ( 0.000 -0.902 0.000) 0.902 3.630 ( 0.000 -7.400 0.000) 7.400 3.678 ( 0.000 -3.951 0.000) 3.951 3.716 ( 0.000 -1.751 0.000) 1.751 3.776 ( 0.000 -7.148 0.000) 7.148 3.788 ( -0.000 -3.666 0.000) 3.666 3.968 ( -0.000 -11.323 -0.000) 11.323 3.992 ( 0.000 1.737 0.000) 1.737 4.034 ( 0.000 0.772 0.000) 0.772 4.171 ( 0.000 -1.324 -0.000) 1.324 4.259 ( 0.000 -8.043 -0.000) 8.043 4.301 ( 0.000 -0.270 0.000) 0.270 4.461 ( -0.000 -9.434 0.000) 9.434 4.497 ( 0.000 -6.929 0.000) 6.929 4.586 ( 0.000 -10.232 0.000) 10.232 4.878 ( 0.000 7.016 0.000) 7.016 4.935 ( 0.000 -3.730 0.000) 3.730 4.953 ( 0.000 -4.765 0.000) 4.765 5.078 ( 0.000 -6.400 0.000) 6.400 5.106 ( 0.000 9.164 0.000) 9.164 5.157 ( 0.000 3.763 0.000) 3.763 5.244 ( -0.000 -1.839 0.000) 1.839 5.311 ( 0.000 1.404 -0.000) 1.404 5.332 ( -0.000 -0.654 0.000) 0.654 5.425 ( 0.000 -0.859 0.000) 0.859 5.498 ( 0.000 -0.835 0.000) 0.835 5.523 ( 0.000 -5.632 0.000) 5.632 5.682 ( 0.000 -5.077 -0.000) 5.077 5.721 ( -0.000 2.610 0.000) 2.610 5.778 ( 0.000 2.533 0.000) 2.533 5.821 ( 0.000 -1.863 0.000) 1.863 5.895 ( 0.000 3.139 0.000) 3.139 5.901 ( -0.000 -4.591 0.000) 4.591 6.105 ( 0.000 -1.432 0.000) 1.432 6.141 ( 0.000 4.881 -0.000) 4.881 6.258 ( 0.000 2.186 0.000) 2.186 6.291 ( 0.000 -1.272 -0.000) 1.272 6.321 ( -0.000 -0.432 0.000) 0.432 6.364 ( 0.000 4.810 -0.000) 4.810 6.465 ( 0.000 2.517 -0.000) 2.517 6.481 ( -0.000 -1.184 0.000) 1.184 6.518 ( 0.000 -5.065 0.000) 5.065 6.566 ( -0.000 1.939 -0.000) 1.939 6.685 ( -0.000 -3.817 -0.000) 3.817 6.740 ( 0.000 -5.882 0.000) 5.882 6.816 ( 0.000 1.591 -0.000) 1.591 7.033 ( 0.000 -0.429 0.000) 0.429 7.176 ( 0.000 0.038 0.000) 0.038 7.190 ( -0.000 -1.721 -0.000) 1.721 7.246 ( -0.000 2.512 0.000) 2.512 7.334 ( -0.000 -0.345 -0.000) 0.345 7.351 ( 0.000 -4.768 0.000) 4.768 7.451 ( -0.000 -6.866 0.000) 6.866 7.504 ( 0.000 1.307 0.000) 1.307 7.535 ( -0.000 0.705 0.000) 0.705 7.568 ( -0.000 -3.575 -0.000) 3.575 7.771 ( -5.296 -4.883 -0.154) 7.205 7.771 ( 5.295 -1.609 0.154) 5.537 7.855 ( -0.000 -6.124 0.000) 6.124 7.951 ( 0.000 -4.490 0.000) 4.490 8.041 ( 0.000 -8.457 0.000) 8.457 8.207 ( 0.000 0.177 0.000) 0.177 8.298 ( 0.000 5.646 -0.000) 5.646 8.347 ( 0.000 4.000 0.000) 4.000 8.421 ( 0.000 -0.730 0.000) 0.730 8.428 ( 0.000 -0.276 0.000) 0.276 8.577 ( 0.000 4.254 0.000) 4.254 8.584 ( -0.000 -6.279 -0.000) 6.279 8.718 ( -0.000 5.903 0.000) 5.903 8.752 ( 0.000 0.008 0.000) 0.008 8.919 ( 0.000 -1.904 0.000) 1.904 9.023 ( 0.000 1.242 0.000) 1.242 9.068 ( 0.000 0.028 0.000) 0.028 9.158 ( 0.000 2.067 -0.000) 2.067 9.186 ( 0.000 8.047 0.000) 8.047 9.428 ( -0.000 5.430 0.000) 5.430 9.465 ( 0.000 -5.775 0.000) 5.775 9.514 ( -0.000 2.794 0.000) 2.794 9.576 ( 0.000 -3.179 0.000) 3.179 9.653 ( 0.000 -1.990 0.000) 1.990 9.690 ( 0.000 -3.716 0.000) 3.716 9.807 ( 0.000 -0.747 0.000) 0.747 9.842 ( 0.000 1.713 0.000) 1.713 10.088 ( 0.000 10.137 -0.000) 10.137 10.093 ( 0.000 9.257 0.000) 9.257 10.281 ( 0.000 10.663 0.000) 10.663 10.298 ( 0.000 14.009 0.000) 14.009 10.501 ( -0.000 11.348 0.000) 11.348 10.636 ( 0.000 7.525 0.000) 7.525 10.694 ( 0.000 0.260 0.000) 0.260 10.716 ( 0.000 17.633 0.000) 17.633 10.927 ( 0.000 5.122 0.000) 5.122 11.015 ( 0.000 -3.462 0.000) 3.462 11.062 ( -0.000 -6.778 -0.000) 6.778 11.068 ( 0.000 5.976 0.000) 5.976 11.142 ( 0.000 0.780 -0.000) 0.780 11.230 ( 0.000 -0.521 0.000) 0.521 11.489 ( -0.000 -7.886 0.000) 7.886 11.593 ( 0.000 -3.219 -0.000) 3.219 11.594 ( -0.000 3.601 0.000) 3.601 11.643 ( 0.000 -4.036 -0.000) 4.036 11.652 ( 0.000 7.573 0.000) 7.573 11.797 ( 0.000 -6.023 0.000) 6.023 11.913 ( -0.000 -7.376 0.000) 7.376 12.136 ( 0.000 -2.231 0.000) 2.231 12.232 ( 0.000 -11.582 0.000) 11.582 12.288 ( 0.000 -0.990 0.000) 0.990 12.371 ( 0.000 -6.306 0.000) 6.306 12.390 ( 0.000 -3.015 0.000) 3.015 12.481 ( 0.000 -3.425 0.000) 3.425 12.610 ( 0.000 -3.139 0.000) 3.139 13.451 ( 0.000 1.775 0.000) 1.775 13.466 ( -0.000 1.120 -0.000) 1.120 13.643 ( 0.000 7.040 0.000) 7.040 13.673 ( -0.000 2.533 -0.000) 2.533 13.777 ( 0.000 0.223 -0.000) 0.223 13.872 ( 0.000 -0.101 0.000) 0.101 13.979 ( 0.000 1.370 0.000) 1.370 14.013 ( 0.000 -0.418 0.000) 0.418 14.084 ( 0.000 6.543 -0.000) 6.543 14.121 ( 0.000 7.433 0.000) 7.433 14.167 ( -0.000 5.360 -0.000) 5.360 14.173 ( 0.000 4.150 0.000) 4.150 15.223 ( 0.000 -3.114 -0.000) 3.114 15.226 ( -0.000 -1.966 0.000) 1.966 15.251 ( -0.000 -3.025 -0.000) 3.025 15.289 ( 0.000 -3.692 0.000) 3.692 15.534 ( 0.000 -1.277 0.000) 1.277 15.643 ( 0.000 -3.627 -0.000) 3.627 15.686 ( 0.000 -1.275 0.000) 1.275 15.811 ( 0.000 -3.756 0.000) 3.756 15.986 ( 0.000 2.903 0.000) 2.903 16.137 ( 0.000 -2.162 0.000) 2.162 16.393 ( 0.000 -5.606 -0.000) 5.606 16.404 ( -0.000 -5.766 0.000) 5.766 18.294 ( 0.000 5.084 0.000) 5.084 18.453 ( 0.000 -0.080 0.000) 0.080 18.469 ( -0.000 -3.777 0.000) 3.777 18.562 ( 0.000 -0.433 0.000) 0.433 18.660 ( 0.000 1.934 0.000) 1.934 18.797 ( 0.000 2.618 0.000) 2.618 18.853 ( 0.000 1.623 0.000) 1.623 18.873 ( 0.000 0.888 0.000) 0.888 18.924 ( 0.000 0.982 0.000) 0.982 19.081 ( 0.000 -1.984 0.000) 1.984 19.234 ( 0.000 -0.072 0.000) 0.072 19.328 ( 0.000 2.288 0.000) 2.288 21.337 ( 0.000 -1.708 -0.000) 1.708 21.458 ( 0.000 -2.383 0.000) 2.383 21.743 ( 0.000 0.203 0.000) 0.203 21.812 ( -0.000 -3.857 0.000) 3.857 23.218 ( 0.000 0.907 0.000) 0.907 23.367 ( 0.000 -2.484 0.000) 2.484 23.409 ( 0.000 0.822 0.000) 0.822 23.421 ( 0.000 -1.812 0.000) 1.812 23.782 ( 0.000 -1.454 0.000) 1.454 23.783 ( -0.000 -0.982 0.000) 0.982 23.836 ( -0.000 -1.530 0.000) 1.530 23.859 ( 0.000 -2.664 0.000) 2.664 ======================= Grid point 28 (17/70) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( 0.000 11.470 0.000) 11.470 2.294 ( 0.000 -6.209 0.000) 6.209 2.330 ( 0.000 14.515 0.000) 14.515 2.463 ( 0.000 1.183 0.000) 1.183 2.483 ( 0.000 12.134 0.000) 12.134 2.525 ( 0.000 -3.564 0.000) 3.564 2.563 ( 0.000 -2.245 0.000) 2.245 2.695 ( 0.000 -0.218 0.000) 0.218 2.706 ( 0.000 -6.035 0.000) 6.035 2.792 ( 0.000 -9.270 0.000) 9.270 2.808 ( 0.000 -2.559 0.000) 2.559 2.850 ( 0.000 -6.492 0.000) 6.492 2.870 ( 0.000 13.619 0.000) 13.619 3.113 ( 0.000 -8.429 0.000) 8.429 3.115 ( 0.000 8.434 0.000) 8.434 3.177 ( 0.000 4.774 0.000) 4.774 3.206 ( 0.000 5.735 0.000) 5.735 3.237 ( 0.000 -3.029 0.000) 3.029 3.358 ( 0.000 -4.518 0.000) 4.518 3.396 ( 0.000 -10.505 0.000) 10.505 3.443 ( 0.000 3.772 0.000) 3.772 3.467 ( 0.000 -0.848 0.000) 0.848 3.583 ( 0.000 2.232 0.000) 2.232 3.646 ( 0.000 -7.596 0.000) 7.596 3.755 ( 0.000 3.911 0.000) 3.911 3.779 ( 0.000 0.423 0.000) 0.423 3.880 ( 0.000 1.960 0.000) 1.960 4.012 ( 0.000 -6.172 0.000) 6.172 4.054 ( 0.000 -2.997 0.000) 2.997 4.141 ( 0.000 2.581 0.000) 2.581 4.168 ( 0.000 -12.162 0.000) 12.162 4.198 ( 0.000 3.811 0.000) 3.811 4.205 ( 0.000 -1.817 0.000) 1.817 4.247 ( 0.000 -6.870 0.000) 6.870 4.533 ( 0.000 5.702 0.000) 5.702 4.570 ( 0.000 2.709 0.000) 2.709 4.631 ( 0.000 -3.490 0.000) 3.490 4.743 ( 0.000 -12.794 0.000) 12.794 4.825 ( 0.000 12.322 0.000) 12.322 4.969 ( 0.000 1.221 0.000) 1.221 5.010 ( 0.000 3.437 0.000) 3.437 5.028 ( 0.000 0.370 0.000) 0.370 5.193 ( 0.000 -1.850 0.000) 1.850 5.204 ( 0.000 -1.651 0.000) 1.651 5.309 ( 0.000 -0.520 0.000) 0.520 5.349 ( 0.000 -3.451 0.000) 3.451 5.465 ( 0.000 3.808 0.000) 3.808 5.474 ( 0.000 -0.602 0.000) 0.602 5.519 ( 0.000 -3.185 0.000) 3.185 5.645 ( 0.000 -5.715 0.000) 5.715 5.683 ( 0.000 0.365 0.000) 0.365 5.690 ( 0.000 -0.249 0.000) 0.249 5.822 ( 0.000 -1.887 0.000) 1.887 5.889 ( 0.000 -4.993 0.000) 4.993 5.980 ( 0.000 7.843 0.000) 7.843 6.110 ( 0.000 -4.561 0.000) 4.561 6.210 ( 0.000 0.382 0.000) 0.382 6.238 ( 0.000 -2.183 0.000) 2.183 6.287 ( 0.000 2.411 0.000) 2.411 6.341 ( 0.000 -0.943 0.000) 0.943 6.539 ( 0.000 -1.561 0.000) 1.561 6.553 ( 0.000 -2.941 0.000) 2.941 6.742 ( 0.000 4.018 0.000) 4.018 6.771 ( 0.000 0.983 0.000) 0.983 6.786 ( 0.000 -0.278 0.000) 0.278 6.808 ( 0.000 -2.718 0.000) 2.718 6.896 ( 0.000 -1.482 0.000) 1.482 6.919 ( 0.000 -2.765 0.000) 2.765 7.102 ( 0.000 -1.189 0.000) 1.189 7.124 ( 0.000 -1.783 0.000) 1.783 7.278 ( 0.000 4.557 0.000) 4.557 7.359 ( 0.000 -3.438 0.000) 3.438 7.387 ( 0.000 6.727 0.000) 6.727 7.477 ( 0.000 -0.137 0.000) 0.137 7.529 ( 0.000 1.460 0.000) 1.460 7.581 ( 0.000 -4.006 0.000) 4.006 7.639 ( 0.000 -3.550 0.000) 3.550 7.653 ( 0.000 -4.039 0.000) 4.039 7.792 ( 0.000 1.435 0.000) 1.435 7.820 ( 0.000 -3.788 0.000) 3.788 7.951 ( 0.000 6.154 0.000) 6.154 8.030 ( 0.000 -0.199 0.000) 0.199 8.188 ( 0.000 1.349 0.000) 1.349 8.214 ( 0.000 -0.798 0.000) 0.798 8.279 ( 0.000 8.990 0.000) 8.990 8.378 ( 0.000 -3.024 0.000) 3.024 8.504 ( 0.000 -0.701 0.000) 0.701 8.543 ( 0.000 -1.735 0.000) 1.735 8.672 ( 0.000 3.961 0.000) 3.961 8.706 ( 0.000 1.980 0.000) 1.980 8.800 ( 0.000 -5.954 0.000) 5.954 8.825 ( 0.000 -6.437 0.000) 6.437 9.020 ( 0.000 -0.932 0.000) 0.932 9.071 ( 0.000 -3.411 0.000) 3.411 9.185 ( 0.000 6.917 0.000) 6.917 9.233 ( 0.000 0.862 0.000) 0.862 9.316 ( 0.000 2.419 0.000) 2.419 9.389 ( 0.000 -2.382 0.000) 2.382 9.719 ( 0.000 5.318 0.000) 5.318 9.758 ( 0.000 9.965 0.000) 9.965 9.786 ( 0.000 1.958 0.000) 1.958 9.851 ( 0.000 -2.480 0.000) 2.480 9.863 ( 0.000 5.600 0.000) 5.600 9.966 ( 0.000 0.352 0.000) 0.352 10.096 ( 0.000 0.675 0.000) 0.675 10.161 ( 0.000 -2.592 0.000) 2.592 10.235 ( 0.000 4.557 0.000) 4.557 10.339 ( 0.000 -0.579 0.000) 0.579 10.373 ( 0.000 1.496 0.000) 1.496 10.474 ( 0.000 -9.604 0.000) 9.604 10.707 ( 0.000 3.945 0.000) 3.945 10.819 ( 0.000 -5.657 0.000) 5.657 11.003 ( 0.000 8.758 0.000) 8.758 11.025 ( 0.000 13.246 0.000) 13.246 11.142 ( 0.000 -5.343 0.000) 5.343 11.167 ( 0.000 -1.750 0.000) 1.750 11.197 ( 0.000 10.636 0.000) 10.636 11.320 ( 0.000 2.259 0.000) 2.259 11.379 ( 0.000 -4.915 0.000) 4.915 11.435 ( 0.000 -10.654 0.000) 10.654 11.438 ( 0.000 4.444 0.000) 4.444 11.568 ( 0.000 -8.207 0.000) 8.207 11.689 ( 0.000 4.876 0.000) 4.876 11.769 ( 0.000 -4.020 0.000) 4.020 11.941 ( 0.000 8.465 0.000) 8.465 12.119 ( 0.000 8.715 0.000) 8.715 12.147 ( 0.000 -6.784 0.000) 6.784 12.239 ( 0.000 -8.952 0.000) 8.952 12.280 ( 0.000 1.530 0.000) 1.530 12.353 ( 0.000 -4.359 0.000) 4.359 12.424 ( 0.000 3.535 0.000) 3.535 12.591 ( 0.000 -10.836 0.000) 10.836 13.405 ( 0.000 4.974 0.000) 4.974 13.489 ( 0.000 -2.748 0.000) 2.748 13.645 ( 0.000 2.094 0.000) 2.094 13.680 ( 0.000 -1.321 0.000) 1.321 13.863 ( 0.000 1.728 0.000) 1.728 13.895 ( 0.000 -1.731 0.000) 1.731 14.009 ( 0.000 1.866 0.000) 1.866 14.038 ( 0.000 -1.031 0.000) 1.031 14.076 ( 0.000 2.145 0.000) 2.145 14.088 ( 0.000 1.142 0.000) 1.142 14.273 ( 0.000 1.838 0.000) 1.838 14.282 ( 0.000 1.078 0.000) 1.078 15.141 ( 0.000 1.469 0.000) 1.469 15.180 ( 0.000 -2.142 0.000) 2.142 15.271 ( 0.000 1.562 0.000) 1.562 15.288 ( 0.000 0.167 0.000) 0.167 15.657 ( 0.000 0.138 0.000) 0.138 15.667 ( 0.000 -0.460 0.000) 0.460 15.795 ( 0.000 3.938 0.000) 3.938 15.801 ( 0.000 1.730 0.000) 1.730 15.959 ( 0.000 -0.421 0.000) 0.421 15.973 ( 0.000 7.674 0.000) 7.674 16.102 ( 0.000 -10.954 0.000) 10.954 16.206 ( 0.000 -14.371 0.000) 14.371 18.570 ( 0.000 4.906 0.000) 4.906 18.607 ( 0.000 0.892 0.000) 0.892 18.640 ( 0.000 0.402 0.000) 0.402 18.664 ( 0.000 -1.246 0.000) 1.246 18.699 ( 0.000 5.308 0.000) 5.308 18.737 ( 0.000 3.604 0.000) 3.604 18.819 ( 0.000 0.550 0.000) 0.550 18.829 ( 0.000 -1.144 0.000) 1.144 18.880 ( 0.000 -2.224 0.000) 2.224 18.941 ( 0.000 -5.567 0.000) 5.567 19.277 ( 0.000 1.773 0.000) 1.773 19.299 ( 0.000 -0.219 0.000) 0.219 21.317 ( 0.000 3.023 0.000) 3.023 21.403 ( 0.000 -5.105 0.000) 5.105 21.812 ( 0.000 0.036 0.000) 0.036 21.822 ( 0.000 -1.233 0.000) 1.233 23.458 ( 0.000 2.338 0.000) 2.338 23.486 ( 0.000 1.759 0.000) 1.759 23.509 ( 0.000 -1.893 0.000) 1.893 23.522 ( 0.000 -3.185 0.000) 3.185 23.567 ( 0.000 5.387 0.000) 5.387 23.580 ( 0.000 4.062 0.000) 4.062 23.672 ( 0.000 -4.623 0.000) 4.623 23.708 ( 0.000 -7.502 0.000) 7.502 ======================= Grid point 29 (18/70) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 2.231 8.308 0.040) 8.602 2.288 ( -1.886 -5.602 1.392) 6.073 2.356 ( -0.355 11.817 3.942) 12.462 2.401 ( -2.647 7.995 0.365) 8.430 2.515 ( 2.900 -1.725 -4.557) 5.671 2.555 ( -1.389 -2.225 1.054) 2.827 2.575 ( 3.690 0.786 -1.189) 3.955 2.616 ( -0.745 4.880 -1.364) 5.121 2.665 ( -3.263 -5.373 1.478) 6.458 2.778 ( -2.899 -2.947 2.256) 4.709 2.858 ( -0.510 3.375 0.235) 3.421 2.867 ( -1.618 3.399 0.872) 3.864 2.941 ( 5.245 -7.073 0.171) 8.807 3.003 ( -1.871 -2.930 -1.477) 3.778 3.097 ( -2.285 4.189 -1.288) 4.943 3.172 ( -6.994 0.664 -0.940) 7.087 3.184 ( -0.331 0.449 0.320) 0.643 3.239 ( -1.340 5.443 1.315) 5.758 3.295 ( -6.152 -11.304 0.121) 12.870 3.390 ( -1.265 -4.522 -0.069) 4.696 3.429 ( 0.383 4.198 0.426) 4.237 3.514 ( 1.094 -4.235 3.872) 5.841 3.570 ( -4.643 -2.380 2.991) 6.014 3.607 ( -0.478 0.224 6.309) 6.331 3.736 ( -3.970 6.769 -2.917) 8.372 3.822 ( -4.688 -1.132 0.542) 4.853 3.883 ( -0.882 -1.687 1.506) 2.427 3.892 ( 4.875 -4.375 -2.900) 7.163 4.024 ( -5.769 -1.071 -2.721) 6.467 4.122 ( -2.854 0.127 2.817) 4.012 4.137 ( -3.290 -6.948 4.475) 8.895 4.172 ( -2.641 -4.447 -4.140) 6.624 4.293 ( 5.745 1.274 -5.342) 7.948 4.361 ( 7.569 -3.450 -2.648) 8.729 4.443 ( 5.487 2.386 -7.080) 9.269 4.551 ( -1.956 -6.541 -7.999) 10.517 4.605 ( -8.190 3.396 4.769) 10.067 4.704 ( -0.279 -5.165 6.676) 8.446 4.811 ( 0.516 8.562 -1.612) 8.727 4.959 ( -1.668 -5.307 7.380) 9.242 5.025 ( 3.257 -1.037 -5.202) 6.224 5.055 ( 4.794 -3.894 0.001) 6.176 5.253 ( 1.594 2.306 1.895) 3.383 5.288 ( 2.817 -1.742 1.003) 3.461 5.373 ( 2.747 4.433 -0.558) 5.245 5.400 ( 2.110 2.217 -0.717) 3.144 5.450 ( 7.437 4.276 -1.782) 8.762 5.521 ( 4.989 -2.400 2.409) 6.038 5.592 ( 11.406 0.784 2.655) 11.737 5.623 ( -1.162 0.956 -4.598) 4.838 5.686 ( 0.894 -2.072 -1.750) 2.856 5.754 ( 3.720 -7.320 4.346) 9.290 5.864 ( 3.015 -0.152 1.044) 3.194 5.898 ( -0.320 0.852 -1.054) 1.393 5.981 ( 0.057 -1.061 -8.234) 8.302 6.027 ( -1.909 -2.878 -8.595) 9.263 6.080 ( 0.717 0.759 -0.333) 1.096 6.133 ( 0.779 -3.935 1.784) 4.390 6.425 ( -1.924 3.596 1.173) 4.244 6.462 ( -1.059 0.201 4.150) 4.288 6.476 ( -3.124 -0.770 1.904) 3.739 6.513 ( -2.400 -3.602 -1.554) 4.599 6.682 ( -4.811 4.813 -1.867) 7.057 6.750 ( -0.820 -1.223 -3.960) 4.225 6.876 ( 1.739 0.856 7.173) 7.430 6.902 ( 3.140 -2.265 6.608) 7.659 6.919 ( 1.907 0.575 1.248) 2.350 6.957 ( 3.174 -3.013 5.545) 7.064 7.083 ( -1.843 2.491 0.938) 3.237 7.179 ( -0.962 -6.053 2.007) 6.449 7.247 ( -1.299 2.797 -0.457) 3.117 7.298 ( -3.496 -1.640 -5.928) 7.075 7.374 ( 0.722 5.572 -2.201) 6.034 7.447 ( -4.493 0.459 1.738) 4.839 7.485 ( -0.977 1.543 -1.178) 2.173 7.560 ( -0.515 -5.124 -2.083) 5.555 7.579 ( -3.030 -4.840 -3.043) 6.471 7.586 ( -3.313 -5.606 -0.362) 6.522 7.745 ( -1.025 3.408 -3.196) 4.783 7.802 ( 0.352 -3.925 -2.666) 4.758 7.981 ( -1.592 4.905 6.540) 8.328 8.035 ( -2.015 2.676 1.315) 3.598 8.151 ( -5.533 3.141 4.310) 7.685 8.242 ( 2.303 -2.444 1.793) 3.807 8.301 ( 2.717 2.168 -4.573) 5.744 8.396 ( 1.554 -4.004 -3.666) 5.646 8.503 ( 2.320 5.401 -1.596) 6.091 8.642 ( 4.358 -4.393 0.928) 6.257 8.683 ( -3.764 1.356 2.305) 4.617 8.719 ( 0.948 1.923 2.287) 3.135 8.779 ( -3.269 -3.297 -0.001) 4.643 8.837 ( 1.641 -5.123 5.063) 7.388 8.979 ( -0.096 0.938 0.256) 0.977 9.066 ( -0.295 -6.259 2.071) 6.600 9.126 ( -2.359 8.386 1.856) 8.907 9.252 ( 0.422 -4.264 0.477) 4.311 9.354 ( 0.842 7.844 -1.704) 8.071 9.454 ( -1.481 -0.502 2.791) 3.199 9.571 ( -2.538 6.932 -8.554) 11.299 9.626 ( -1.904 2.087 -4.522) 5.332 9.732 ( -2.786 1.156 -2.468) 3.897 9.815 ( -1.212 -6.145 -3.052) 6.968 9.902 ( -2.890 3.481 -1.289) 4.705 9.916 ( -3.047 1.644 -1.452) 3.754 10.165 ( 0.653 2.577 6.470) 6.995 10.203 ( 1.021 -0.924 7.639) 7.762 10.336 ( 6.569 6.699 -1.086) 9.445 10.381 ( 3.995 2.586 -3.773) 6.073 10.491 ( 10.644 4.561 4.019) 12.258 10.593 ( 10.469 -7.043 2.525) 12.868 10.688 ( 1.937 1.074 -3.021) 3.746 10.768 ( -0.643 -3.549 -3.312) 4.897 10.983 ( -0.711 11.519 -2.555) 11.821 11.026 ( -2.232 5.802 -3.573) 7.171 11.105 ( 0.178 0.652 1.041) 1.241 11.173 ( -0.257 -2.647 3.198) 4.159 11.242 ( 0.266 2.640 1.782) 3.196 11.297 ( -2.410 2.460 -2.380) 4.186 11.371 ( -0.082 -3.860 0.609) 3.909 11.416 ( -3.599 -0.758 3.959) 5.404 11.465 ( 1.886 -3.207 0.245) 3.728 11.555 ( -2.448 -6.944 1.520) 7.518 11.715 ( 1.880 2.231 0.088) 2.919 11.759 ( -0.433 -2.906 -0.641) 3.007 11.938 ( -0.118 7.394 -0.620) 7.420 12.125 ( 3.417 7.311 -2.201) 8.365 12.144 ( -2.472 -9.090 -0.040) 9.420 12.223 ( -0.257 -1.848 0.436) 1.916 12.272 ( 0.776 -1.001 -1.958) 2.332 12.356 ( 1.294 -5.427 -1.247) 5.717 12.445 ( 0.169 3.388 1.642) 3.769 12.577 ( -0.442 -8.844 -1.513) 8.984 13.420 ( 0.213 4.004 1.936) 4.452 13.482 ( -1.340 -1.804 1.263) 2.578 13.669 ( 0.730 1.597 1.847) 2.548 13.695 ( 0.775 -0.675 1.620) 1.918 13.855 ( -0.499 1.044 -0.282) 1.191 13.874 ( -2.102 -0.932 0.123) 2.303 13.993 ( -1.120 1.490 -0.699) 1.991 14.016 ( -1.108 -0.762 -0.290) 1.376 14.091 ( 1.345 1.576 -0.063) 2.073 14.097 ( 0.998 1.168 0.367) 1.580 14.288 ( 2.476 2.178 -2.546) 4.166 14.298 ( 2.340 1.163 -1.687) 3.110 15.153 ( 0.410 0.844 1.228) 1.545 15.184 ( -0.219 -1.995 0.934) 2.214 15.255 ( -1.021 1.894 -0.945) 2.350 15.287 ( -0.232 -1.054 -0.484) 1.183 15.628 ( -3.533 0.866 1.176) 3.823 15.649 ( -3.545 -0.352 1.897) 4.036 15.774 ( -1.805 2.990 -1.229) 3.703 15.846 ( -0.136 -1.185 3.622) 3.813 15.967 ( 1.676 0.977 -0.486) 2.000 16.025 ( 5.233 -0.798 -3.166) 6.168 16.047 ( 2.986 0.342 -4.036) 5.032 16.243 ( 2.935 -13.876 0.869) 14.209 18.479 ( -6.280 5.113 -0.087) 8.099 18.549 ( -4.929 1.634 -1.483) 5.401 18.576 ( -6.694 0.176 1.350) 6.832 18.632 ( -2.701 -1.789 0.637) 3.302 18.757 ( -0.489 1.419 -0.256) 1.522 18.774 ( 0.867 2.103 1.175) 2.560 18.814 ( 1.903 0.695 2.818) 3.470 18.844 ( 1.901 -3.504 -0.735) 4.053 18.891 ( 3.425 3.777 -1.888) 5.437 18.994 ( 4.356 -4.633 -1.129) 6.459 19.294 ( 1.299 1.063 0.491) 1.749 19.295 ( 0.310 0.831 -1.134) 1.440 21.337 ( 0.066 0.795 3.098) 3.200 21.385 ( -2.062 -3.662 0.248) 4.210 21.770 ( -1.814 2.463 -1.928) 3.615 21.829 ( -0.282 -3.428 -0.615) 3.494 23.398 ( -5.539 1.701 -1.206) 5.919 23.425 ( -5.039 -0.465 0.753) 5.117 23.455 ( -3.316 0.351 0.387) 3.357 23.466 ( -3.723 -0.220 0.225) 3.736 23.638 ( 5.203 2.410 0.025) 5.734 23.672 ( 6.336 1.819 0.066) 6.593 23.724 ( 4.302 -3.171 -0.319) 5.354 23.737 ( 2.591 -6.104 0.498) 6.650 ======================= Grid point 30 (19/70) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 0.931 2.512 -0.790) 2.793 2.258 ( -2.022 -5.246 -0.372) 5.634 2.355 ( -0.732 8.982 1.222) 9.094 2.444 ( 1.101 6.505 3.157) 7.314 2.483 ( 0.697 2.492 -2.562) 3.641 2.540 ( -1.402 1.709 1.619) 2.740 2.565 ( -1.568 -2.057 -0.099) 2.589 2.642 ( 2.043 -0.025 -1.030) 2.288 2.680 ( -0.454 -1.819 2.358) 3.013 2.777 ( 2.284 -0.249 -1.305) 2.643 2.816 ( -3.336 4.522 2.648) 6.212 2.834 ( 1.770 1.808 -2.593) 3.623 2.940 ( 0.244 -3.779 -2.523) 4.550 2.998 ( -6.041 1.310 -0.555) 6.207 3.041 ( -0.708 -0.111 -1.164) 1.367 3.085 ( -2.447 0.297 1.124) 2.709 3.139 ( -3.141 -7.264 -2.289) 8.238 3.195 ( -7.261 -8.951 2.370) 11.767 3.229 ( -0.763 6.301 -0.308) 6.355 3.351 ( -1.848 -5.184 3.838) 6.710 3.468 ( 0.138 6.495 2.547) 6.978 3.546 ( -0.565 0.200 -0.046) 0.601 3.582 ( 0.989 -4.117 3.016) 5.199 3.615 ( -3.625 2.527 -2.519) 5.087 3.665 ( -3.189 1.876 4.348) 5.709 3.717 ( -6.297 -3.797 -0.340) 7.361 3.829 ( -1.903 0.076 -0.537) 1.979 3.892 ( -4.996 -1.989 -1.289) 5.530 4.002 ( 7.791 -1.114 -5.442) 9.569 4.092 ( 0.479 -6.480 -1.433) 6.654 4.096 ( -3.669 3.745 1.805) 5.545 4.180 ( -0.794 -3.998 1.381) 4.303 4.277 ( 0.739 0.279 -1.068) 1.328 4.344 ( -1.686 -4.263 -7.967) 9.192 4.382 ( 0.710 -2.231 -4.026) 4.657 4.411 ( -3.520 -6.216 -2.462) 7.555 4.715 ( 7.658 -2.132 3.356) 8.629 4.751 ( 2.451 -4.595 5.059) 7.261 4.913 ( 4.033 5.325 5.741) 8.808 5.023 ( 1.980 -5.603 1.636) 6.164 5.120 ( 4.911 1.416 4.713) 6.952 5.176 ( 4.342 -3.291 2.841) 6.144 5.248 ( 2.893 4.942 -6.847) 8.926 5.300 ( 4.126 1.775 -4.455) 6.327 5.370 ( 0.212 4.886 1.902) 5.248 5.469 ( -2.263 0.296 -5.024) 5.518 5.503 ( 1.346 -3.957 2.869) 5.069 5.541 ( -0.785 0.265 -0.445) 0.941 5.607 ( -1.043 3.269 -3.869) 5.172 5.697 ( 1.139 -0.943 0.909) 1.736 5.747 ( -1.156 -1.326 4.205) 4.558 5.804 ( -3.051 -4.517 6.352) 8.370 5.893 ( 2.930 1.149 -5.342) 6.201 5.945 ( 5.032 -3.208 -6.530) 8.846 6.009 ( 7.539 1.465 1.771) 7.882 6.023 ( 13.557 0.498 1.457) 13.644 6.174 ( 5.330 1.215 5.050) 7.442 6.214 ( 7.130 -2.563 2.654) 8.028 6.342 ( -3.436 7.231 -1.307) 8.111 6.424 ( -3.743 1.039 2.395) 4.563 6.466 ( 0.407 -4.985 -2.881) 5.772 6.490 ( -3.030 -2.441 4.684) 6.089 6.560 ( -3.253 5.485 -5.784) 8.610 6.651 ( -3.956 -3.251 -6.637) 8.382 6.824 ( -6.457 1.295 -6.036) 8.933 6.856 ( -7.180 -0.151 -5.736) 9.191 6.947 ( -3.619 5.748 -4.669) 8.242 7.066 ( 1.047 -0.380 3.957) 4.111 7.077 ( -3.268 -3.616 1.139) 5.005 7.136 ( -0.208 -4.721 7.670) 9.009 7.238 ( -0.222 -0.641 -1.186) 1.366 7.249 ( 0.269 -0.393 1.898) 1.957 7.370 ( -4.483 3.047 3.994) 6.733 7.413 ( -5.449 0.970 4.269) 6.990 7.471 ( -3.291 -1.603 5.063) 6.248 7.519 ( 2.994 -7.975 -2.532) 8.887 7.562 ( 4.976 2.166 -3.541) 6.480 7.608 ( 3.695 -3.329 -0.404) 4.990 7.715 ( 0.441 2.628 -0.367) 2.689 7.802 ( 3.123 -5.536 -1.799) 6.606 7.936 ( -6.134 2.463 -2.441) 7.046 7.992 ( -6.734 -3.235 0.527) 7.490 8.173 ( 1.585 4.554 5.671) 7.444 8.239 ( 0.444 -0.522 -3.899) 3.959 8.356 ( 4.005 -0.518 5.335) 6.692 8.401 ( 3.251 -3.236 4.907) 6.717 8.489 ( 0.237 4.887 -3.246) 5.871 8.586 ( -1.441 -3.742 -7.644) 8.632 8.620 ( -5.981 3.369 -3.041) 7.508 8.726 ( -4.716 -5.871 -2.529) 7.944 8.826 ( 1.161 -0.212 8.583) 8.663 8.874 ( 0.795 -2.567 3.608) 4.499 9.045 ( 2.196 2.689 -2.546) 4.305 9.095 ( -0.846 -1.968 -0.709) 2.256 9.191 ( 2.170 7.521 8.001) 11.194 9.283 ( 2.222 5.323 -1.492) 5.958 9.312 ( -2.527 -1.668 8.553) 9.073 9.383 ( 3.463 -1.123 -5.283) 6.416 9.551 ( 2.993 3.396 -3.538) 5.745 9.613 ( -0.085 -1.098 -1.247) 1.664 9.681 ( -2.060 -0.240 -2.150) 2.987 9.716 ( -6.052 -4.455 -2.485) 7.915 9.805 ( -1.850 2.750 -1.785) 3.765 9.864 ( -2.211 -1.583 -1.327) 3.026 10.227 ( -0.485 5.393 4.293) 6.910 10.278 ( 1.859 2.424 0.681) 3.130 10.388 ( 0.110 3.533 -0.535) 3.575 10.424 ( 4.187 2.345 -1.556) 5.045 10.637 ( 5.820 8.228 -3.244) 10.588 10.732 ( 6.297 6.353 2.828) 9.382 10.772 ( 3.116 -4.408 0.803) 5.458 10.864 ( 9.200 -1.156 0.566) 9.290 10.906 ( -1.428 3.406 -2.947) 4.725 10.953 ( -0.788 3.036 -1.159) 3.344 11.122 ( -0.854 2.937 -1.226) 3.295 11.173 ( -1.614 1.747 0.349) 2.403 11.204 ( -2.782 4.156 -0.719) 5.052 11.269 ( -0.547 0.679 0.523) 1.017 11.347 ( -3.507 -3.434 1.012) 5.011 11.444 ( 2.827 -8.378 0.425) 8.852 11.486 ( -0.932 -3.435 2.241) 4.206 11.527 ( -4.117 -4.990 3.593) 7.400 11.740 ( 1.558 0.678 -0.868) 1.908 11.755 ( 0.575 -0.437 0.327) 0.793 11.926 ( 0.834 5.528 -1.677) 5.836 12.066 ( -4.661 -8.190 -1.022) 9.479 12.179 ( 3.219 5.896 -1.349) 6.852 12.245 ( 1.782 2.135 1.259) 3.053 12.273 ( 0.723 -3.490 -0.367) 3.583 12.373 ( 2.774 -7.721 -2.138) 8.479 12.444 ( -1.145 4.692 -0.136) 4.831 12.549 ( -1.452 -5.436 -0.342) 5.637 13.449 ( 0.333 2.149 2.126) 3.041 13.479 ( -0.818 -0.892 1.293) 1.771 13.695 ( -0.423 2.518 2.505) 3.577 13.728 ( 0.592 -0.569 0.852) 1.183 13.827 ( -1.022 1.105 -2.435) 2.863 13.855 ( 0.020 -1.329 -0.414) 1.392 13.979 ( -0.664 1.646 1.752) 2.494 14.005 ( -1.182 -1.145 1.498) 2.225 14.127 ( 1.834 2.006 1.887) 3.309 14.136 ( 2.387 1.028 1.874) 3.204 14.275 ( 0.867 2.896 -4.870) 5.732 14.295 ( 0.824 0.923 -4.265) 4.441 15.174 ( 0.565 -0.170 0.741) 0.947 15.191 ( -0.475 -1.660 1.126) 2.062 15.224 ( -0.703 1.247 -1.061) 1.782 15.262 ( -1.200 -2.296 -1.517) 3.002 15.566 ( -3.342 1.226 -0.726) 3.633 15.604 ( -3.411 -1.800 0.792) 3.937 15.718 ( -1.609 1.497 -2.072) 3.020 15.788 ( -4.107 -4.619 -1.754) 6.425 16.042 ( 5.053 5.295 0.039) 7.319 16.080 ( 4.791 0.276 1.575) 5.051 16.165 ( 7.442 1.024 0.725) 7.547 16.299 ( 0.481 -10.793 2.221) 11.030 18.410 ( -1.655 3.289 0.607) 3.732 18.445 ( -4.386 2.967 -1.234) 5.437 18.490 ( -4.669 -0.784 0.950) 4.829 18.564 ( -5.011 -4.604 -0.019) 6.805 18.728 ( -1.886 3.533 1.580) 4.306 18.795 ( -1.016 -2.524 0.643) 2.796 18.862 ( 2.447 1.295 0.722) 2.861 18.889 ( 2.110 -0.995 1.330) 2.686 18.938 ( 3.538 5.005 -2.391) 6.579 19.028 ( 1.704 -3.607 -1.974) 4.451 19.281 ( -0.006 2.666 -1.398) 3.010 19.323 ( 1.281 -0.814 0.036) 1.518 21.350 ( -1.983 -0.181 0.811) 2.150 21.379 ( -0.291 -2.814 3.238) 4.300 21.729 ( -0.169 2.829 -1.276) 3.108 21.797 ( -1.578 -3.880 -1.840) 4.575 23.300 ( -3.712 2.516 -0.986) 4.592 23.354 ( -3.462 -2.289 0.233) 4.156 23.410 ( -2.115 0.028 0.284) 2.134 23.421 ( -1.962 -0.285 0.402) 2.023 23.721 ( 3.670 1.630 0.826) 4.100 23.763 ( 4.272 0.139 -0.569) 4.312 23.776 ( 2.315 -1.435 -0.800) 2.839 23.786 ( 1.664 -3.999 0.888) 4.421 ======================= Grid point 31 (20/70) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 0.000 -0.155 0.000) 0.155 2.232 ( 0.000 -5.282 0.000) 5.282 2.379 ( 0.000 7.072 0.000) 7.072 2.419 ( -0.000 5.017 0.000) 5.017 2.528 ( -0.000 10.738 0.000) 10.738 2.540 ( -0.000 -4.068 0.000) 4.068 2.546 ( 0.000 -1.483 -0.000) 1.483 2.647 ( -0.000 0.419 0.000) 0.419 2.694 ( 0.000 -0.979 0.000) 0.979 2.768 ( 0.000 -3.223 0.000) 3.223 2.812 ( 0.000 9.065 0.000) 9.065 2.881 ( 0.000 1.538 0.000) 1.538 2.938 ( 0.000 -1.347 0.000) 1.347 2.951 ( -0.000 7.549 0.000) 7.549 3.003 ( -0.001 1.185 0.000) 1.185 3.006 ( 0.001 -11.331 -0.000) 11.331 3.111 ( 0.000 -5.748 0.000) 5.748 3.133 ( -0.000 -10.135 0.000) 10.135 3.215 ( 0.000 8.850 0.000) 8.850 3.390 ( 0.000 -7.991 -0.000) 7.991 3.435 ( 0.000 9.815 0.000) 9.815 3.537 ( 0.000 1.338 -0.000) 1.338 3.606 ( 0.000 -4.304 -0.000) 4.304 3.619 ( -0.000 -5.134 0.000) 5.134 3.638 ( 0.000 1.098 0.000) 1.098 3.651 ( -0.000 0.034 0.000) 0.034 3.812 ( -0.000 2.069 0.000) 2.069 3.848 ( 0.000 -2.758 0.000) 2.758 4.022 ( -0.000 -1.551 0.000) 1.551 4.067 ( 0.000 1.627 -0.000) 1.627 4.097 ( 0.000 -4.185 -0.000) 4.185 4.154 ( 0.000 -1.663 -0.000) 1.663 4.260 ( 0.000 -6.093 0.000) 6.093 4.295 ( 0.000 -8.867 0.000) 8.867 4.354 ( 0.000 4.252 0.000) 4.252 4.439 ( 0.000 -4.522 0.000) 4.522 4.814 ( 0.001 -4.712 -0.001) 4.712 4.815 ( -0.001 -3.991 0.001) 3.991 4.997 ( 0.000 -0.949 -0.000) 0.949 5.037 ( 0.000 -0.586 0.000) 0.586 5.189 ( 0.000 1.025 -0.000) 1.025 5.204 ( -0.000 1.967 0.000) 1.967 5.288 ( 0.000 0.896 -0.000) 0.896 5.314 ( 0.000 4.936 0.000) 4.936 5.367 ( 0.000 2.651 0.000) 2.651 5.425 ( -0.000 -1.447 0.000) 1.447 5.515 ( 0.000 1.720 -0.000) 1.720 5.518 ( 0.000 0.362 0.000) 0.362 5.561 ( 0.000 -1.029 0.000) 1.029 5.652 ( 0.000 -7.042 0.000) 7.042 5.773 ( -0.000 1.922 0.000) 1.922 5.831 ( 0.000 -3.241 0.000) 3.241 5.900 ( 0.000 2.143 0.000) 2.143 5.929 ( -0.000 -0.451 0.000) 0.451 6.176 ( -0.000 7.616 -0.000) 7.616 6.191 ( 0.000 1.370 0.000) 1.370 6.265 ( -0.000 -1.073 0.000) 1.073 6.335 ( 0.000 3.912 -0.000) 3.912 6.360 ( 0.000 2.287 -0.000) 2.287 6.372 ( -0.000 -4.793 0.000) 4.793 6.453 ( 0.000 -0.356 0.000) 0.356 6.470 ( -0.000 -0.971 0.000) 0.971 6.519 ( 0.000 1.803 0.000) 1.803 6.543 ( 0.000 -1.233 -0.000) 1.233 6.671 ( 0.000 -1.366 0.000) 1.366 6.683 ( -0.000 -1.647 -0.000) 1.647 6.878 ( 0.000 7.155 0.000) 7.155 7.009 ( 0.000 -3.374 0.000) 3.374 7.169 ( 0.000 -0.097 0.000) 0.097 7.175 ( -0.000 0.682 -0.000) 0.682 7.228 ( -0.000 -2.972 -0.000) 2.972 7.249 ( 0.000 -5.321 0.000) 5.321 7.322 ( -0.000 2.474 0.000) 2.474 7.372 ( 0.000 -1.501 -0.000) 1.501 7.521 ( 0.000 -0.656 -0.000) 0.656 7.525 ( 0.000 -1.148 0.000) 1.148 7.615 ( 0.000 3.787 0.000) 3.787 7.669 ( 0.000 -4.745 0.000) 4.745 7.709 ( 0.000 1.070 0.000) 1.070 7.799 ( 0.000 -4.245 0.000) 4.245 7.848 ( -0.000 -1.846 0.000) 1.846 7.885 ( 0.000 -5.158 0.000) 5.158 8.298 ( -0.000 4.053 0.000) 4.053 8.321 ( 0.000 -0.448 -0.000) 0.448 8.378 ( 0.000 1.172 0.000) 1.172 8.391 ( -0.000 -0.922 -0.000) 0.922 8.491 ( 0.000 -2.004 0.000) 2.004 8.507 ( -0.000 3.563 0.000) 3.563 8.558 ( 0.000 -1.168 0.000) 1.168 8.664 ( 0.000 -6.526 -0.000) 6.526 8.895 ( -0.000 5.348 -0.000) 5.348 8.898 ( 0.000 0.376 0.000) 0.376 9.008 ( 0.000 -1.326 0.000) 1.326 9.044 ( 0.000 -0.619 0.000) 0.619 9.273 ( 0.000 6.606 0.000) 6.606 9.333 ( 0.000 3.134 0.000) 3.134 9.397 ( -0.000 -0.664 0.000) 0.664 9.433 ( 0.000 -3.752 0.000) 3.752 9.529 ( -0.000 -1.223 0.000) 1.223 9.533 ( -0.000 -1.026 -0.000) 1.026 9.648 ( -0.000 1.102 0.000) 1.102 9.649 ( 0.000 0.248 -0.000) 0.248 9.787 ( 0.000 0.675 0.000) 0.675 9.834 ( 0.000 -2.373 -0.000) 2.373 10.268 ( -0.000 7.242 0.000) 7.242 10.274 ( 0.000 6.661 -0.000) 6.661 10.393 ( 0.000 1.176 0.000) 1.176 10.433 ( 0.000 -1.864 -0.000) 1.864 10.736 ( -0.000 10.292 -0.000) 10.292 10.741 ( 0.000 4.657 0.000) 4.657 10.813 ( 0.000 9.179 0.000) 9.179 10.837 ( 0.000 -4.267 0.000) 4.267 10.936 ( 0.000 -3.483 0.000) 3.483 11.025 ( 0.000 -3.572 0.000) 3.572 11.091 ( 0.000 10.318 0.000) 10.318 11.148 ( -0.000 2.328 0.000) 2.328 11.189 ( 0.000 8.642 -0.000) 8.642 11.240 ( 0.000 0.720 0.000) 0.720 11.323 ( -0.000 -7.401 0.000) 7.401 11.462 ( 0.000 -11.244 0.000) 11.244 11.505 ( 0.000 -6.485 -0.000) 6.485 11.508 ( -0.000 -3.684 0.000) 3.684 11.748 ( 0.000 0.367 0.000) 0.367 11.770 ( 0.000 1.432 0.000) 1.432 11.932 ( -0.000 3.300 0.000) 3.300 12.003 ( 0.000 -6.594 0.000) 6.594 12.187 ( -0.000 5.614 0.000) 5.614 12.260 ( 0.000 -3.336 -0.000) 3.336 12.332 ( 0.000 -1.859 0.000) 1.859 12.346 ( 0.000 0.559 -0.000) 0.559 12.443 ( 0.000 1.172 0.000) 1.172 12.528 ( 0.000 -4.889 0.000) 4.889 13.473 ( 0.000 0.422 0.000) 0.422 13.475 ( -0.000 0.078 -0.000) 0.078 13.713 ( 0.000 1.510 -0.000) 1.510 13.734 ( 0.000 0.187 -0.000) 0.187 13.792 ( 0.000 3.241 0.000) 3.241 13.853 ( 0.000 -1.927 0.000) 1.927 13.995 ( 0.000 0.295 0.000) 0.295 14.000 ( -0.000 -0.466 0.000) 0.466 14.178 ( 0.000 2.998 -0.000) 2.998 14.204 ( 0.000 0.755 -0.000) 0.755 14.234 ( -0.000 1.921 -0.000) 1.921 14.238 ( 0.000 1.613 0.000) 1.613 15.185 ( 0.000 -0.712 0.000) 0.712 15.190 ( 0.000 -1.170 0.000) 1.170 15.219 ( 0.000 -0.466 0.000) 0.466 15.230 ( -0.000 -1.733 -0.000) 1.733 15.529 ( 0.000 0.927 0.000) 0.927 15.571 ( 0.000 -3.079 -0.000) 3.079 15.692 ( 0.000 1.780 0.000) 1.780 15.742 ( 0.000 -2.968 0.000) 2.968 16.087 ( 0.000 5.979 0.000) 5.979 16.146 ( 0.000 1.498 0.000) 1.498 16.273 ( 0.000 -5.293 0.000) 5.293 16.285 ( -0.000 -5.218 0.000) 5.218 18.395 ( 0.000 4.609 0.000) 4.609 18.431 ( 0.000 0.320 0.000) 0.320 18.437 ( -0.000 -1.242 -0.000) 1.242 18.506 ( -0.000 -4.513 0.000) 4.513 18.723 ( 0.000 3.595 -0.000) 3.595 18.786 ( 0.000 -2.282 0.000) 2.282 18.894 ( 0.000 1.974 0.000) 1.974 18.924 ( 0.000 -0.846 -0.000) 0.846 18.946 ( -0.000 4.305 0.000) 4.305 19.024 ( 0.000 -3.408 -0.000) 3.408 19.271 ( 0.000 3.397 0.000) 3.397 19.334 ( 0.000 -1.858 0.000) 1.858 21.338 ( 0.000 1.709 -0.000) 1.709 21.395 ( 0.000 -3.487 0.000) 3.487 21.739 ( 0.000 -0.167 0.000) 0.167 21.752 ( -0.000 -1.769 -0.000) 1.769 23.261 ( 0.000 3.112 0.000) 3.112 23.324 ( 0.000 -2.491 0.000) 2.491 23.394 ( 0.000 -0.314 0.000) 0.314 23.407 ( 0.000 -0.898 0.000) 0.898 23.771 ( 0.000 0.596 0.000) 0.596 23.776 ( -0.000 0.478 -0.000) 0.478 23.801 ( -0.000 -1.715 0.000) 1.715 23.805 ( 0.000 -2.451 -0.000) 2.451 ======================= Grid point 63 (21/70) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -0.215 0.000 33.889) 33.890 0.656 ( 2.273 0.000 36.114) 36.185 1.115 ( -3.571 0.000 60.923) 61.028 1.673 ( -1.126 0.000 -23.096) 23.123 1.790 ( -2.441 0.000 -25.253) 25.371 2.301 ( -2.171 0.000 4.994) 5.446 2.458 ( 1.597 0.000 3.262) 3.632 2.509 ( 0.333 0.000 2.768) 2.787 2.555 ( -6.690 0.000 3.781) 7.684 2.638 ( -10.436 0.000 0.055) 10.436 2.668 ( 1.159 0.000 3.515) 3.701 2.884 ( 8.381 0.000 -9.132) 12.395 2.896 ( -2.140 0.000 1.619) 2.684 2.950 ( 4.295 0.000 -4.786) 6.431 3.083 ( -7.192 0.000 2.317) 7.556 3.134 ( 2.815 0.000 -0.491) 2.857 3.258 ( 1.433 0.000 -14.109) 14.182 3.347 ( -3.902 0.000 -0.427) 3.926 3.390 ( -0.850 0.000 1.540) 1.759 3.438 ( -0.311 0.000 -3.364) 3.379 3.614 ( -15.070 0.000 1.746) 15.171 3.720 ( 2.615 0.000 -3.237) 4.161 3.736 ( 0.653 0.000 0.666) 0.933 3.872 ( -2.118 0.000 -4.875) 5.315 3.897 ( -0.457 0.000 -3.578) 3.607 3.898 ( -1.352 0.000 0.481) 1.435 3.983 ( -6.864 0.000 -1.856) 7.110 4.136 ( -6.801 0.000 -0.459) 6.817 4.224 ( 6.064 0.000 -14.524) 15.739 4.249 ( -9.108 0.000 -2.655) 9.487 4.419 ( 7.963 0.000 8.936) 11.969 4.537 ( 3.858 0.000 6.567) 7.616 4.615 ( -1.101 0.000 9.149) 9.215 4.749 ( -7.940 0.000 -1.273) 8.042 4.871 ( 11.289 0.000 -0.071) 11.289 4.904 ( 1.257 0.000 5.331) 5.477 4.974 ( -0.804 0.000 1.870) 2.036 5.048 ( -6.017 0.000 3.739) 7.084 5.050 ( -0.130 0.000 0.288) 0.315 5.169 ( -5.002 0.000 -5.726) 7.603 5.284 ( 3.119 0.000 -6.685) 7.377 5.321 ( -1.467 0.000 -2.300) 2.728 5.413 ( -1.905 0.000 6.316) 6.597 5.445 ( 2.198 0.000 3.881) 4.461 5.480 ( 3.112 0.000 -3.137) 4.418 5.492 ( 4.600 0.000 1.086) 4.726 5.644 ( 2.998 0.000 2.624) 3.985 5.650 ( 5.812 0.000 -3.246) 6.657 5.673 ( -6.854 0.000 3.870) 7.871 5.755 ( 1.486 0.000 -1.010) 1.797 5.789 ( -6.589 0.000 -1.118) 6.683 5.888 ( -3.406 0.000 -4.934) 5.995 5.905 ( 1.404 0.000 5.516) 5.692 5.937 ( -7.500 0.000 3.292) 8.190 6.028 ( -2.618 0.000 1.264) 2.907 6.124 ( 3.402 0.000 0.385) 3.424 6.282 ( 0.964 0.000 -3.959) 4.074 6.322 ( 6.369 0.000 -3.515) 7.274 6.362 ( 0.068 0.000 5.022) 5.023 6.445 ( 1.241 0.000 -9.386) 9.467 6.466 ( 2.861 0.000 -1.684) 3.319 6.524 ( -22.706 0.000 2.504) 22.843 6.546 ( -3.901 0.000 -2.045) 4.404 6.626 ( 1.737 0.000 -6.499) 6.728 6.864 ( 4.391 0.000 -3.606) 5.682 6.894 ( -0.665 0.000 2.309) 2.403 7.043 ( 4.288 0.000 -6.666) 7.926 7.102 ( 2.833 0.000 -2.181) 3.575 7.165 ( 5.654 0.000 4.567) 7.268 7.176 ( -9.800 0.000 4.848) 10.934 7.214 ( 0.248 0.000 3.300) 3.309 7.244 ( 2.697 0.000 6.603) 7.133 7.450 ( -10.580 0.000 8.486) 13.562 7.531 ( -2.534 0.000 -0.226) 2.544 7.580 ( -4.355 0.000 2.301) 4.926 7.704 ( 4.099 0.000 -2.036) 4.577 7.729 ( 2.288 0.000 2.170) 3.154 7.790 ( 4.215 0.000 -2.456) 4.878 7.799 ( -7.185 0.000 -0.981) 7.252 7.855 ( -0.328 0.000 -0.083) 0.339 7.942 ( 0.047 0.000 1.303) 1.304 7.943 ( -0.924 0.000 6.019) 6.090 8.107 ( 2.290 0.000 -3.828) 4.460 8.179 ( -1.760 0.000 4.160) 4.517 8.211 ( -4.062 0.000 3.641) 5.455 8.357 ( -0.056 0.000 3.660) 3.660 8.439 ( -2.210 0.000 -1.757) 2.823 8.463 ( 0.701 0.000 -3.656) 3.722 8.551 ( 3.448 0.000 -3.468) 4.890 8.580 ( -1.200 0.000 -1.141) 1.655 8.669 ( -0.249 0.000 -2.943) 2.953 8.728 ( -6.701 0.000 -2.161) 7.041 8.754 ( 1.896 0.000 -1.172) 2.229 8.868 ( 6.437 0.000 -2.288) 6.831 8.895 ( 4.467 0.000 1.158) 4.614 9.066 ( 2.902 0.000 -1.815) 3.423 9.140 ( -1.855 0.000 -1.014) 2.115 9.221 ( 14.093 0.000 0.493) 14.101 9.269 ( -4.339 0.000 -4.001) 5.902 9.349 ( -4.620 0.000 -0.520) 4.649 9.492 ( -0.981 0.000 -0.171) 0.996 9.503 ( -0.192 0.000 -3.632) 3.637 9.628 ( 0.590 0.000 -1.101) 1.249 9.634 ( -0.706 0.000 -1.611) 1.759 9.662 ( 3.953 0.000 4.197) 5.765 9.798 ( -0.713 0.000 -2.239) 2.350 9.855 ( 1.198 0.000 14.249) 14.299 10.100 ( 3.205 0.000 0.316) 3.220 10.172 ( -1.110 0.000 -3.474) 3.648 10.249 ( 20.710 0.000 6.126) 21.597 10.255 ( -1.194 0.000 -4.633) 4.784 10.542 ( -3.263 0.000 -8.203) 8.828 10.874 ( 2.946 0.000 6.439) 7.081 11.122 ( 3.429 0.000 4.402) 5.580 11.150 ( -3.638 0.000 -6.503) 7.451 11.216 ( -2.220 0.000 9.650) 9.902 11.331 ( -1.787 0.000 -1.811) 2.544 11.331 ( 0.978 0.000 1.514) 1.802 11.404 ( -11.901 0.000 -4.983) 12.902 11.599 ( 4.238 0.000 -8.079) 9.123 11.779 ( -1.185 0.000 5.704) 5.826 11.931 ( -4.747 0.000 0.695) 4.798 11.952 ( 5.112 0.000 -2.928) 5.891 11.989 ( 0.377 0.000 -1.383) 1.433 12.192 ( 0.627 0.000 2.784) 2.853 12.257 ( -4.716 0.000 -1.927) 5.095 12.378 ( -0.104 0.000 3.888) 3.890 12.472 ( 1.664 0.000 -0.991) 1.937 12.648 ( 12.644 0.000 0.685) 12.663 12.748 ( -1.766 0.000 -3.277) 3.722 13.071 ( -16.106 0.000 0.290) 16.109 13.081 ( 3.353 0.000 0.276) 3.364 13.143 ( 1.062 0.000 2.839) 3.031 13.172 ( -1.206 0.000 0.979) 1.553 13.202 ( 0.028 0.000 1.104) 1.104 13.210 ( 0.235 0.000 -0.044) 0.239 13.466 ( 6.560 0.000 -1.982) 6.852 13.483 ( -1.571 0.000 -3.103) 3.478 13.574 ( -0.610 0.000 4.633) 4.673 13.716 ( -0.574 0.000 -1.287) 1.409 13.888 ( 1.273 0.000 0.472) 1.358 13.911 ( 1.618 0.000 -1.260) 2.051 14.055 ( 0.233 0.000 -0.173) 0.290 14.056 ( -1.371 0.000 -0.355) 1.416 15.122 ( 0.128 0.000 0.590) 0.603 15.188 ( 0.639 0.000 -2.350) 2.436 15.194 ( -1.990 0.000 1.837) 2.709 15.240 ( 0.626 0.000 -0.146) 0.643 15.572 ( 0.704 0.000 -0.048) 0.706 15.579 ( -0.113 0.000 -0.471) 0.484 15.864 ( 1.019 0.000 0.379) 1.087 15.891 ( -1.808 0.000 -0.968) 2.051 15.939 ( -2.556 0.000 1.881) 3.173 15.990 ( 2.695 0.000 -0.738) 2.794 18.145 ( -0.088 0.000 1.664) 1.666 18.234 ( -2.611 0.000 -2.781) 3.815 18.329 ( -1.259 0.000 2.403) 2.713 18.380 ( 1.171 0.000 -0.491) 1.269 18.403 ( 8.653 0.000 1.908) 8.861 18.509 ( 0.326 0.000 -2.432) 2.453 18.728 ( 0.355 0.000 -0.183) 0.399 18.741 ( 1.267 0.000 -0.831) 1.515 18.788 ( -0.958 0.000 0.613) 1.137 18.842 ( 5.687 0.000 -1.338) 5.842 19.017 ( 0.660 0.000 1.168) 1.342 19.074 ( -1.241 0.000 -1.518) 1.961 19.352 ( -7.869 0.000 0.749) 7.904 19.384 ( 0.982 0.000 -0.676) 1.192 20.986 ( -0.921 0.000 3.971) 4.076 21.167 ( 6.778 0.000 -4.203) 7.975 21.398 ( 0.000 0.000 5.024) 5.024 21.612 ( -1.432 0.000 -4.686) 4.900 23.317 ( -0.673 0.000 1.626) 1.760 23.348 ( 1.321 0.000 0.381) 1.374 23.544 ( -1.626 0.000 0.501) 1.702 23.587 ( 1.339 0.000 -1.511) 2.018 23.663 ( -0.638 0.000 0.156) 0.657 23.670 ( 1.283 0.000 -0.179) 1.295 24.037 ( -0.726 0.000 1.125) 1.339 24.083 ( 3.933 0.000 -0.922) 4.040 ======================= Grid point 64 (22/70) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 12.695 0.000 27.633) 30.410 1.163 ( 10.514 0.000 31.516) 33.224 1.456 ( 11.045 0.000 -25.133) 27.453 1.479 ( 5.775 0.000 -26.818) 27.433 2.000 ( 22.393 0.000 45.579) 50.783 2.296 ( -6.223 0.000 1.758) 6.467 2.413 ( 2.209 0.000 -10.707) 10.932 2.420 ( -10.700 0.000 0.679) 10.722 2.437 ( -6.260 0.000 -1.019) 6.342 2.660 ( -0.646 0.000 2.540) 2.621 2.676 ( 0.679 0.000 -12.321) 12.340 2.811 ( 2.872 0.000 -2.877) 4.065 2.817 ( -4.797 0.000 2.115) 5.242 2.976 ( 1.439 0.000 -1.755) 2.269 3.095 ( 4.256 0.000 -1.729) 4.594 3.156 ( -0.160 0.000 -6.363) 6.365 3.241 ( 1.732 0.000 4.076) 4.429 3.264 ( -2.286 0.000 -2.045) 3.067 3.416 ( -2.811 0.000 7.641) 8.142 3.438 ( 6.106 0.000 -1.125) 6.209 3.523 ( 5.541 0.000 -1.957) 5.877 3.676 ( -2.656 0.000 -1.735) 3.172 3.778 ( 3.193 0.000 0.886) 3.314 3.794 ( -1.691 0.000 -2.787) 3.260 3.882 ( 0.723 0.000 -3.770) 3.839 3.935 ( -7.663 0.000 -2.639) 8.105 4.064 ( 12.493 0.000 3.196) 12.895 4.096 ( -1.808 0.000 5.843) 6.116 4.116 ( 0.519 0.000 1.739) 1.815 4.230 ( 0.562 0.000 -1.602) 1.697 4.498 ( -7.844 0.000 -4.115) 8.858 4.511 ( -2.859 0.000 -2.211) 3.614 4.586 ( -8.307 0.000 -3.466) 9.001 4.704 ( -1.447 0.000 11.166) 11.260 4.935 ( -3.439 0.000 -0.747) 3.519 4.946 ( 6.590 0.000 -3.614) 7.516 5.052 ( 1.573 0.000 -7.119) 7.291 5.078 ( -1.424 0.000 13.412) 13.487 5.121 ( 5.944 0.000 6.784) 9.020 5.172 ( 0.183 0.000 1.942) 1.950 5.266 ( -0.844 0.000 3.184) 3.294 5.305 ( 6.205 0.000 -8.074) 10.182 5.403 ( 0.315 0.000 -4.653) 4.664 5.451 ( -6.286 0.000 -2.489) 6.761 5.457 ( -3.575 0.000 4.616) 5.839 5.494 ( 0.492 0.000 -4.207) 4.236 5.526 ( 1.260 0.000 -5.611) 5.751 5.631 ( -8.892 0.000 -3.711) 9.636 5.668 ( -7.096 0.000 1.978) 7.367 5.704 ( 1.523 0.000 13.130) 13.218 5.837 ( -6.499 0.000 6.281) 9.038 5.870 ( 6.379 0.000 0.504) 6.399 5.882 ( 0.943 0.000 3.171) 3.308 5.986 ( -4.321 0.000 1.214) 4.488 6.051 ( 6.625 0.000 3.472) 7.480 6.130 ( -7.800 0.000 -3.583) 8.584 6.197 ( -7.565 0.000 -10.534) 12.969 6.263 ( 1.292 0.000 -8.184) 8.286 6.387 ( 1.098 0.000 1.934) 2.224 6.389 ( 1.194 0.000 -2.908) 3.144 6.495 ( 13.527 0.000 -3.063) 13.870 6.496 ( -4.265 0.000 12.897) 13.584 6.544 ( 7.275 0.000 0.304) 7.281 6.663 ( 4.954 0.000 -2.536) 5.565 6.892 ( 0.172 0.000 0.209) 0.271 6.911 ( 2.648 0.000 -3.173) 4.132 7.052 ( -0.582 0.000 -2.595) 2.660 7.054 ( 6.311 0.000 -6.081) 8.764 7.137 ( -2.723 0.000 2.571) 3.745 7.219 ( -8.665 0.000 3.017) 9.176 7.351 ( -1.868 0.000 2.076) 2.793 7.357 ( 7.766 0.000 4.669) 9.061 7.404 ( -6.206 0.000 1.636) 6.419 7.447 ( -12.756 0.000 -3.381) 13.197 7.589 ( 2.809 0.000 6.687) 7.253 7.640 ( -8.815 0.000 -2.526) 9.170 7.737 ( -1.795 0.000 -1.571) 2.386 7.783 ( 1.207 0.000 10.313) 10.384 7.811 ( -2.430 0.000 -4.455) 5.075 7.839 ( 15.182 0.000 -3.521) 15.585 7.944 ( -2.605 0.000 2.757) 3.793 8.017 ( 1.830 0.000 -1.222) 2.201 8.085 ( 2.062 0.000 9.663) 9.881 8.178 ( -2.253 0.000 -2.930) 3.696 8.269 ( -2.928 0.000 -0.442) 2.961 8.385 ( -2.136 0.000 1.560) 2.645 8.461 ( 2.350 0.000 -1.241) 2.658 8.484 ( 9.107 0.000 5.297) 10.535 8.602 ( 13.216 0.000 2.423) 13.437 8.639 ( 0.566 0.000 -4.297) 4.334 8.691 ( 12.464 0.000 -0.931) 12.498 8.769 ( 7.599 0.000 6.151) 9.777 8.794 ( 5.765 0.000 -5.824) 8.195 8.922 ( 4.224 0.000 -8.952) 9.898 9.021 ( 4.154 0.000 1.805) 4.530 9.026 ( 2.526 0.000 -2.921) 3.861 9.197 ( 1.758 0.000 -1.996) 2.660 9.202 ( 3.582 0.000 5.540) 6.597 9.246 ( -2.033 0.000 -5.720) 6.071 9.406 ( 7.994 0.000 0.626) 8.019 9.459 ( -1.536 0.000 -0.627) 1.659 9.474 ( 0.893 0.000 -0.885) 1.257 9.614 ( -1.117 0.000 -2.495) 2.734 9.654 ( 4.192 0.000 0.276) 4.201 9.767 ( 0.739 0.000 -4.209) 4.273 9.794 ( 5.572 0.000 2.925) 6.293 9.938 ( -6.262 0.000 9.153) 11.090 10.027 ( -6.243 0.000 -6.614) 9.096 10.203 ( 1.736 0.000 -4.647) 4.961 10.203 ( 3.937 0.000 7.026) 8.054 10.299 ( -10.921 0.000 -11.579) 15.916 10.497 ( 8.710 0.000 -2.312) 9.012 10.861 ( -16.266 0.000 -1.915) 16.378 10.954 ( -7.290 0.000 4.522) 8.578 11.154 ( -4.034 0.000 11.579) 12.262 11.167 ( -7.179 0.000 -8.844) 11.391 11.265 ( -5.577 0.000 -4.104) 6.924 11.305 ( 2.270 0.000 9.531) 9.798 11.438 ( 3.819 0.000 0.266) 3.828 11.610 ( 5.403 0.000 -7.945) 9.608 11.661 ( -15.128 0.000 2.837) 15.391 11.866 ( -4.725 0.000 -2.302) 5.256 11.918 ( 0.124 0.000 2.989) 2.992 12.024 ( 0.650 0.000 -0.610) 0.891 12.228 ( 2.535 0.000 -0.029) 2.535 12.339 ( 8.692 0.000 4.572) 9.821 12.440 ( 2.283 0.000 0.765) 2.408 12.487 ( 2.673 0.000 -2.228) 3.480 12.674 ( 0.491 0.000 -5.894) 5.914 12.777 ( 3.445 0.000 -1.419) 3.726 12.959 ( -2.059 0.000 3.196) 3.802 13.093 ( -5.151 0.000 0.343) 5.162 13.198 ( 3.396 0.000 2.522) 4.230 13.227 ( 2.343 0.000 0.093) 2.345 13.240 ( 5.801 0.000 0.811) 5.857 13.284 ( 8.223 0.000 2.142) 8.498 13.415 ( -1.566 0.000 -3.637) 3.960 13.516 ( 2.623 0.000 -1.822) 3.194 13.620 ( -0.854 0.000 5.896) 5.958 13.682 ( -0.369 0.000 -2.925) 2.948 13.827 ( -6.181 0.000 0.034) 6.181 13.894 ( -1.611 0.000 -2.284) 2.795 14.037 ( -0.995 0.000 0.365) 1.060 14.046 ( -1.308 0.000 -0.090) 1.311 15.175 ( 4.301 0.000 1.305) 4.494 15.224 ( 6.609 0.000 -1.820) 6.855 15.317 ( 7.687 0.000 1.597) 7.851 15.327 ( 11.229 0.000 -4.882) 12.244 15.574 ( 0.706 0.000 -1.816) 1.948 15.586 ( 0.980 0.000 0.202) 1.000 15.835 ( -2.876 0.000 -0.688) 2.957 15.877 ( -0.429 0.000 1.079) 1.161 15.956 ( 2.524 0.000 2.666) 3.672 16.077 ( 8.279 0.000 -0.636) 8.303 17.757 ( -39.359 0.000 -5.015) 39.677 17.816 ( -36.123 0.000 5.379) 36.521 18.264 ( -8.581 0.000 4.130) 9.523 18.382 ( 0.277 0.000 -0.662) 0.717 18.424 ( -1.541 0.000 2.817) 3.211 18.574 ( 7.553 0.000 -2.523) 7.963 18.725 ( -2.163 0.000 -1.310) 2.529 18.753 ( 0.412 0.000 0.444) 0.606 18.773 ( -0.032 0.000 0.179) 0.182 18.783 ( -1.541 0.000 0.393) 1.590 19.032 ( -1.072 0.000 -1.492) 1.837 19.060 ( 2.032 0.000 1.905) 2.785 19.297 ( -1.650 0.000 0.786) 1.827 19.343 ( -4.092 0.000 -0.228) 4.098 21.227 ( 17.324 0.000 8.252) 19.189 21.398 ( 11.104 0.000 -7.693) 13.508 21.538 ( 0.381 0.000 -5.606) 5.619 21.566 ( 16.245 0.000 -2.261) 16.402 23.316 ( -0.804 0.000 1.084) 1.350 23.354 ( -1.464 0.000 -1.259) 1.931 23.515 ( -1.614 0.000 0.647) 1.739 23.582 ( -0.647 0.000 -0.936) 1.138 23.687 ( 3.870 0.000 1.163) 4.041 23.709 ( 3.116 0.000 -1.070) 3.295 24.012 ( -2.657 0.000 -0.559) 2.715 24.032 ( -5.613 0.000 0.969) 5.696 ======================= Grid point 65 (23/70) ======================= q-point: ( 0.33 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 21.110 0.000 -19.930) 29.031 1.477 ( 24.166 0.000 -11.933) 26.951 1.635 ( 10.706 0.000 16.255) 19.464 1.712 ( 14.319 0.000 23.926) 27.884 2.077 ( -11.959 0.000 -4.882) 12.917 2.156 ( -16.742 0.000 -6.505) 17.961 2.258 ( -11.088 0.000 2.559) 11.379 2.354 ( -11.882 0.000 1.196) 11.942 2.490 ( -3.547 0.000 -0.096) 3.549 2.566 ( 17.717 0.000 -18.850) 25.870 2.789 ( 7.235 0.000 7.459) 10.392 2.869 ( 1.952 0.000 0.877) 2.140 2.932 ( 3.109 0.000 -7.541) 8.157 2.942 ( 7.785 0.000 15.580) 17.416 3.017 ( -6.297 0.000 -2.740) 6.867 3.137 ( -0.241 0.000 -4.363) 4.370 3.276 ( 5.691 0.000 -0.664) 5.730 3.353 ( 7.187 0.000 4.421) 8.438 3.457 ( 0.519 0.000 4.915) 4.942 3.497 ( 2.306 0.000 -8.691) 8.992 3.616 ( -3.615 0.000 4.512) 5.782 3.646 ( 2.960 0.000 2.357) 3.784 3.754 ( -2.323 0.000 -0.756) 2.443 3.783 ( 4.178 0.000 -1.125) 4.327 3.873 ( -0.337 0.000 -2.025) 2.052 3.917 ( 6.312 0.000 4.229) 7.598 4.095 ( -8.213 0.000 9.535) 12.585 4.145 ( -11.707 0.000 -1.825) 11.849 4.166 ( 1.077 0.000 -0.469) 1.175 4.201 ( -0.443 0.000 2.873) 2.907 4.351 ( -9.888 0.000 0.642) 9.909 4.417 ( -2.428 0.000 -3.028) 3.881 4.482 ( 8.855 0.000 1.774) 9.031 4.780 ( -2.087 0.000 5.598) 5.974 4.809 ( -9.982 0.000 0.410) 9.990 4.919 ( -14.815 0.000 1.279) 14.870 5.013 ( 5.588 0.000 -9.492) 11.015 5.031 ( -0.351 0.000 -4.820) 4.833 5.213 ( 1.711 0.000 0.542) 1.795 5.214 ( -2.936 0.000 2.881) 4.113 5.280 ( -0.731 0.000 1.960) 2.092 5.303 ( -1.643 0.000 -6.881) 7.075 5.345 ( 2.667 0.000 -6.099) 6.656 5.392 ( 5.173 0.000 9.488) 10.807 5.482 ( 3.442 0.000 -6.264) 7.147 5.497 ( -4.567 0.000 7.183) 8.512 5.525 ( 3.505 0.000 -3.351) 4.849 5.577 ( -3.957 0.000 0.307) 3.969 5.673 ( 6.648 0.000 11.673) 13.433 5.760 ( -9.468 0.000 -10.967) 14.489 5.812 ( -4.863 0.000 5.684) 7.480 5.835 ( -16.438 0.000 -4.119) 16.946 5.853 ( -4.195 0.000 6.539) 7.769 5.932 ( 3.148 0.000 8.021) 8.617 5.987 ( -3.489 0.000 4.655) 5.817 6.053 ( 6.288 0.000 -0.628) 6.320 6.094 ( 0.853 0.000 -6.860) 6.913 6.263 ( 5.838 0.000 0.660) 5.875 6.455 ( 2.986 0.000 -3.278) 4.434 6.482 ( 7.832 0.000 -1.085) 7.907 6.509 ( -7.706 0.000 4.715) 9.034 6.695 ( 8.013 0.000 -1.729) 8.198 6.716 ( 10.330 0.000 0.948) 10.373 6.753 ( 12.440 0.000 -4.705) 13.300 6.865 ( -3.868 0.000 0.929) 3.978 6.886 ( 3.945 0.000 -10.467) 11.186 7.018 ( -9.567 0.000 2.114) 9.798 7.099 ( -0.843 0.000 -3.089) 3.202 7.135 ( -3.337 0.000 1.751) 3.769 7.149 ( 6.581 0.000 0.555) 6.605 7.160 ( -9.711 0.000 4.567) 10.731 7.291 ( -6.237 0.000 -2.743) 6.813 7.303 ( -1.272 0.000 -3.836) 4.041 7.336 ( -9.151 0.000 1.058) 9.212 7.527 ( -10.543 0.000 -3.199) 11.017 7.587 ( -1.967 0.000 -0.255) 1.984 7.717 ( 0.220 0.000 7.003) 7.007 7.838 ( -6.278 0.000 4.840) 7.927 7.839 ( 0.308 0.000 -5.604) 5.613 7.938 ( 3.019 0.000 4.262) 5.222 8.014 ( 6.512 0.000 4.221) 7.760 8.053 ( -2.631 0.000 0.121) 2.634 8.145 ( -1.075 0.000 1.230) 1.633 8.185 ( 0.475 0.000 4.243) 4.270 8.246 ( 3.277 0.000 4.889) 5.886 8.387 ( 3.317 0.000 -2.133) 3.944 8.603 ( -2.276 0.000 -0.908) 2.450 8.649 ( 9.070 0.000 5.199) 10.455 8.692 ( 6.020 0.000 2.071) 6.366 8.780 ( 0.684 0.000 -3.267) 3.338 8.841 ( 4.577 0.000 -1.305) 4.760 8.872 ( 10.819 0.000 -1.489) 10.921 8.938 ( 12.165 0.000 0.987) 12.205 8.957 ( 2.727 0.000 3.011) 4.062 9.040 ( 1.934 0.000 -0.658) 2.043 9.083 ( 4.744 0.000 -4.864) 6.794 9.161 ( -0.636 0.000 -2.438) 2.519 9.271 ( 6.269 0.000 -5.500) 8.340 9.347 ( 4.395 0.000 4.020) 5.956 9.441 ( 0.120 0.000 3.808) 3.810 9.513 ( 1.059 0.000 -0.788) 1.320 9.531 ( 6.078 0.000 -1.641) 6.296 9.597 ( 3.249 0.000 0.253) 3.259 9.707 ( 3.163 0.000 -0.896) 3.288 9.727 ( 0.213 0.000 2.073) 2.084 9.898 ( 3.889 0.000 -1.481) 4.162 9.945 ( -0.847 0.000 6.869) 6.921 9.945 ( -6.087 0.000 -6.256) 8.729 9.973 ( -0.180 0.000 -7.291) 7.293 10.188 ( -0.162 0.000 -1.090) 1.102 10.293 ( -1.267 0.000 -1.090) 1.672 10.432 ( -8.035 0.000 -2.900) 8.543 10.780 ( -12.994 0.000 1.751) 13.111 10.783 ( 0.369 0.000 7.088) 7.098 10.918 ( -5.491 0.000 -10.649) 11.981 11.137 ( -3.551 0.000 0.260) 3.560 11.231 ( -3.913 0.000 6.035) 7.193 11.404 ( -12.860 0.000 0.416) 12.867 11.410 ( -2.631 0.000 -4.549) 5.255 11.455 ( 1.992 0.000 9.045) 9.262 11.642 ( 3.797 0.000 -3.429) 5.116 11.776 ( -1.995 0.000 -3.530) 4.054 11.950 ( -0.779 0.000 3.046) 3.144 12.025 ( 0.092 0.000 -0.503) 0.512 12.311 ( 0.366 0.000 4.151) 4.167 12.430 ( 1.707 0.000 -1.774) 2.462 12.497 ( 4.485 0.000 -2.992) 5.392 12.544 ( 6.196 0.000 3.507) 7.119 12.686 ( 6.246 0.000 -3.070) 6.960 12.743 ( -4.529 0.000 -1.570) 4.793 12.996 ( -5.401 0.000 1.210) 5.535 13.006 ( 1.480 0.000 2.866) 3.226 13.275 ( 1.211 0.000 -3.340) 3.553 13.281 ( 5.969 0.000 -3.324) 6.832 13.321 ( 0.239 0.000 1.169) 1.193 13.330 ( 4.535 0.000 -2.774) 5.316 13.523 ( 8.796 0.000 5.111) 10.173 13.533 ( 0.661 0.000 0.779) 1.022 13.629 ( -1.153 0.000 -4.236) 4.390 13.676 ( -2.105 0.000 7.706) 7.988 13.713 ( -6.263 0.000 -0.452) 6.279 13.830 ( -1.314 0.000 -2.394) 2.731 14.013 ( -1.887 0.000 -0.073) 1.889 14.024 ( -0.701 0.000 0.003) 0.701 15.296 ( 6.901 0.000 2.422) 7.313 15.336 ( 7.469 0.000 -2.198) 7.786 15.398 ( 3.349 0.000 -4.296) 5.447 15.509 ( 1.342 0.000 4.803) 4.987 15.576 ( 5.879 0.000 3.954) 7.085 15.619 ( 3.084 0.000 -0.021) 3.084 15.785 ( -2.620 0.000 0.279) 2.634 15.876 ( -1.198 0.000 1.213) 1.705 16.145 ( 14.731 0.000 6.387) 16.056 16.249 ( 12.661 0.000 -1.958) 12.811 16.920 ( -37.889 0.000 -15.569) 40.963 17.264 ( -32.356 0.000 2.327) 32.439 18.177 ( -6.611 0.000 3.708) 7.580 18.374 ( 0.496 0.000 -2.135) 2.192 18.435 ( -0.987 0.000 2.731) 2.904 18.653 ( 2.887 0.000 -0.795) 2.994 18.680 ( 0.943 0.000 -3.378) 3.507 18.723 ( -1.710 0.000 -0.385) 1.753 18.775 ( 0.358 0.000 0.156) 0.391 18.822 ( 2.665 0.000 0.001) 2.665 19.015 ( 0.008 0.000 0.302) 0.302 19.115 ( 1.847 0.000 0.966) 2.084 19.273 ( -3.524 0.000 -0.135) 3.527 19.273 ( -1.537 0.000 -0.055) 1.538 21.450 ( 4.172 0.000 -4.396) 6.060 21.498 ( 2.827 0.000 -4.466) 5.285 21.586 ( 5.644 0.000 11.876) 13.149 21.770 ( 10.088 0.000 -1.334) 10.176 23.293 ( -2.125 0.000 -1.317) 2.500 23.318 ( -0.497 0.000 0.764) 0.912 23.508 ( -0.271 0.000 0.577) 0.637 23.552 ( -0.830 0.000 -1.157) 1.424 23.747 ( 3.335 0.000 -1.592) 3.696 23.797 ( 5.373 0.000 1.493) 5.576 23.946 ( -1.973 0.000 -2.977) 3.571 23.951 ( -5.574 0.000 1.699) 5.827 ======================= Grid point 66 (24/70) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -21.039 0.000 -6.004) 21.879 1.597 ( -4.969 0.000 -8.955) 10.241 1.776 ( 3.653 0.000 -9.698) 10.364 1.834 ( 26.598 0.000 -8.175) 27.826 2.076 ( -3.453 0.000 6.155) 7.058 2.138 ( -7.089 0.000 5.001) 8.675 2.151 ( 4.331 0.000 14.595) 15.224 2.183 ( -3.355 0.000 12.255) 12.706 2.460 ( 4.639 0.000 -1.330) 4.826 2.636 ( 2.168 0.000 -11.387) 11.591 2.840 ( -9.538 0.000 -0.835) 9.575 2.867 ( -4.164 0.000 0.311) 4.175 2.935 ( -14.156 0.000 -1.742) 14.263 2.987 ( 0.090 0.000 6.883) 6.884 3.054 ( 6.344 0.000 1.379) 6.492 3.095 ( 23.196 0.000 -9.773) 25.171 3.300 ( 1.233 0.000 -4.707) 4.866 3.338 ( -8.953 0.000 -6.684) 11.173 3.506 ( -10.798 0.000 -1.533) 10.906 3.523 ( 10.973 0.000 -4.887) 12.012 3.618 ( 2.268 0.000 0.475) 2.317 3.677 ( 0.786 0.000 8.239) 8.277 3.757 ( -4.841 0.000 -4.813) 6.826 3.821 ( 5.683 0.000 4.370) 7.169 3.846 ( 0.653 0.000 1.808) 1.923 4.001 ( 7.532 0.000 -5.090) 9.091 4.067 ( -9.758 0.000 8.554) 12.976 4.096 ( -5.586 0.000 12.958) 14.111 4.149 ( -6.253 0.000 0.966) 6.327 4.301 ( 10.213 0.000 7.389) 12.606 4.337 ( 11.592 0.000 -0.256) 11.595 4.368 ( -5.368 0.000 7.898) 9.550 4.592 ( -9.153 0.000 -0.239) 9.156 4.678 ( -4.806 0.000 -4.271) 6.430 4.691 ( 3.143 0.000 1.127) 3.339 4.838 ( -0.836 0.000 3.243) 3.349 4.959 ( 1.623 0.000 -5.896) 6.115 4.965 ( -0.370 0.000 -8.727) 8.735 5.172 ( 2.769 0.000 -2.283) 3.589 5.187 ( -2.129 0.000 -2.098) 2.989 5.319 ( -2.241 0.000 2.527) 3.378 5.324 ( 7.908 0.000 -2.210) 8.211 5.381 ( 4.627 0.000 7.909) 9.163 5.424 ( -4.196 0.000 -7.850) 8.901 5.454 ( -0.142 0.000 -1.540) 1.546 5.456 ( -0.141 0.000 -5.823) 5.825 5.522 ( -7.830 0.000 5.013) 9.298 5.566 ( -3.704 0.000 -1.186) 3.889 5.664 ( 7.215 0.000 2.916) 7.782 5.721 ( -5.348 0.000 -4.993) 7.317 5.812 ( -6.827 0.000 4.147) 7.987 5.838 ( 16.300 0.000 12.776) 20.711 5.878 ( 0.575 0.000 11.817) 11.831 5.964 ( -15.079 0.000 -0.156) 15.080 6.001 ( -2.819 0.000 6.158) 6.773 6.046 ( 3.226 0.000 -8.490) 9.082 6.189 ( 4.063 0.000 6.709) 7.843 6.229 ( -0.021 0.000 -1.562) 1.562 6.454 ( 1.262 0.000 4.073) 4.264 6.544 ( -1.175 0.000 -3.137) 3.350 6.602 ( 12.345 0.000 -4.383) 13.100 6.685 ( 2.222 0.000 -8.231) 8.526 6.731 ( -8.214 0.000 0.130) 8.215 6.832 ( 1.414 0.000 -6.820) 6.965 6.834 ( -1.039 0.000 1.147) 1.548 6.909 ( -5.639 0.000 -2.104) 6.019 6.913 ( 11.510 0.000 -8.241) 14.156 6.984 ( -3.746 0.000 -1.430) 4.010 7.007 ( -3.175 0.000 -6.925) 7.618 7.154 ( -0.669 0.000 -6.666) 6.699 7.216 ( -2.130 0.000 8.368) 8.635 7.223 ( 0.359 0.000 1.934) 1.967 7.284 ( 3.117 0.000 -1.845) 3.622 7.308 ( -3.508 0.000 2.548) 4.336 7.386 ( 2.971 0.000 2.881) 4.138 7.590 ( -0.286 0.000 -0.299) 0.414 7.685 ( 1.970 0.000 -9.146) 9.356 7.706 ( -4.496 0.000 1.385) 4.705 7.859 ( -0.298 0.000 4.510) 4.520 7.999 ( 0.302 0.000 -1.933) 1.957 8.082 ( 2.015 0.000 4.431) 4.868 8.122 ( -1.827 0.000 6.224) 6.487 8.185 ( 0.121 0.000 9.988) 9.989 8.254 ( -3.902 0.000 12.649) 13.237 8.313 ( -2.195 0.000 2.244) 3.139 8.447 ( 1.685 0.000 -7.642) 7.825 8.469 ( -1.952 0.000 -3.418) 3.936 8.687 ( -6.991 0.000 -1.869) 7.236 8.748 ( 2.128 0.000 -2.939) 3.628 8.809 ( 4.023 0.000 3.327) 5.221 8.827 ( -1.230 0.000 -8.605) 8.692 8.943 ( 3.900 0.000 -2.995) 4.917 9.051 ( 1.577 0.000 1.600) 2.247 9.054 ( -4.399 0.000 5.425) 6.985 9.069 ( -1.859 0.000 2.403) 3.038 9.122 ( 4.008 0.000 2.972) 4.989 9.185 ( 2.418 0.000 1.089) 2.652 9.241 ( 2.136 0.000 -9.817) 10.046 9.350 ( -4.091 0.000 -1.634) 4.405 9.462 ( -3.265 0.000 -0.901) 3.387 9.573 ( 1.649 0.000 -2.060) 2.638 9.585 ( -1.121 0.000 0.469) 1.215 9.627 ( 5.862 0.000 4.715) 7.523 9.686 ( -5.411 0.000 1.456) 5.603 9.749 ( -1.202 0.000 -2.236) 2.539 9.870 ( -2.982 0.000 -5.861) 6.576 9.956 ( 12.797 0.000 8.579) 15.407 10.005 ( -2.419 0.000 2.397) 3.406 10.056 ( 5.322 0.000 0.127) 5.323 10.164 ( -2.776 0.000 0.972) 2.941 10.255 ( -6.366 0.000 -4.953) 8.065 10.272 ( 7.346 0.000 -4.644) 8.690 10.650 ( -1.089 0.000 0.408) 1.163 10.692 ( -4.020 0.000 -3.333) 5.222 11.011 ( 13.423 0.000 3.218) 13.803 11.130 ( -8.114 0.000 -3.656) 8.899 11.212 ( 3.313 0.000 7.570) 8.263 11.266 ( -4.790 0.000 5.094) 6.992 11.283 ( -3.121 0.000 -6.227) 6.965 11.573 ( -0.637 0.000 6.316) 6.348 11.668 ( 2.788 0.000 -1.946) 3.399 11.706 ( 1.010 0.000 -6.993) 7.066 11.962 ( -1.118 0.000 2.192) 2.460 12.002 ( -0.485 0.000 -2.253) 2.305 12.300 ( -1.660 0.000 2.823) 3.275 12.514 ( 2.441 0.000 -3.319) 4.120 12.521 ( 2.311 0.000 4.553) 5.106 12.581 ( -7.178 0.000 -3.796) 8.120 12.688 ( 2.523 0.000 2.272) 3.395 12.753 ( 3.206 0.000 -1.883) 3.718 12.977 ( -0.845 0.000 5.623) 5.686 13.055 ( -0.551 0.000 3.776) 3.816 13.198 ( -0.325 0.000 -5.368) 5.377 13.275 ( -0.363 0.000 -7.903) 7.912 13.355 ( 5.213 0.000 -4.117) 6.643 13.409 ( 2.154 0.000 2.946) 3.650 13.492 ( -4.187 0.000 -4.552) 6.185 13.541 ( -4.472 0.000 1.637) 4.762 13.638 ( -2.380 0.000 3.306) 4.074 13.694 ( 1.783 0.000 2.219) 2.847 13.730 ( -0.446 0.000 5.288) 5.307 13.830 ( 3.189 0.000 0.193) 3.195 13.998 ( 0.158 0.000 0.397) 0.427 14.014 ( -0.177 0.000 -0.448) 0.482 15.351 ( -3.445 0.000 -0.994) 3.585 15.397 ( 2.691 0.000 -3.187) 4.171 15.448 ( 5.684 0.000 1.781) 5.957 15.456 ( -4.452 0.000 -0.180) 4.456 15.704 ( 5.120 0.000 3.542) 6.225 15.749 ( -2.882 0.000 1.398) 3.203 15.818 ( 1.772 0.000 15.554) 15.654 15.869 ( -1.809 0.000 2.707) 3.256 16.235 ( -21.177 0.000 -12.675) 24.681 16.374 ( 3.460 0.000 -6.816) 7.644 16.601 ( 27.843 0.000 6.775) 28.655 16.844 ( -10.645 0.000 -6.171) 12.305 18.135 ( -3.145 0.000 4.118) 5.181 18.346 ( 0.963 0.000 -4.431) 4.534 18.453 ( -1.454 0.000 3.799) 4.068 18.642 ( 0.003 0.000 -2.067) 2.067 18.692 ( 2.746 0.000 -2.929) 4.014 18.696 ( -0.471 0.000 -1.158) 1.250 18.794 ( 0.213 0.000 1.553) 1.567 18.840 ( -0.371 0.000 -0.680) 0.774 19.039 ( 0.753 0.000 2.433) 2.547 19.120 ( -1.465 0.000 -1.356) 1.996 19.239 ( 0.193 0.000 0.233) 0.302 19.256 ( 0.303 0.000 -0.469) 0.558 21.451 ( 1.051 0.000 -3.089) 3.263 21.465 ( -1.444 0.000 -4.243) 4.482 21.709 ( -3.932 0.000 9.014) 9.834 21.894 ( 5.324 0.000 0.866) 5.393 23.285 ( 1.438 0.000 0.747) 1.621 23.307 ( -1.002 0.000 -0.309) 1.048 23.510 ( -0.210 0.000 0.283) 0.352 23.538 ( 0.671 0.000 -0.957) 1.168 23.793 ( 3.742 0.000 -1.086) 3.896 23.823 ( -2.904 0.000 -2.135) 3.604 23.884 ( -4.659 0.000 1.757) 4.979 23.932 ( 3.462 0.000 -0.570) 3.509 ======================= Grid point 67 (25/70) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -28.449 0.000 -3.374) 28.649 1.132 ( -31.466 0.000 1.868) 31.521 1.906 ( -30.027 0.000 -8.986) 31.343 2.038 ( 13.803 0.000 -2.432) 14.016 2.054 ( 3.004 0.000 6.585) 7.238 2.126 ( 5.551 0.000 0.188) 5.554 2.128 ( -14.855 0.000 5.586) 15.870 2.336 ( 4.722 0.000 1.993) 5.125 2.384 ( -3.405 0.000 -0.506) 3.443 2.516 ( 5.888 0.000 -12.426) 13.750 2.604 ( 3.212 0.000 6.433) 7.191 2.827 ( 0.109 0.000 0.106) 0.152 2.888 ( -0.843 0.000 -0.196) 0.865 3.066 ( -12.578 0.000 -5.922) 13.902 3.114 ( 0.407 0.000 4.597) 4.615 3.135 ( 5.682 0.000 4.560) 7.286 3.248 ( 1.034 0.000 -4.103) 4.232 3.423 ( 8.624 0.000 -2.642) 9.020 3.455 ( 1.528 0.000 4.316) 4.579 3.597 ( -1.492 0.000 -2.655) 3.045 3.676 ( -0.917 0.000 1.677) 1.911 3.683 ( 8.306 0.000 -2.014) 8.546 3.798 ( -5.432 0.000 1.767) 5.713 3.802 ( -2.937 0.000 2.262) 3.707 3.868 ( 7.019 0.000 2.372) 7.409 3.957 ( 1.619 0.000 -8.331) 8.487 4.010 ( -3.990 0.000 6.541) 7.662 4.120 ( -2.336 0.000 6.043) 6.479 4.253 ( 1.696 0.000 1.715) 2.412 4.372 ( -1.083 0.000 0.672) 1.275 4.467 ( 4.275 0.000 -1.672) 4.591 4.486 ( -4.491 0.000 12.025) 12.836 4.614 ( 12.295 0.000 9.331) 15.435 4.634 ( -0.710 0.000 -0.150) 0.726 4.687 ( 0.482 0.000 -8.590) 8.604 4.861 ( -0.224 0.000 -3.775) 3.781 4.901 ( 1.234 0.000 0.770) 1.454 4.987 ( 8.068 0.000 -4.966) 9.474 5.163 ( 3.399 0.000 -2.719) 4.352 5.225 ( -4.063 0.000 -5.512) 6.848 5.242 ( 5.891 0.000 -1.105) 5.994 5.303 ( -4.117 0.000 1.032) 4.244 5.382 ( -0.716 0.000 -2.981) 3.065 5.432 ( 0.876 0.000 -1.982) 2.166 5.472 ( 1.989 0.000 4.123) 4.578 5.482 ( 0.158 0.000 2.734) 2.738 5.543 ( -9.891 0.000 -8.876) 13.290 5.549 ( 0.579 0.000 3.265) 3.316 5.620 ( -0.295 0.000 -3.481) 3.494 5.644 ( 8.007 0.000 13.918) 16.056 5.777 ( -3.079 0.000 4.334) 5.316 5.875 ( 6.095 0.000 5.155) 7.983 5.916 ( -7.850 0.000 1.314) 7.959 6.012 ( -2.325 0.000 5.244) 5.736 6.013 ( 2.537 0.000 -6.155) 6.657 6.224 ( 2.095 0.000 6.192) 6.537 6.274 ( 0.159 0.000 -2.081) 2.087 6.336 ( 5.704 0.000 -3.352) 6.616 6.375 ( -0.523 0.000 3.488) 3.527 6.444 ( 0.016 0.000 3.616) 3.616 6.620 ( -7.282 0.000 -0.036) 7.282 6.636 ( -11.500 0.000 -0.512) 11.512 6.637 ( 0.138 0.000 -9.177) 9.178 6.757 ( 8.919 0.000 -8.458) 12.291 6.776 ( -1.886 0.000 1.955) 2.717 6.895 ( -0.584 0.000 -5.270) 5.303 6.921 ( 3.185 0.000 2.713) 4.183 7.002 ( 3.184 0.000 5.125) 6.034 7.013 ( 7.843 0.000 -3.067) 8.421 7.082 ( 2.555 0.000 -8.253) 8.639 7.213 ( -5.417 0.000 10.041) 11.409 7.297 ( 4.932 0.000 2.335) 5.457 7.325 ( 0.206 0.000 -3.503) 3.509 7.379 ( 9.555 0.000 -4.018) 10.365 7.483 ( 4.817 0.000 -3.267) 5.820 7.523 ( 3.099 0.000 -2.582) 4.034 7.711 ( 4.469 0.000 1.292) 4.652 7.759 ( 4.826 0.000 5.021) 6.964 7.906 ( 0.803 0.000 3.113) 3.215 7.970 ( -2.348 0.000 -5.095) 5.610 8.108 ( -10.132 0.000 -1.608) 10.259 8.117 ( -7.316 0.000 8.449) 11.176 8.223 ( 2.385 0.000 4.667) 5.241 8.290 ( -0.661 0.000 -1.435) 1.580 8.345 ( -6.174 0.000 10.679) 12.335 8.357 ( -6.207 0.000 15.221) 16.438 8.448 ( 0.032 0.000 -7.037) 7.037 8.565 ( -1.006 0.000 4.195) 4.314 8.648 ( -5.773 0.000 -10.009) 11.554 8.772 ( 0.030 0.000 -2.270) 2.270 8.871 ( -4.749 0.000 6.943) 8.412 8.878 ( -10.932 0.000 -2.501) 11.215 8.948 ( -4.069 0.000 -4.325) 5.938 8.987 ( -5.442 0.000 2.021) 5.805 9.079 ( -6.548 0.000 -5.618) 8.628 9.098 ( -1.355 0.000 -1.724) 2.193 9.189 ( -2.356 0.000 -3.048) 3.852 9.198 ( -0.636 0.000 -0.923) 1.121 9.314 ( -0.436 0.000 9.018) 9.028 9.376 ( -1.530 0.000 -0.763) 1.710 9.569 ( 1.781 0.000 -4.072) 4.444 9.575 ( -0.921 0.000 0.962) 1.332 9.633 ( -2.182 0.000 2.531) 3.342 9.713 ( -4.618 0.000 -7.253) 8.598 9.728 ( -2.664 0.000 4.613) 5.327 9.793 ( 3.415 0.000 0.573) 3.463 9.890 ( -10.573 0.000 -3.332) 11.086 10.090 ( -0.297 0.000 -4.224) 4.235 10.098 ( 1.690 0.000 3.560) 3.940 10.178 ( 6.243 0.000 -2.494) 6.723 10.311 ( 14.100 0.000 8.005) 16.214 10.331 ( 1.287 0.000 -14.643) 14.699 10.743 ( 8.825 0.000 0.387) 8.834 10.766 ( 13.059 0.000 5.733) 14.262 10.934 ( -5.921 0.000 -6.048) 8.464 11.192 ( -1.846 0.000 -2.342) 2.982 11.249 ( 3.551 0.000 -0.489) 3.584 11.334 ( 17.444 0.000 3.038) 17.707 11.421 ( 0.521 0.000 14.090) 14.100 11.512 ( -6.014 0.000 -3.736) 7.080 11.687 ( 1.670 0.000 -1.594) 2.309 11.702 ( 6.620 0.000 -5.329) 8.499 11.970 ( -0.625 0.000 2.188) 2.276 11.997 ( 1.641 0.000 -0.238) 1.658 12.332 ( -1.661 0.000 5.806) 6.039 12.386 ( -9.461 0.000 -2.386) 9.757 12.503 ( 1.054 0.000 -3.893) 4.033 12.544 ( -5.314 0.000 1.897) 5.642 12.711 ( -1.696 0.000 -1.862) 2.518 12.761 ( 1.943 0.000 -1.098) 2.232 13.059 ( 0.552 0.000 5.062) 5.092 13.061 ( -3.164 0.000 2.710) 4.166 13.151 ( 0.218 0.000 -2.520) 2.529 13.175 ( 0.746 0.000 -5.417) 5.468 13.316 ( -4.879 0.000 -4.343) 6.531 13.411 ( 1.164 0.000 -1.444) 1.855 13.431 ( -5.329 0.000 1.921) 5.665 13.511 ( -0.008 0.000 4.176) 4.176 13.647 ( -2.265 0.000 2.359) 3.271 13.708 ( 0.544 0.000 -0.069) 0.548 13.774 ( 0.334 0.000 1.420) 1.459 13.886 ( 2.951 0.000 -1.589) 3.351 14.012 ( 0.646 0.000 -0.296) 0.711 14.019 ( 1.497 0.000 0.167) 1.507 15.263 ( -6.274 0.000 0.828) 6.328 15.344 ( -4.440 0.000 -0.579) 4.478 15.383 ( -5.036 0.000 -1.336) 5.210 15.526 ( 2.885 0.000 -0.336) 2.904 15.671 ( -5.464 0.000 -1.913) 5.789 15.818 ( 2.861 0.000 -1.020) 3.038 15.932 ( -4.407 0.000 -0.851) 4.489 15.942 ( -3.468 0.000 19.058) 19.371 15.960 ( -3.433 0.000 9.874) 10.454 16.246 ( -4.682 0.000 1.833) 5.028 16.692 ( 9.953 0.000 -33.053) 34.519 17.219 ( 35.738 0.000 3.857) 35.946 18.173 ( 0.402 0.000 6.242) 6.255 18.327 ( 2.895 0.000 -3.917) 4.871 18.463 ( -3.372 0.000 4.436) 5.572 18.610 ( 0.595 0.000 -4.388) 4.428 18.680 ( 0.524 0.000 -1.518) 1.606 18.711 ( 2.066 0.000 -0.581) 2.146 18.797 ( -2.075 0.000 1.258) 2.426 18.804 ( -2.132 0.000 -1.022) 2.364 19.059 ( -2.542 0.000 -1.704) 3.060 19.081 ( 0.176 0.000 2.784) 2.789 19.276 ( 3.363 0.000 0.001) 3.363 19.277 ( 2.409 0.000 -0.160) 2.414 21.337 ( -9.491 0.000 -1.717) 9.645 21.417 ( -2.031 0.000 -0.995) 2.261 21.709 ( -4.983 0.000 5.343) 7.306 21.990 ( 5.522 0.000 0.045) 5.523 23.289 ( -0.076 0.000 -0.775) 0.779 23.333 ( 2.388 0.000 0.274) 2.404 23.513 ( 0.201 0.000 0.589) 0.622 23.546 ( 1.674 0.000 -1.308) 2.125 23.731 ( -4.225 0.000 -1.038) 4.351 23.819 ( -4.691 0.000 2.137) 5.155 23.833 ( 1.746 0.000 -2.841) 3.334 23.984 ( 2.729 0.000 -0.307) 2.746 ======================= Grid point 68 (26/70) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -29.377 0.000 13.572) 32.360 0.643 ( -33.523 0.000 10.701) 35.190 1.080 ( -52.130 0.000 25.900) 58.210 1.951 ( -6.625 0.000 -11.121) 12.944 2.059 ( -3.711 0.000 -10.656) 11.283 2.228 ( 5.665 0.000 5.881) 8.166 2.340 ( 17.541 0.000 -0.604) 17.551 2.399 ( 2.551 0.000 -2.142) 3.331 2.462 ( 0.622 0.000 10.055) 10.074 2.567 ( 5.324 0.000 1.270) 5.473 2.717 ( 5.872 0.000 2.872) 6.537 2.862 ( 4.059 0.000 -2.988) 5.040 2.881 ( -0.753 0.000 -0.782) 1.086 2.906 ( -1.660 0.000 2.998) 3.427 3.121 ( -0.218 0.000 -3.500) 3.507 3.151 ( -2.114 0.000 3.177) 3.816 3.338 ( 2.624 0.000 3.580) 4.439 3.381 ( -0.707 0.000 -6.593) 6.631 3.482 ( -3.094 0.000 0.010) 3.094 3.520 ( -9.048 0.000 -1.499) 9.171 3.642 ( -1.307 0.000 2.946) 3.223 3.703 ( 5.214 0.000 -8.155) 9.680 3.772 ( -1.486 0.000 -1.318) 1.986 3.841 ( 4.104 0.000 2.276) 4.693 3.912 ( 3.940 0.000 -7.771) 8.713 3.982 ( -2.182 0.000 -0.366) 2.213 4.099 ( 6.811 0.000 8.490) 10.884 4.201 ( 5.208 0.000 6.016) 7.957 4.286 ( 0.045 0.000 -12.704) 12.704 4.338 ( 2.600 0.000 7.773) 8.196 4.404 ( -5.340 0.000 -5.902) 7.959 4.460 ( -8.005 0.000 -6.092) 10.060 4.616 ( -3.325 0.000 11.782) 12.243 4.691 ( 1.617 0.000 -11.657) 11.769 4.749 ( 3.030 0.000 6.002) 6.723 4.918 ( -0.372 0.000 1.879) 1.915 4.956 ( 7.828 0.000 13.707) 15.785 5.039 ( -0.130 0.000 -4.330) 4.332 5.089 ( -3.593 0.000 0.990) 3.727 5.213 ( 1.037 0.000 -7.427) 7.499 5.306 ( -0.681 0.000 1.402) 1.558 5.307 ( 6.895 0.000 2.330) 7.278 5.383 ( 5.671 0.000 0.047) 5.671 5.429 ( 0.955 0.000 -6.266) 6.338 5.457 ( -2.326 0.000 3.528) 4.226 5.494 ( -1.775 0.000 1.414) 2.269 5.512 ( 5.410 0.000 -1.455) 5.602 5.597 ( 0.739 0.000 0.647) 0.982 5.703 ( -5.676 0.000 8.552) 10.264 5.773 ( 1.112 0.000 -3.463) 3.637 5.855 ( 6.691 0.000 -3.463) 7.534 5.884 ( -1.933 0.000 5.638) 5.960 5.935 ( 1.380 0.000 3.668) 3.919 6.003 ( -2.248 0.000 4.450) 4.985 6.046 ( -1.758 0.000 0.823) 1.941 6.130 ( -8.507 0.000 4.223) 9.497 6.231 ( 6.011 0.000 -3.462) 6.937 6.235 ( 9.272 0.000 -13.000) 15.968 6.394 ( -9.085 0.000 -0.272) 9.089 6.487 ( -2.710 0.000 -6.759) 7.282 6.517 ( 2.898 0.000 -12.198) 12.537 6.572 ( -1.031 0.000 5.585) 5.680 6.663 ( 0.337 0.000 6.069) 6.079 6.796 ( -0.932 0.000 8.691) 8.740 6.821 ( 9.158 0.000 -8.499) 12.494 6.821 ( 1.033 0.000 -4.040) 4.170 7.000 ( 1.860 0.000 6.021) 6.302 7.054 ( 1.512 0.000 -1.148) 1.898 7.125 ( 2.397 0.000 5.322) 5.837 7.134 ( 1.183 0.000 8.770) 8.850 7.198 ( -2.917 0.000 -8.524) 9.009 7.319 ( 0.873 0.000 5.829) 5.894 7.477 ( 8.622 0.000 5.210) 10.074 7.516 ( 7.738 0.000 -3.528) 8.504 7.552 ( 17.965 0.000 -2.880) 18.194 7.637 ( 5.123 0.000 -3.862) 6.415 7.825 ( -10.077 0.000 8.788) 13.371 7.829 ( 1.575 0.000 -1.047) 1.891 7.850 ( -0.737 0.000 3.039) 3.127 7.904 ( -0.938 0.000 1.699) 1.941 7.935 ( -2.981 0.000 -4.994) 5.816 8.147 ( -4.404 0.000 -4.575) 6.350 8.162 ( 1.224 0.000 12.280) 12.341 8.310 ( -0.685 0.000 -4.274) 4.329 8.347 ( 1.862 0.000 -8.584) 8.784 8.352 ( -12.993 0.000 8.797) 15.691 8.473 ( -7.508 0.000 -0.468) 7.523 8.506 ( 0.124 0.000 8.521) 8.522 8.622 ( -8.306 0.000 -0.536) 8.323 8.661 ( -4.410 0.000 -4.102) 6.023 8.686 ( 3.374 0.000 2.284) 4.075 8.799 ( -11.155 0.000 8.137) 13.807 8.845 ( -0.644 0.000 -5.949) 5.984 8.913 ( -5.344 0.000 0.118) 5.345 8.939 ( -7.487 0.000 -3.572) 8.295 9.034 ( -10.797 0.000 -16.271) 19.527 9.035 ( 0.992 0.000 -2.807) 2.977 9.174 ( 0.764 0.000 -0.955) 1.223 9.380 ( -2.545 0.000 5.574) 6.127 9.394 ( 1.299 0.000 -1.651) 2.101 9.522 ( -4.184 0.000 -8.054) 9.076 9.550 ( -0.837 0.000 -2.606) 2.737 9.572 ( 2.921 0.000 -1.664) 3.362 9.656 ( -3.452 0.000 2.218) 4.103 9.674 ( -4.228 0.000 -0.731) 4.291 9.780 ( 1.563 0.000 8.968) 9.103 9.823 ( -0.338 0.000 0.439) 0.554 9.945 ( -10.248 0.000 -19.882) 22.368 10.125 ( -2.754 0.000 -0.435) 2.788 10.189 ( 3.853 0.000 -2.652) 4.677 10.248 ( 3.341 0.000 1.569) 3.691 10.567 ( 7.147 0.000 0.531) 7.166 10.805 ( -0.233 0.000 0.248) 0.340 10.964 ( 11.032 0.000 1.353) 11.114 11.070 ( 13.958 0.000 -0.253) 13.960 11.142 ( -1.856 0.000 0.639) 1.963 11.317 ( 3.271 0.000 0.524) 3.313 11.389 ( -5.440 0.000 0.338) 5.450 11.520 ( -1.077 0.000 6.408) 6.498 11.625 ( 12.282 0.000 -4.455) 13.065 11.704 ( 2.462 0.000 1.018) 2.665 11.801 ( 11.642 0.000 -4.187) 12.372 11.989 ( -1.288 0.000 1.800) 2.214 12.020 ( 0.942 0.000 -1.120) 1.463 12.273 ( -6.133 0.000 7.436) 9.639 12.355 ( -2.208 0.000 3.937) 4.514 12.409 ( -9.943 0.000 0.267) 9.947 12.439 ( -1.098 0.000 -9.048) 9.114 12.575 ( -6.469 0.000 -3.893) 7.550 12.786 ( 0.302 0.000 -0.333) 0.450 13.063 ( -0.170 0.000 -1.455) 1.465 13.078 ( 3.267 0.000 2.609) 4.181 13.163 ( 0.488 0.000 1.389) 1.473 13.192 ( 1.796 0.000 0.795) 1.964 13.222 ( -3.297 0.000 0.304) 3.311 13.306 ( -4.788 0.000 3.388) 5.866 13.485 ( 0.355 0.000 -0.486) 0.602 13.526 ( -0.996 0.000 0.062) 0.998 13.570 ( -5.745 0.000 -5.731) 8.115 13.723 ( 0.369 0.000 0.442) 0.576 13.782 ( 0.539 0.000 3.374) 3.417 13.898 ( 2.279 0.000 -2.934) 3.715 14.034 ( 1.543 0.000 1.209) 1.960 14.044 ( 1.257 0.000 -0.150) 1.266 15.171 ( -5.272 0.000 1.163) 5.399 15.254 ( -5.120 0.000 -2.260) 5.597 15.272 ( -3.913 0.000 0.334) 3.927 15.557 ( 1.546 0.000 -0.496) 1.624 15.597 ( -1.603 0.000 -0.618) 1.718 15.838 ( 1.800 0.000 -0.699) 1.931 15.885 ( -11.066 0.000 -27.567) 29.705 15.907 ( 0.263 0.000 -0.480) 0.548 15.973 ( -5.413 0.000 5.746) 7.894 16.120 ( -17.087 0.000 -35.557) 39.449 16.829 ( 36.764 0.000 66.140) 75.670 17.832 ( 29.931 0.000 1.032) 29.949 18.269 ( 1.619 0.000 5.991) 6.205 18.351 ( 3.307 0.000 -1.792) 3.761 18.425 ( -6.717 0.000 3.628) 7.634 18.566 ( -0.749 0.000 -3.290) 3.374 18.690 ( 2.137 0.000 0.318) 2.160 18.741 ( 0.714 0.000 -0.358) 0.798 18.761 ( -1.794 0.000 -0.227) 1.808 18.770 ( -0.150 0.000 0.449) 0.473 19.015 ( -1.036 0.000 -0.325) 1.086 19.098 ( -0.712 0.000 0.641) 0.958 19.329 ( 3.212 0.000 1.192) 3.426 19.339 ( 4.212 0.000 -0.736) 4.275 21.120 ( -15.175 0.000 2.722) 15.418 21.376 ( -2.430 0.000 1.469) 2.840 21.675 ( -2.642 0.000 0.013) 2.642 21.954 ( -5.605 0.000 -30.222) 30.737 23.293 ( 0.987 0.000 0.488) 1.101 23.343 ( -0.184 0.000 -0.895) 0.914 23.532 ( 0.844 0.000 0.746) 1.126 23.568 ( 2.660 0.000 -1.440) 3.025 23.679 ( -1.822 0.000 0.521) 1.895 23.724 ( -5.604 0.000 -2.034) 5.962 23.859 ( 2.119 0.000 8.324) 8.590 24.019 ( 1.388 0.000 0.477) 1.468 ======================= Grid point 69 (27/70) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 1.440 21.805 23.995) 32.454 1.008 ( -4.017 24.098 25.422) 35.258 1.631 ( 1.022 42.613 30.351) 52.327 1.833 ( -1.031 9.434 -18.775) 21.037 1.898 ( -0.893 14.451 -21.665) 26.058 2.307 ( -2.436 0.531 8.330) 8.695 2.472 ( 0.380 5.038 0.800) 5.115 2.523 ( -2.371 -0.261 0.895) 2.547 2.554 ( 4.040 3.855 4.664) 7.276 2.653 ( -1.224 2.152 3.448) 4.245 2.700 ( -4.356 3.220 0.539) 5.444 2.874 ( 6.542 1.553 -0.141) 6.725 2.936 ( 2.075 2.529 -1.209) 3.487 2.974 ( 3.238 1.479 -2.323) 4.251 3.148 ( -7.195 2.925 -2.824) 8.265 3.156 ( -1.706 2.988 -0.620) 3.496 3.278 ( -1.525 -2.378 -1.597) 3.245 3.301 ( 3.423 -3.247 -3.606) 5.938 3.395 ( -2.627 -0.671 -1.171) 2.954 3.433 ( -1.957 -0.008 -1.012) 2.204 3.569 ( -2.611 -1.194 -3.698) 4.682 3.656 ( -3.940 -8.165 0.344) 9.072 3.696 ( -4.123 -0.571 1.758) 4.518 3.752 ( 9.257 -6.851 -0.266) 11.520 3.811 ( 4.975 -3.532 -1.205) 6.219 3.954 ( -1.991 1.277 -2.734) 3.615 4.007 ( -6.350 0.959 -6.088) 8.849 4.093 ( 0.023 -1.152 -0.038) 1.152 4.156 ( -0.868 -3.255 -5.593) 6.530 4.212 ( -0.884 -6.213 -11.228) 12.863 4.419 ( 2.410 1.208 1.828) 3.257 4.512 ( -0.500 -6.342 4.849) 7.999 4.566 ( 4.152 -5.092 -2.808) 7.145 4.624 ( 0.077 -5.441 1.917) 5.770 4.814 ( 2.006 -8.037 0.855) 8.328 4.858 ( 3.692 -7.748 6.199) 10.588 4.896 ( 0.904 -6.234 0.665) 6.334 5.011 ( 0.470 -3.620 5.835) 6.883 5.023 ( -3.889 -4.604 3.148) 6.799 5.073 ( -1.116 -0.757 -1.070) 1.722 5.161 ( -1.600 -4.438 -4.135) 6.273 5.199 ( 0.680 -10.507 8.581) 13.583 5.300 ( -0.127 -3.425 -6.199) 7.084 5.426 ( -1.226 -8.731 -1.517) 8.947 5.474 ( -0.233 -3.093 7.842) 8.433 5.524 ( 4.665 0.110 0.176) 4.669 5.593 ( -0.663 0.126 -6.171) 6.208 5.704 ( 2.217 -6.380 3.849) 7.774 5.728 ( 0.235 -1.337 -3.126) 3.408 5.753 ( -5.492 -2.608 0.557) 6.105 5.825 ( -4.445 0.197 -1.762) 4.785 5.893 ( -3.450 0.589 -1.121) 3.675 5.912 ( 0.192 4.600 -0.919) 4.695 6.022 ( 2.205 -1.729 -0.634) 2.873 6.041 ( -6.230 5.680 1.836) 8.628 6.130 ( 4.971 -6.082 -3.233) 8.495 6.231 ( 4.854 4.823 0.631) 6.872 6.289 ( -2.094 0.159 -1.366) 2.505 6.374 ( 2.007 -1.428 -0.949) 2.640 6.519 ( 2.135 5.341 0.596) 5.783 6.542 ( -0.729 2.006 -4.084) 4.608 6.639 ( -4.462 2.985 -0.602) 5.402 6.678 ( -3.384 9.408 1.105) 10.059 6.774 ( 5.072 -3.955 -0.419) 6.445 6.799 ( -8.217 8.141 0.235) 11.569 6.935 ( 1.323 7.368 -1.351) 7.606 6.994 ( 2.356 -2.508 2.780) 4.424 7.047 ( 0.952 -2.924 3.456) 4.626 7.103 ( 0.361 -3.760 3.812) 5.366 7.186 ( 0.935 2.961 1.648) 3.515 7.201 ( 2.478 -0.842 -5.344) 5.950 7.380 ( -4.811 -7.620 -4.344) 10.004 7.445 ( 3.462 -2.983 -1.419) 4.786 7.521 ( -8.207 -5.634 -0.941) 9.999 7.603 ( 5.402 -5.692 -0.406) 7.858 7.637 ( -1.173 -3.301 4.402) 5.626 7.698 ( 0.355 3.500 -1.330) 3.761 7.705 ( 1.227 4.116 -1.575) 4.575 7.804 ( -1.575 -5.345 2.686) 6.186 7.833 ( -2.398 0.291 7.780) 8.146 7.963 ( 1.611 -6.599 -0.030) 6.793 7.987 ( -7.679 4.449 -5.679) 10.536 8.051 ( -4.435 3.610 -5.847) 8.179 8.129 ( 6.433 -3.314 0.629) 7.264 8.235 ( -3.570 7.307 1.492) 8.268 8.350 ( 0.045 0.598 -1.999) 2.087 8.409 ( 0.414 -1.085 -0.628) 1.320 8.454 ( -0.278 1.347 1.737) 2.215 8.596 ( -1.340 2.014 -5.093) 5.638 8.703 ( 1.874 6.578 -0.126) 6.841 8.759 ( 4.300 0.971 -7.028) 8.296 8.836 ( 1.253 6.872 -4.483) 8.300 8.880 ( -3.970 7.487 3.452) 9.151 8.891 ( -0.764 12.126 1.231) 12.212 9.043 ( 2.029 5.640 2.798) 6.615 9.077 ( 2.947 4.842 0.785) 5.722 9.158 ( 3.810 -0.958 1.381) 4.164 9.179 ( -2.483 1.150 -1.132) 2.961 9.234 ( 1.709 1.809 -0.595) 2.559 9.333 ( -2.081 0.261 -0.150) 2.102 9.500 ( 1.878 0.380 -1.807) 2.634 9.538 ( 1.155 0.891 -3.513) 3.804 9.591 ( -1.678 1.900 3.112) 4.014 9.685 ( -0.244 5.042 0.473) 5.070 9.780 ( 2.614 4.767 7.229) 9.045 9.852 ( 1.507 7.651 2.256) 8.118 9.910 ( 0.787 6.705 4.856) 8.316 10.031 ( 5.046 2.601 5.425) 7.852 10.222 ( -3.298 6.260 -3.401) 7.850 10.299 ( -3.644 6.995 -0.063) 7.888 10.416 ( 3.631 3.232 -0.494) 4.886 10.501 ( -2.562 -1.804 -5.478) 6.310 10.867 ( 0.864 0.661 4.954) 5.072 11.046 ( 2.786 -6.042 0.216) 6.657 11.151 ( 4.001 1.552 3.707) 5.671 11.188 ( -4.466 -1.431 4.193) 6.291 11.300 ( -0.643 -2.570 1.224) 2.919 11.338 ( -3.577 -3.688 -3.225) 6.066 11.471 ( -2.394 3.546 -0.489) 4.306 11.565 ( 5.174 -3.022 -9.630) 11.342 11.714 ( 5.809 -6.343 2.458) 8.945 11.858 ( -9.638 -3.629 1.255) 10.375 11.930 ( -3.638 -3.789 -1.676) 5.513 12.011 ( 9.211 -1.543 -1.755) 9.503 12.098 ( -2.810 -6.890 2.297) 7.787 12.180 ( -0.577 -5.326 -3.510) 6.405 12.327 ( -0.353 -3.872 1.908) 4.331 12.424 ( 0.775 -6.106 -3.572) 7.116 12.697 ( 0.539 -4.028 1.202) 4.238 12.801 ( 1.197 -4.174 -4.172) 6.021 12.900 ( -2.305 -7.385 0.125) 7.738 12.932 ( 2.807 -8.969 -0.302) 9.403 13.192 ( -0.088 1.977 -0.937) 2.189 13.329 ( 1.548 10.598 -3.378) 11.231 13.406 ( 0.270 11.338 2.478) 11.608 13.463 ( -10.549 16.224 -7.276) 20.675 13.526 ( 3.920 8.397 -2.525) 9.605 13.596 ( -0.071 7.451 1.216) 7.550 13.677 ( 1.986 8.588 -3.248) 9.394 13.761 ( -0.242 5.362 -1.625) 5.608 13.904 ( 0.065 1.799 0.455) 1.857 13.942 ( 1.245 3.262 -1.879) 3.965 14.054 ( -1.117 -0.092 0.458) 1.210 14.080 ( 1.058 1.838 -0.640) 2.216 15.135 ( 0.363 1.045 0.473) 1.203 15.189 ( -0.925 -0.215 2.209) 2.404 15.206 ( -0.178 0.602 -2.744) 2.815 15.248 ( 1.124 1.010 -0.813) 1.716 15.579 ( 0.551 1.147 -0.260) 1.299 15.606 ( 0.226 1.624 -2.552) 3.033 15.850 ( 1.055 -1.851 0.283) 2.149 15.856 ( -2.499 -3.648 0.282) 4.430 15.893 ( -0.588 -2.812 3.138) 4.254 16.050 ( 0.993 3.382 -9.100) 9.759 17.480 ( -4.583 -44.541 32.107) 55.098 17.923 ( 2.536 -33.771 -3.193) 34.016 18.300 ( -6.476 1.122 0.522) 6.593 18.337 ( 8.101 1.450 -1.915) 8.449 18.443 ( 0.339 3.154 0.995) 3.325 18.472 ( -4.579 0.782 1.943) 5.035 18.589 ( 3.047 1.748 1.704) 3.904 18.682 ( -0.562 -4.651 -1.633) 4.961 18.729 ( 1.063 -1.348 0.885) 1.932 18.771 ( 1.117 1.518 -1.222) 2.246 19.043 ( 0.273 2.153 1.033) 2.403 19.091 ( -0.692 1.493 -0.993) 1.922 19.311 ( -2.986 -2.974 0.117) 4.216 19.331 ( 2.284 -3.616 -0.387) 4.295 21.266 ( -2.721 17.186 4.861) 18.066 21.390 ( 2.679 1.391 5.739) 6.484 21.601 ( -2.700 3.186 -7.922) 8.956 21.789 ( 5.701 16.901 -19.153) 26.172 23.321 ( 0.613 0.645 1.563) 1.798 23.380 ( -0.739 1.980 -1.612) 2.658 23.534 ( -0.819 -0.835 0.635) 1.330 23.575 ( 0.627 -1.206 -1.145) 1.777 23.640 ( 0.835 -1.585 0.875) 1.994 23.674 ( -0.220 -0.318 -0.607) 0.720 23.945 ( 1.728 -7.170 6.450) 9.798 24.009 ( -0.480 -2.564 0.106) 2.610 ======================= Grid point 70 (28/70) ======================= q-point: ( 0.17 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 7.040 13.490 24.700) 29.011 1.417 ( 12.090 17.992 20.290) 29.691 1.558 ( 4.150 8.674 -21.233) 23.309 1.712 ( 9.141 19.068 -19.770) 28.948 2.236 ( 15.120 21.783 30.727) 40.587 2.326 ( -6.114 3.306 3.694) 7.872 2.436 ( -3.746 2.719 -6.121) 7.674 2.463 ( -7.120 2.955 -0.085) 7.709 2.497 ( 1.392 7.160 -0.383) 7.304 2.641 ( -1.999 2.220 -1.216) 3.226 2.678 ( -2.005 -1.343 -4.614) 5.207 2.872 ( -2.994 2.655 -1.646) 4.327 2.927 ( -0.908 11.121 -4.418) 12.001 2.990 ( 2.785 1.344 -2.753) 4.140 3.080 ( 0.125 -4.437 -1.447) 4.669 3.103 ( 3.400 0.679 2.492) 4.270 3.285 ( -4.601 4.168 2.887) 6.847 3.330 ( 2.407 4.031 -2.734) 5.434 3.394 ( -3.378 -2.313 3.797) 5.584 3.427 ( 7.818 -2.935 -0.561) 8.369 3.504 ( 4.929 -1.123 -3.182) 5.974 3.609 ( -5.011 -10.469 1.159) 11.664 3.656 ( -2.772 -4.018 0.644) 4.924 3.795 ( -0.022 -0.933 -1.252) 1.562 3.879 ( -3.317 -2.473 -3.111) 5.176 3.893 ( -3.228 -0.212 -0.006) 3.235 4.016 ( 5.927 -5.046 7.610) 10.886 4.030 ( 1.491 -5.821 -5.943) 8.451 4.115 ( 1.360 -3.115 -5.151) 6.172 4.151 ( 5.265 -0.091 -1.192) 5.399 4.395 ( -3.244 -5.025 -2.082) 6.333 4.483 ( -3.713 -8.191 4.285) 9.962 4.593 ( -2.499 -5.847 -4.328) 7.692 4.701 ( -8.546 -1.207 -2.477) 8.979 4.723 ( 5.732 -6.777 2.305) 9.171 4.907 ( -0.257 -5.704 -1.175) 5.829 4.969 ( -1.528 -7.207 -3.121) 8.002 5.002 ( 1.375 -7.667 5.403) 9.480 5.079 ( 8.241 -6.289 -0.648) 10.387 5.160 ( -0.019 -1.440 4.545) 4.768 5.189 ( -3.344 -6.234 -1.233) 7.181 5.231 ( 7.477 -1.283 2.154) 7.886 5.310 ( 0.629 -1.430 1.409) 2.104 5.397 ( 1.652 -5.463 4.753) 7.427 5.488 ( -1.928 -1.219 -4.783) 5.299 5.507 ( -5.311 0.814 -1.129) 5.491 5.560 ( -6.059 -3.519 0.414) 7.019 5.666 ( -4.047 0.621 1.060) 4.229 5.691 ( 2.570 -6.354 3.444) 7.670 5.719 ( -1.107 -0.469 2.562) 2.830 5.832 ( 1.769 -1.602 -2.703) 3.606 5.887 ( 2.392 2.134 4.161) 5.252 5.922 ( -2.134 6.664 2.379) 7.390 5.985 ( -2.455 -2.190 1.884) 3.791 6.060 ( 4.868 -0.581 -1.557) 5.144 6.072 ( -6.847 -3.398 -5.441) 9.382 6.224 ( -2.510 4.144 -4.784) 6.809 6.254 ( -3.580 0.750 -6.329) 7.309 6.376 ( -1.967 3.552 4.094) 5.766 6.467 ( -4.108 3.497 2.556) 5.970 6.497 ( -0.381 -3.328 -4.766) 5.826 6.578 ( 0.618 6.000 3.011) 6.741 6.613 ( 4.330 5.967 -2.664) 7.839 6.764 ( -1.955 6.937 5.483) 9.056 6.856 ( 4.861 -2.605 -0.083) 5.516 6.928 ( -2.758 -0.550 -1.057) 3.005 7.048 ( -1.864 -5.231 2.725) 6.185 7.080 ( -2.283 -0.480 -2.696) 3.566 7.108 ( 4.092 1.915 0.297) 4.528 7.189 ( -1.732 -4.026 -4.859) 6.544 7.337 ( 2.311 -4.156 -0.025) 4.756 7.342 ( -1.310 -2.993 1.710) 3.687 7.404 ( 3.632 1.080 4.430) 5.829 7.498 ( -6.053 0.238 -1.922) 6.355 7.542 ( 2.018 -1.053 3.019) 3.781 7.636 ( -4.894 0.315 5.098) 7.074 7.671 ( 2.252 2.633 0.143) 3.468 7.749 ( 0.490 -2.474 -1.190) 2.789 7.776 ( -2.334 -8.085 -3.320) 9.047 7.844 ( -0.041 5.013 0.511) 5.039 7.934 ( -0.779 6.268 -0.236) 6.320 7.969 ( -0.857 -6.354 0.574) 6.437 8.027 ( 4.346 -3.889 5.756) 8.194 8.232 ( 5.942 1.342 -5.963) 8.525 8.284 ( -3.916 3.901 0.961) 5.611 8.377 ( 4.065 -1.502 3.148) 5.356 8.441 ( 0.596 3.463 0.358) 3.532 8.498 ( 10.725 -1.568 1.062) 10.890 8.566 ( 4.572 -0.755 0.585) 4.671 8.696 ( 0.896 -0.056 -6.704) 6.764 8.788 ( 3.576 8.139 1.036) 8.950 8.800 ( 2.477 0.333 -6.495) 6.959 8.898 ( 3.779 6.900 4.144) 8.892 8.992 ( 3.272 3.227 3.094) 5.539 9.084 ( 0.693 8.309 -2.543) 8.717 9.101 ( 0.004 -2.026 1.674) 2.628 9.148 ( 2.604 2.879 -1.823) 4.289 9.178 ( 4.916 -0.223 0.866) 4.997 9.268 ( 1.683 4.061 -1.583) 4.673 9.415 ( 7.211 2.244 -0.765) 7.591 9.517 ( 6.000 2.622 -1.281) 6.672 9.547 ( 0.124 8.814 -1.042) 8.877 9.622 ( 3.473 -0.776 1.431) 3.836 9.665 ( -0.388 4.711 -2.209) 5.218 9.835 ( -0.103 6.104 1.904) 6.395 9.898 ( 0.741 8.786 -1.000) 8.874 9.960 ( -5.180 2.459 2.844) 6.401 10.102 ( -3.856 4.657 -0.618) 6.078 10.157 ( 0.051 -2.740 -0.637) 2.813 10.251 ( 1.508 4.616 -0.927) 4.944 10.368 ( -3.239 8.676 -1.690) 9.414 10.524 ( 6.500 1.745 1.580) 6.913 10.829 ( -13.905 -1.080 -1.272) 14.005 10.947 ( -9.282 -2.281 -0.110) 9.559 11.108 ( -2.958 -0.256 0.918) 3.108 11.183 ( -4.067 -4.822 2.432) 6.760 11.320 ( 1.727 2.881 5.136) 6.137 11.367 ( -3.846 4.618 -4.144) 7.300 11.373 ( 1.381 -3.019 -1.085) 3.493 11.593 ( 5.709 -0.855 -4.575) 7.366 11.655 ( -13.910 -0.747 1.324) 13.993 11.810 ( 1.659 -6.785 2.753) 7.507 11.822 ( -4.549 -4.121 -2.582) 6.659 12.047 ( 0.139 -0.289 0.461) 0.561 12.158 ( 2.529 -6.287 1.758) 7.001 12.252 ( 11.065 -6.064 -1.578) 12.716 12.382 ( 3.630 -7.808 1.290) 8.706 12.431 ( 4.543 -5.383 -2.347) 7.425 12.634 ( -5.978 -4.759 -0.064) 7.641 12.770 ( -4.203 -2.809 0.468) 5.077 12.868 ( 1.567 -5.347 -2.023) 5.928 12.952 ( -1.588 -11.300 -1.145) 11.468 13.205 ( 1.238 1.973 1.624) 2.839 13.259 ( 1.721 10.899 -3.647) 11.621 13.412 ( 1.994 9.017 2.329) 9.524 13.482 ( 3.394 12.704 4.838) 14.011 13.564 ( 2.528 9.835 -1.373) 10.247 13.613 ( 0.569 8.373 0.851) 8.435 13.663 ( -1.400 3.655 -0.922) 4.021 13.741 ( 1.420 6.781 -3.081) 7.582 13.862 ( -4.302 3.342 0.759) 5.500 13.921 ( -1.112 2.809 -1.733) 3.483 14.040 ( -1.102 0.292 0.610) 1.293 14.068 ( -1.239 1.740 -0.821) 2.289 15.187 ( 3.817 0.617 0.562) 3.908 15.215 ( 4.651 -0.230 -0.736) 4.715 15.281 ( 7.462 -2.703 -0.258) 7.940 15.334 ( 8.465 -0.086 -2.312) 8.776 15.586 ( 0.764 0.316 0.032) 0.827 15.591 ( 0.870 1.322 -2.726) 3.152 15.801 ( -2.335 -2.781 0.406) 3.654 15.898 ( 0.150 1.315 1.646) 2.112 15.951 ( 4.057 -0.486 2.183) 4.632 16.026 ( 5.717 -4.186 -2.940) 7.672 17.327 ( -29.599 -31.412 9.255) 44.141 17.703 ( -33.011 -23.956 -0.357) 40.789 18.197 ( 0.862 -2.313 0.510) 2.520 18.322 ( 0.161 0.546 1.968) 2.049 18.446 ( -0.314 3.168 0.265) 3.195 18.544 ( 4.634 0.809 -1.200) 4.855 18.631 ( 1.141 -0.226 0.363) 1.219 18.733 ( 2.552 -3.223 1.043) 4.242 18.754 ( 1.356 -0.559 -3.160) 3.484 18.796 ( 2.684 -0.212 -0.089) 2.694 19.056 ( -0.443 1.069 0.470) 1.249 19.077 ( 0.260 1.731 -0.057) 1.751 19.262 ( -2.353 -2.067 0.170) 3.136 19.342 ( -1.072 -2.472 -0.044) 2.695 21.357 ( 5.249 10.055 6.281) 12.966 21.502 ( 1.793 -1.688 -4.968) 5.545 21.514 ( 1.458 4.576 4.364) 6.489 21.765 ( 10.786 13.553 -12.296) 21.242 23.330 ( -1.247 0.709 0.126) 1.440 23.351 ( -1.584 0.253 -0.145) 1.611 23.510 ( -1.946 -0.479 0.648) 2.107 23.557 ( -1.339 -2.208 -0.758) 2.691 23.684 ( 3.946 -0.420 0.371) 3.986 23.708 ( 3.797 -0.324 -0.377) 3.829 23.976 ( -2.963 -4.155 1.905) 5.447 23.985 ( -1.690 -2.678 -0.750) 3.254 ======================= Grid point 71 (29/70) ======================= q-point: ( 0.33 0.11 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 20.564 8.522 -11.663) 25.130 1.690 ( 15.355 10.854 3.420) 19.112 1.734 ( 14.070 11.182 1.582) 18.042 1.885 ( 10.115 15.580 15.683) 24.310 2.129 ( -14.658 5.609 -3.403) 16.059 2.219 ( -11.191 5.529 -6.658) 14.147 2.298 ( -10.192 3.233 -0.532) 10.706 2.404 ( -5.676 4.834 1.479) 7.601 2.543 ( -4.305 4.834 -0.201) 6.476 2.599 ( 7.368 3.370 -8.813) 11.972 2.763 ( 2.256 -0.869 -1.925) 3.090 2.854 ( 1.890 -0.449 4.992) 5.357 2.976 ( 2.863 2.538 3.252) 5.021 2.995 ( 6.218 5.989 -6.112) 10.578 3.037 ( -1.714 0.545 -1.409) 2.285 3.155 ( -0.232 0.303 -2.503) 2.532 3.250 ( -2.526 0.322 4.888) 5.512 3.333 ( -3.747 -1.914 -0.236) 4.214 3.435 ( 3.969 1.620 2.514) 4.970 3.491 ( -2.600 -8.327 2.883) 9.188 3.551 ( 6.949 -1.370 -1.119) 7.171 3.637 ( 1.487 -4.243 0.346) 4.509 3.714 ( 10.213 0.094 3.973) 10.959 3.765 ( -2.685 -3.232 3.261) 5.319 3.813 ( -0.265 -2.310 0.732) 2.437 3.855 ( -4.519 -5.068 3.691) 7.729 3.977 ( 1.248 -4.910 -4.851) 7.014 4.071 ( 1.260 -6.230 -0.778) 6.404 4.170 ( 4.023 2.011 0.186) 4.501 4.286 ( 1.406 -6.131 0.307) 6.298 4.333 ( -7.084 -1.063 2.227) 7.502 4.372 ( -4.691 3.957 -2.177) 6.511 4.571 ( 1.307 -5.512 2.612) 6.238 4.603 ( 3.989 -2.010 -1.971) 4.882 4.746 ( -5.112 -10.648 -0.431) 11.820 4.865 ( -3.425 -0.983 -0.887) 3.672 4.906 ( -4.320 -8.545 0.639) 9.596 5.051 ( -6.699 -6.445 -0.700) 9.322 5.081 ( 0.912 -3.487 -3.638) 5.121 5.133 ( 0.043 -8.777 4.299) 9.773 5.195 ( 4.976 -7.134 -2.826) 9.145 5.276 ( -1.011 -0.811 3.016) 3.282 5.322 ( -1.457 -4.375 -3.953) 6.074 5.436 ( -6.411 0.073 1.691) 6.631 5.446 ( -1.025 -0.988 0.629) 1.557 5.477 ( -0.307 2.175 6.195) 6.573 5.552 ( 1.823 2.097 -3.657) 4.593 5.631 ( -3.376 1.514 -2.380) 4.399 5.711 ( 6.411 1.247 2.202) 6.893 5.720 ( -8.088 -2.008 -0.101) 8.334 5.813 ( -5.183 1.941 -0.712) 5.580 5.836 ( -1.131 -0.301 3.034) 3.252 5.918 ( -1.363 4.358 3.985) 6.060 5.939 ( 2.455 1.620 -7.223) 7.799 6.014 ( -1.440 -3.526 2.515) 4.564 6.048 ( -1.194 3.128 4.014) 5.227 6.207 ( 2.084 -1.208 -3.102) 3.927 6.224 ( 3.361 6.687 5.869) 9.511 6.396 ( -0.467 -13.057 -4.493) 13.816 6.443 ( 8.265 1.104 -3.501) 9.043 6.517 ( -2.293 -4.544 2.618) 5.724 6.602 ( 2.607 1.995 -0.593) 3.336 6.708 ( 2.289 -0.513 1.610) 2.845 6.770 ( -2.731 0.233 -2.603) 3.780 6.795 ( -5.539 -3.248 0.818) 6.473 6.974 ( 1.172 -2.595 1.126) 3.062 6.998 ( -1.777 -4.577 -1.716) 5.201 7.049 ( -1.342 -3.361 0.633) 3.674 7.116 ( -0.839 2.071 2.498) 3.351 7.178 ( -1.149 0.495 -1.657) 2.076 7.228 ( 0.471 5.437 -3.173) 6.313 7.302 ( -0.086 3.011 -1.682) 3.450 7.349 ( -2.744 -1.192 -5.084) 5.899 7.498 ( -4.158 -5.738 -0.065) 7.087 7.534 ( -2.290 14.300 -2.572) 14.708 7.629 ( -3.831 10.092 -1.440) 10.890 7.665 ( -5.308 -8.082 2.441) 9.972 7.745 ( -3.398 3.561 5.129) 7.109 7.853 ( 5.807 -0.500 6.101) 8.438 7.890 ( 1.146 0.245 0.128) 1.179 7.975 ( 0.184 -3.024 3.903) 4.941 8.037 ( -1.894 -2.637 -3.505) 4.778 8.040 ( 8.140 -9.603 7.508) 14.658 8.209 ( -0.246 -1.989 1.428) 2.460 8.287 ( 1.308 5.205 -2.897) 6.098 8.364 ( 4.042 1.481 -3.626) 5.628 8.599 ( 1.516 -3.731 5.839) 7.093 8.637 ( 1.260 -3.986 -1.503) 4.442 8.655 ( 3.490 -0.639 4.116) 5.434 8.723 ( 7.724 -8.805 -1.035) 11.759 8.785 ( 1.706 3.055 0.558) 3.543 8.873 ( 7.959 -0.280 -1.119) 8.042 8.995 ( 0.429 1.476 0.603) 1.651 9.047 ( 2.522 -1.230 1.237) 3.066 9.084 ( -0.065 5.269 -0.031) 5.269 9.113 ( 0.413 3.053 -4.969) 5.847 9.184 ( 4.996 7.400 -0.664) 8.953 9.291 ( 4.862 -2.087 -0.940) 5.373 9.332 ( 5.670 5.886 -1.106) 8.247 9.472 ( 1.931 5.902 -2.699) 6.772 9.560 ( 0.662 3.628 -1.532) 3.993 9.610 ( 3.739 3.201 1.126) 5.049 9.670 ( 6.581 4.463 1.249) 8.049 9.745 ( 4.603 4.027 2.255) 6.518 9.775 ( 0.169 7.823 -2.101) 8.102 9.907 ( -1.492 1.380 -4.102) 4.578 9.933 ( 0.335 2.750 3.105) 4.161 9.992 ( -3.409 1.420 -2.735) 4.595 10.091 ( -3.594 5.883 2.876) 7.470 10.288 ( 0.810 9.241 -0.165) 9.278 10.355 ( -2.439 6.113 -2.119) 6.914 10.515 ( -5.646 8.818 -4.082) 11.238 10.696 ( -4.041 -5.642 6.060) 9.213 10.788 ( -6.738 0.273 2.935) 7.355 10.964 ( -2.990 4.212 -8.034) 9.551 11.178 ( -2.796 3.388 -0.949) 4.494 11.277 ( -1.796 1.072 0.034) 2.092 11.339 ( -5.665 -1.288 1.357) 5.966 11.383 ( -2.096 -4.255 3.239) 5.744 11.486 ( -4.402 2.395 2.175) 5.463 11.624 ( 1.846 -1.531 -1.435) 2.795 11.727 ( -1.437 -4.428 -4.549) 6.509 11.862 ( -0.100 -5.885 3.721) 6.963 12.052 ( 0.145 0.008 -0.697) 0.712 12.236 ( 2.923 -5.420 1.728) 6.396 12.386 ( 4.848 -6.233 -2.157) 8.186 12.448 ( 2.586 -5.358 1.777) 6.209 12.525 ( 0.469 -2.266 0.291) 2.332 12.556 ( 5.092 -9.471 -1.075) 10.807 12.701 ( -3.493 -3.618 0.820) 5.095 12.864 ( -2.011 -12.203 0.244) 12.370 12.876 ( -3.785 -7.861 -0.218) 8.728 13.266 ( 3.881 4.978 -0.344) 6.321 13.294 ( 3.829 3.077 -2.037) 5.317 13.462 ( 0.942 6.052 -0.205) 6.128 13.562 ( 0.381 10.319 -3.237) 10.821 13.583 ( 0.473 8.118 2.754) 8.586 13.613 ( -1.999 4.515 -1.607) 5.193 13.665 ( 2.575 8.947 3.959) 10.117 13.741 ( 1.351 6.501 1.275) 6.761 13.816 ( -1.920 6.559 0.487) 6.852 13.886 ( -0.698 5.346 -0.257) 5.397 14.021 ( -2.149 0.780 -0.015) 2.286 14.038 ( -0.530 1.198 -0.237) 1.331 15.276 ( 5.081 -1.996 0.872) 5.529 15.316 ( 6.844 -1.502 -0.279) 7.013 15.379 ( 3.519 -2.195 -2.790) 4.999 15.449 ( 2.633 -4.858 3.483) 6.532 15.570 ( 2.285 -0.257 -0.812) 2.439 15.630 ( 3.579 1.108 1.239) 3.946 15.770 ( -2.414 -1.280 0.744) 2.832 15.909 ( -1.118 1.770 2.348) 3.146 16.089 ( 10.113 -6.109 1.057) 11.862 16.195 ( 14.622 -3.421 1.209) 15.065 16.812 ( -29.436 -11.166 -7.994) 32.482 17.119 ( -31.136 -12.483 1.430) 33.576 18.174 ( -4.096 0.259 2.894) 5.022 18.404 ( 3.067 0.541 1.528) 3.469 18.427 ( -0.681 1.730 -0.802) 2.025 18.577 ( 2.686 -3.848 -3.401) 5.795 18.667 ( 2.066 0.687 -0.445) 2.223 18.730 ( 1.038 0.964 -3.001) 3.318 18.779 ( 2.086 -1.939 0.824) 2.964 18.826 ( 0.199 1.194 1.235) 1.729 19.045 ( -0.226 2.090 -0.502) 2.161 19.078 ( -1.532 -3.291 0.983) 3.761 19.240 ( -0.344 -0.240 0.128) 0.439 19.308 ( -2.479 -0.229 0.079) 2.491 21.454 ( 1.827 -2.926 -2.689) 4.374 21.496 ( 2.768 2.583 -1.359) 4.022 21.625 ( 2.227 3.278 7.375) 8.372 21.828 ( 6.003 3.918 -2.999) 7.770 23.278 ( -2.343 -1.316 -0.913) 2.838 23.342 ( -0.577 1.964 0.618) 2.139 23.497 ( -0.662 -1.117 0.543) 1.408 23.521 ( -1.223 -2.735 -0.822) 3.107 23.744 ( 3.875 -0.327 -1.485) 4.163 23.800 ( 5.094 0.136 1.265) 5.251 23.929 ( -2.959 -1.462 -0.261) 3.311 23.937 ( -2.637 -1.316 -0.729) 3.036 ======================= Grid point 72 (30/70) ======================= q-point: (-0.50 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -18.614 10.363 -3.858) 21.650 1.767 ( -9.513 14.491 -6.369) 18.468 1.860 ( 10.876 7.595 -5.533) 14.373 1.929 ( 20.155 8.312 -8.931) 23.560 2.105 ( -6.431 2.662 4.894) 8.508 2.149 ( 4.572 4.838 7.380) 9.939 2.242 ( 0.053 7.486 11.242) 13.506 2.352 ( -2.918 12.573 8.262) 15.325 2.520 ( 3.164 5.971 -0.310) 6.764 2.629 ( -0.500 0.462 -7.333) 7.365 2.772 ( -0.745 -6.437 0.723) 6.520 2.810 ( 2.649 -3.120 -3.449) 5.353 2.926 ( -9.318 0.296 -1.913) 9.516 3.042 ( -4.874 4.013 3.750) 7.343 3.080 ( -2.526 -0.979 0.088) 2.711 3.146 ( 14.098 1.654 -8.739) 16.670 3.210 ( 0.045 1.571 -0.450) 1.635 3.319 ( 2.348 -5.171 -1.482) 5.870 3.387 ( -3.397 -8.439 -2.454) 9.422 3.490 ( -1.777 0.051 -5.545) 5.823 3.555 ( -0.935 -5.185 1.430) 5.459 3.681 ( -1.009 -3.878 3.016) 5.015 3.752 ( -4.578 -1.967 1.975) 5.360 3.796 ( 0.851 -0.161 -1.401) 1.647 3.850 ( 1.177 -2.918 1.877) 3.664 3.945 ( -4.356 -6.837 9.248) 12.298 3.998 ( 5.043 -1.350 -1.630) 5.469 4.152 ( 6.922 1.464 3.260) 7.790 4.200 ( -6.500 3.861 1.819) 7.775 4.237 ( 3.671 -4.535 -1.916) 6.141 4.298 ( 5.158 0.842 6.779) 8.560 4.389 ( -0.536 0.893 2.557) 2.761 4.559 ( -1.161 -2.872 -0.157) 3.102 4.693 ( 2.292 -5.342 2.558) 6.351 4.716 ( 2.137 -3.995 -7.097) 8.420 4.740 ( -7.616 -0.228 -0.852) 7.667 4.831 ( 2.968 -1.122 0.239) 3.182 5.010 ( -1.628 -9.621 4.073) 10.574 5.043 ( -2.581 -6.039 -4.386) 7.897 5.136 ( -0.998 -9.097 3.795) 9.907 5.244 ( -0.300 -2.972 -1.153) 3.202 5.276 ( -0.714 -2.147 -0.943) 2.451 5.309 ( 1.179 -4.170 0.983) 4.443 5.374 ( -2.165 -3.012 0.641) 3.764 5.410 ( 1.216 -5.569 1.808) 5.980 5.496 ( 0.330 2.543 -6.304) 6.806 5.544 ( 0.395 -0.914 -6.114) 6.195 5.584 ( 0.220 4.733 1.859) 5.090 5.684 ( 2.249 -3.460 3.772) 5.591 5.708 ( 0.529 -3.356 4.958) 6.010 5.761 ( -1.057 -1.933 -2.918) 3.657 5.818 ( -4.105 1.430 -3.718) 5.720 5.948 ( 0.754 0.829 2.503) 2.742 6.007 ( -0.075 1.681 -1.278) 2.113 6.030 ( -5.765 6.108 4.363) 9.464 6.111 ( 3.682 7.247 7.055) 10.763 6.176 ( -4.562 3.458 2.177) 6.124 6.312 ( 7.312 -0.552 1.221) 7.434 6.440 ( 0.089 -1.009 1.605) 1.899 6.452 ( 4.666 -9.202 3.342) 10.845 6.576 ( 7.738 -8.498 -2.510) 11.764 6.598 ( -5.277 -0.084 -7.834) 9.446 6.657 ( -2.515 -0.077 -1.373) 2.867 6.721 ( -0.345 -8.456 2.292) 8.768 6.771 ( -0.668 -1.726 -2.819) 3.373 6.881 ( -1.408 -4.743 -1.682) 5.226 6.973 ( -0.728 0.319 -1.737) 1.910 7.023 ( -6.284 3.000 -5.835) 9.085 7.098 ( 1.445 -2.235 -4.069) 4.862 7.149 ( 3.658 -2.336 1.672) 4.651 7.247 ( 3.252 7.397 -3.368) 8.754 7.304 ( 0.921 7.136 1.672) 7.386 7.350 ( -6.017 -0.042 -2.860) 6.663 7.407 ( 6.842 0.292 2.629) 7.336 7.468 ( -1.171 14.714 -5.867) 15.884 7.545 ( -2.370 1.592 -5.599) 6.284 7.622 ( -0.728 2.757 5.288) 6.008 7.755 ( -2.200 -5.865 3.281) 7.071 7.860 ( -2.981 6.967 0.225) 7.581 7.967 ( 1.651 -3.351 2.813) 4.676 7.999 ( -3.118 -7.993 3.014) 9.093 8.078 ( 5.022 -0.529 3.161) 5.958 8.102 ( -1.259 -6.477 3.619) 7.526 8.246 ( -3.152 0.813 6.133) 6.943 8.340 ( 1.996 -2.273 -2.782) 4.110 8.477 ( 4.796 3.442 0.224) 5.908 8.520 ( -3.925 2.594 3.487) 5.856 8.648 ( -0.738 -4.452 0.587) 4.551 8.734 ( -3.917 -0.668 0.865) 4.067 8.800 ( 0.260 -6.379 1.044) 6.469 8.832 ( 1.007 1.826 2.284) 3.093 8.940 ( 2.263 1.218 -1.364) 2.909 9.001 ( -3.327 -0.827 3.020) 4.568 9.047 ( 3.314 1.954 -5.957) 7.091 9.068 ( 0.448 -4.332 3.252) 5.435 9.114 ( 3.395 -2.449 -1.558) 4.467 9.239 ( -1.652 7.232 -0.550) 7.439 9.307 ( -0.628 -1.211 -3.964) 4.193 9.355 ( 0.469 5.800 -3.474) 6.776 9.393 ( -0.914 2.149 -9.961) 10.231 9.581 ( -1.309 4.335 1.662) 4.823 9.672 ( 2.345 3.428 -1.331) 4.361 9.698 ( -0.122 6.418 2.568) 6.913 9.772 ( -2.702 3.470 2.228) 4.930 9.804 ( -1.235 4.219 -0.527) 4.428 9.907 ( 2.046 2.619 1.330) 3.580 9.934 ( 3.022 1.705 0.210) 3.476 10.042 ( -5.227 -0.492 0.500) 5.274 10.091 ( 3.778 3.546 5.517) 7.568 10.286 ( 4.360 2.607 -3.329) 6.073 10.292 ( -0.619 11.518 -0.011) 11.535 10.423 ( 0.489 14.955 -4.262) 15.558 10.638 ( -4.876 0.967 1.243) 5.123 10.694 ( -1.196 1.312 -2.063) 2.721 11.049 ( 12.857 3.559 2.799) 13.631 11.134 ( -5.452 1.259 -3.087) 6.390 11.232 ( 1.809 -1.851 -0.978) 2.767 11.263 ( -5.211 -0.145 1.853) 5.533 11.325 ( -1.853 5.601 1.060) 5.994 11.555 ( -0.563 -2.522 7.649) 8.073 11.636 ( 2.293 -3.057 -3.142) 4.948 11.668 ( 1.433 -3.313 -3.909) 5.321 11.889 ( -1.123 -4.328 2.864) 5.311 12.024 ( -0.236 -0.424 -3.765) 3.796 12.255 ( -2.176 -4.298 1.611) 5.080 12.388 ( 2.385 -9.173 -3.298) 10.036 12.505 ( 0.162 -3.239 2.603) 4.158 12.537 ( -0.860 -4.910 0.075) 4.985 12.636 ( 2.577 -9.655 -0.115) 9.993 12.642 ( -3.949 -1.279 -1.673) 4.476 12.855 ( 1.839 -10.466 3.747) 11.267 12.885 ( 0.664 -14.021 3.023) 14.358 13.288 ( 0.733 6.760 -2.121) 7.123 13.327 ( 1.730 4.961 -1.284) 5.409 13.408 ( -1.801 5.353 -5.322) 7.761 13.457 ( -2.887 1.295 -5.934) 6.725 13.614 ( -1.870 7.176 1.890) 7.652 13.634 ( 2.824 10.591 1.358) 11.045 13.725 ( 0.256 7.604 3.048) 8.196 13.768 ( -0.824 7.323 2.103) 7.664 13.833 ( -1.213 8.132 3.160) 8.808 13.899 ( 2.270 5.763 0.884) 6.257 14.003 ( 0.142 0.798 0.749) 1.103 14.029 ( -0.034 1.346 -0.714) 1.524 15.332 ( -1.596 -2.017 0.257) 2.585 15.371 ( 1.454 -2.360 -1.983) 3.408 15.408 ( -0.760 -2.652 -0.092) 2.761 15.432 ( 0.731 -3.066 0.066) 3.153 15.675 ( 4.568 -3.727 3.293) 6.753 15.718 ( -3.013 -2.403 3.363) 5.115 15.777 ( 3.494 -0.275 7.159) 7.971 15.924 ( -1.975 2.105 5.198) 5.945 16.217 ( -3.900 -7.652 -4.800) 9.839 16.263 ( -8.497 -3.798 -10.147) 13.770 16.575 ( 20.439 -3.078 3.495) 20.963 16.714 ( -11.030 -11.066 -3.687) 16.054 18.158 ( -2.120 2.272 4.236) 5.253 18.380 ( 0.158 3.191 -4.902) 5.851 18.445 ( -1.834 -0.347 2.676) 3.262 18.585 ( 2.552 -4.162 -2.962) 5.711 18.667 ( -0.484 -1.145 -0.819) 1.489 18.729 ( 2.341 2.285 -3.426) 4.737 18.824 ( -0.748 2.722 1.356) 3.132 18.828 ( -0.128 -1.376 1.630) 2.137 19.050 ( -0.009 0.352 0.266) 0.442 19.054 ( -0.202 -4.490 0.047) 4.495 19.248 ( 0.153 0.635 0.411) 0.772 19.273 ( -0.343 0.527 -0.537) 0.827 21.441 ( -0.514 -1.503 -1.997) 2.552 21.494 ( 0.709 2.319 -4.062) 4.731 21.696 ( -4.310 -0.500 8.325) 9.388 21.906 ( 5.468 0.359 -0.263) 5.486 23.271 ( 1.311 -1.179 1.318) 2.201 23.324 ( -1.079 1.423 -1.034) 2.064 23.493 ( -0.324 -1.620 0.132) 1.658 23.508 ( 0.574 -2.727 -0.498) 2.831 23.795 ( 3.289 0.126 -0.878) 3.407 23.829 ( -2.336 0.405 -1.801) 2.978 23.876 ( -4.269 -0.799 1.637) 4.641 23.925 ( 3.148 -0.755 -0.591) 3.291 ======================= Grid point 73 (31/70) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -25.931 16.401 2.995) 30.828 1.387 ( -21.702 21.202 -3.871) 30.586 2.017 ( 0.430 6.915 0.416) 6.941 2.097 ( -0.911 2.039 1.000) 2.447 2.163 ( 9.883 10.236 -4.166) 14.826 2.195 ( -7.208 11.309 -0.042) 13.411 2.259 ( -10.178 10.546 4.012) 15.196 2.402 ( -1.858 9.826 2.607) 10.335 2.463 ( 0.585 2.914 -6.399) 7.056 2.519 ( -1.469 1.953 -1.991) 3.152 2.623 ( 1.405 3.861 0.279) 4.118 2.827 ( 2.649 -0.067 0.046) 2.650 2.859 ( 1.698 0.056 -2.001) 2.625 3.022 ( 0.921 -5.143 -1.628) 5.472 3.110 ( 3.768 -0.253 1.776) 4.174 3.155 ( -1.120 0.721 8.013) 8.123 3.245 ( -1.680 0.197 -6.868) 7.073 3.354 ( 1.314 -5.724 -0.619) 5.905 3.450 ( 2.036 -4.940 -0.093) 5.344 3.507 ( 10.006 -3.849 3.445) 11.261 3.596 ( -2.777 -4.508 -2.403) 5.814 3.615 ( -1.066 -3.761 2.232) 4.501 3.737 ( -1.972 -5.381 1.707) 5.980 3.812 ( 3.801 -3.200 -0.280) 4.977 3.821 ( -3.563 -0.446 0.771) 3.673 3.932 ( -6.456 -3.301 4.141) 8.350 4.003 ( 0.581 -0.340 -1.678) 1.808 4.149 ( 1.080 1.566 0.230) 1.916 4.221 ( 0.642 -7.734 2.041) 8.024 4.317 ( 0.085 -0.797 1.760) 1.934 4.377 ( -1.637 -3.242 -2.536) 4.430 4.467 ( -0.082 -7.679 8.672) 11.584 4.591 ( 7.241 4.466 -3.735) 9.291 4.624 ( -1.249 -3.090 -1.078) 3.503 4.678 ( 4.648 -2.038 -3.003) 5.898 4.838 ( 2.612 -7.949 -1.386) 8.481 4.868 ( -1.909 -3.650 -1.429) 4.360 4.943 ( 2.526 1.602 0.955) 3.140 5.099 ( 0.088 -5.755 2.602) 6.316 5.151 ( -0.485 -7.572 -1.681) 7.772 5.236 ( -7.165 -4.454 -0.423) 8.447 5.271 ( 4.790 1.544 -2.537) 5.636 5.296 ( -0.442 -2.940 4.303) 5.230 5.385 ( 3.600 -1.354 6.511) 7.562 5.427 ( -3.369 -5.724 -5.320) 8.510 5.435 ( 4.485 -5.026 -0.652) 6.768 5.555 ( 3.508 -0.403 -2.594) 4.382 5.621 ( -4.861 -2.673 -0.889) 5.618 5.650 ( -3.760 0.864 0.644) 3.911 5.702 ( 3.226 -1.809 3.126) 4.843 5.760 ( 5.441 0.503 -2.587) 6.046 5.831 ( 4.542 -2.226 -2.576) 5.676 5.858 ( -2.697 0.656 2.473) 3.717 5.978 ( -1.152 3.683 4.943) 6.271 6.125 ( -4.445 4.677 4.301) 7.754 6.146 ( 2.530 -0.341 1.644) 3.037 6.277 ( -6.084 -3.019 -3.525) 7.652 6.368 ( 0.279 -0.742 -5.186) 5.246 6.377 ( 7.150 -0.305 5.841) 9.238 6.519 ( 2.424 -3.586 0.901) 4.421 6.570 ( -7.767 -6.741 -5.361) 11.598 6.581 ( -2.990 -0.698 -1.060) 3.248 6.642 ( 3.165 5.247 1.064) 6.220 6.658 ( 3.704 -2.018 6.622) 7.851 6.852 ( 0.161 6.090 -5.578) 8.260 6.867 ( 5.837 -3.778 -3.607) 7.832 6.954 ( 8.345 -1.202 6.261) 10.501 7.035 ( 5.545 1.761 0.770) 5.869 7.077 ( -0.685 -3.443 1.573) 3.847 7.125 ( -3.028 3.702 -2.896) 5.591 7.227 ( -2.275 2.847 -7.772) 8.584 7.304 ( 1.598 -0.695 1.372) 2.218 7.367 ( 2.575 2.329 -6.062) 6.986 7.387 ( 3.979 8.905 -0.546) 9.768 7.484 ( 0.455 1.310 -1.207) 1.838 7.553 ( 6.054 1.183 1.903) 6.456 7.696 ( 1.338 0.995 3.273) 3.673 7.738 ( -2.163 -4.459 2.987) 5.786 7.852 ( -1.473 -3.955 2.540) 4.926 7.961 ( -1.364 -0.321 -1.079) 1.769 7.987 ( -3.621 -5.083 2.388) 6.682 8.080 ( -4.140 -5.802 0.556) 7.149 8.188 ( -1.493 -4.141 1.724) 4.728 8.201 ( -5.867 -4.247 4.904) 8.747 8.333 ( 0.387 4.872 -0.011) 4.888 8.404 ( -2.170 0.641 -3.009) 3.764 8.562 ( -9.936 4.109 6.158) 12.391 8.604 ( 3.773 4.435 2.584) 6.371 8.704 ( -4.437 -0.129 2.448) 5.069 8.793 ( -3.519 -0.762 -2.388) 4.320 8.831 ( 1.762 3.066 0.630) 3.591 8.940 ( -7.748 2.507 -2.992) 8.676 8.990 ( -3.520 2.230 5.284) 6.729 9.016 ( -3.349 -0.766 -3.611) 4.985 9.022 ( -2.168 -2.026 0.784) 3.069 9.154 ( 0.961 -1.247 -3.598) 3.927 9.197 ( -5.484 4.913 -1.086) 7.443 9.212 ( 0.987 -3.393 -0.290) 3.545 9.269 ( -3.308 2.716 0.044) 4.280 9.303 ( 2.843 1.789 -5.843) 6.740 9.538 ( -4.149 4.072 0.764) 5.863 9.676 ( -2.443 3.374 0.241) 4.173 9.715 ( -4.379 3.484 -1.672) 5.840 9.768 ( -2.840 5.874 3.963) 7.634 9.781 ( 0.234 4.967 -3.616) 6.149 9.856 ( 0.429 5.930 1.566) 6.148 9.913 ( -4.889 4.281 -2.591) 6.996 10.088 ( 1.057 -3.679 -2.192) 4.411 10.134 ( 1.196 3.523 3.647) 5.209 10.280 ( 0.213 4.783 -1.552) 5.033 10.342 ( 4.977 10.096 1.837) 11.405 10.442 ( 6.004 7.236 -4.671) 10.499 10.679 ( 6.602 -0.409 2.726) 7.154 10.830 ( 13.557 4.012 3.321) 14.524 10.963 ( -5.592 2.191 -5.672) 8.261 11.164 ( -2.832 -0.357 -2.730) 3.950 11.253 ( 5.867 -1.353 -4.394) 7.454 11.338 ( 8.400 -0.745 5.975) 10.335 11.409 ( 1.941 -0.098 7.851) 8.088 11.525 ( -2.869 -0.089 -2.815) 4.021 11.631 ( 2.245 -4.020 -3.835) 5.992 11.717 ( 4.238 -0.379 -0.170) 4.258 11.916 ( -0.109 -2.905 4.691) 5.519 11.988 ( 1.216 -2.253 -3.364) 4.228 12.228 ( -4.645 -8.471 3.025) 10.124 12.396 ( 0.272 -5.590 -4.027) 6.895 12.464 ( -5.159 -0.604 0.853) 5.263 12.483 ( -1.977 -5.183 0.806) 5.605 12.580 ( -2.963 -8.797 -0.128) 9.283 12.688 ( 3.092 -4.733 0.718) 5.699 12.904 ( 2.011 -11.969 -0.344) 12.142 12.960 ( 2.402 -12.408 0.939) 12.673 13.257 ( -3.102 9.017 -0.938) 9.582 13.272 ( -2.119 6.570 -0.192) 6.906 13.350 ( 1.205 6.250 -1.860) 6.631 13.462 ( 5.138 5.541 -0.489) 7.572 13.528 ( -6.711 6.588 0.054) 9.405 13.694 ( 0.651 10.469 1.188) 10.556 13.752 ( -0.686 8.586 1.947) 8.831 13.774 ( -0.035 7.274 0.047) 7.275 13.830 ( -1.246 6.083 1.454) 6.377 13.940 ( 1.136 4.238 -0.095) 4.389 14.013 ( 0.278 0.570 -0.434) 0.768 14.042 ( 2.196 2.116 -0.159) 3.053 15.264 ( -5.376 -0.069 0.566) 5.407 15.329 ( -5.404 -2.149 0.355) 5.827 15.348 ( -3.194 -2.300 -1.330) 4.154 15.479 ( 2.015 -4.174 0.174) 4.639 15.649 ( -4.633 -2.176 -1.653) 5.378 15.773 ( 2.469 -4.176 2.481) 5.449 15.881 ( -8.277 -1.069 1.421) 8.466 15.913 ( -4.572 -3.239 6.375) 8.487 16.009 ( -3.140 1.107 2.021) 3.895 16.230 ( 0.498 -1.062 8.542) 8.622 16.512 ( 6.060 -13.876 -19.534) 24.715 17.125 ( 33.010 -10.533 1.006) 34.664 18.205 ( 0.478 2.887 5.781) 6.480 18.325 ( -1.064 -1.318 -3.180) 3.603 18.425 ( -2.354 -0.423 0.464) 2.436 18.584 ( 1.242 -1.751 -2.612) 3.381 18.640 ( -1.984 -0.124 -0.685) 2.103 18.722 ( 0.519 0.423 -1.889) 2.004 18.789 ( -2.010 2.154 -0.159) 2.950 18.848 ( -1.023 -0.223 1.065) 1.493 19.034 ( -0.280 -1.307 -0.315) 1.373 19.090 ( 1.600 -0.491 0.793) 1.852 19.246 ( 0.546 -0.513 0.137) 0.761 19.302 ( 2.799 -0.459 0.094) 2.838 21.382 ( -5.035 4.378 0.205) 6.675 21.432 ( -2.668 0.428 -3.078) 4.095 21.702 ( -4.483 -0.589 6.252) 7.715 21.995 ( 6.255 -0.733 -2.726) 6.862 23.295 ( -0.002 0.550 -1.459) 1.560 23.331 ( 2.702 -0.294 1.212) 2.976 23.494 ( 0.390 -1.658 0.354) 1.740 23.523 ( 1.822 -2.150 -0.707) 2.905 23.736 ( -4.443 0.396 -1.072) 4.588 23.814 ( -5.029 -0.664 1.134) 5.197 23.835 ( 1.454 0.171 -1.164) 1.870 23.971 ( 2.450 -1.257 -0.375) 2.779 ======================= Grid point 74 (32/70) ======================= q-point: (-0.17 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -21.867 23.841 4.602) 32.677 1.030 ( -22.421 24.178 13.311) 35.559 1.592 ( -26.876 44.938 11.712) 53.656 2.044 ( -2.952 0.220 -8.124) 8.646 2.099 ( -2.575 11.672 -8.021) 14.395 2.250 ( 2.934 2.826 4.931) 6.396 2.396 ( 12.057 6.225 -2.614) 13.818 2.490 ( 0.338 6.213 -2.333) 6.646 2.506 ( 0.412 4.456 10.113) 11.059 2.539 ( -0.312 -4.224 -1.267) 4.421 2.610 ( 9.501 2.554 1.269) 9.920 2.874 ( 2.540 -0.178 0.405) 2.578 2.906 ( 1.541 2.287 1.263) 3.033 3.023 ( -5.423 6.582 -3.529) 9.229 3.092 ( 2.112 -1.582 -1.550) 3.060 3.155 ( -0.123 -1.937 6.079) 6.381 3.297 ( 2.600 -3.863 0.614) 4.697 3.377 ( 0.760 0.279 -1.721) 1.902 3.448 ( -4.540 -3.024 0.915) 5.531 3.543 ( -0.437 -4.728 1.248) 4.909 3.577 ( -1.728 -0.814 -4.122) 4.543 3.641 ( 3.812 -5.024 0.992) 6.385 3.698 ( -2.432 -4.447 -1.146) 5.197 3.752 ( -1.869 -6.816 0.670) 7.100 3.822 ( -3.397 -2.055 -4.289) 5.845 3.970 ( 7.466 -3.636 0.699) 8.333 4.020 ( 3.225 -1.468 -2.963) 4.619 4.169 ( -4.140 -3.116 6.407) 8.240 4.208 ( -1.529 -4.527 -6.562) 8.117 4.341 ( 5.307 -2.638 -4.700) 7.564 4.398 ( 0.098 -2.268 1.870) 2.941 4.433 ( -0.607 -3.656 -3.547) 5.129 4.566 ( -2.567 -1.180 -0.618) 2.892 4.621 ( 1.186 -4.860 -7.883) 9.337 4.755 ( 4.236 -2.486 3.258) 5.894 4.804 ( -1.324 -6.378 3.878) 7.581 4.887 ( -0.669 -7.317 1.011) 7.417 4.953 ( -1.790 -7.253 1.892) 7.707 5.041 ( -6.505 -4.180 3.586) 8.523 5.109 ( -3.393 -1.692 0.611) 3.840 5.143 ( -3.050 -7.041 3.822) 8.573 5.282 ( 0.028 -4.758 -7.162) 8.599 5.326 ( 0.119 -4.724 1.919) 5.100 5.398 ( 3.403 -6.705 0.551) 7.539 5.483 ( -1.528 -1.758 1.921) 3.019 5.531 ( -3.025 3.193 -1.999) 4.831 5.544 ( 7.331 -3.132 0.581) 7.994 5.655 ( 1.278 3.698 2.806) 4.815 5.696 ( 4.495 2.648 -1.141) 5.341 5.762 ( 2.509 -2.558 0.805) 3.672 5.800 ( 1.333 -5.090 2.789) 5.956 5.899 ( 1.359 -0.447 0.219) 1.448 5.913 ( 6.152 -4.926 3.925) 8.805 6.047 ( -0.718 -0.918 2.673) 2.916 6.090 ( -0.704 3.561 -3.058) 4.746 6.125 ( -4.663 2.488 2.512) 5.852 6.215 ( 2.827 4.169 -1.719) 5.323 6.288 ( 4.349 0.407 -6.899) 8.166 6.366 ( -1.196 -2.805 -5.276) 6.094 6.469 ( -2.197 -1.948 0.265) 2.948 6.552 ( 2.242 0.816 -3.662) 4.371 6.631 ( 5.089 -0.263 -6.279) 8.086 6.693 ( 2.469 0.600 3.420) 4.261 6.754 ( -3.981 4.221 9.230) 10.902 6.868 ( -2.429 5.917 4.909) 8.063 6.899 ( 1.288 -5.291 0.237) 5.451 7.008 ( -3.410 -5.922 2.074) 7.141 7.038 ( 0.340 5.219 1.474) 5.434 7.065 ( -0.364 5.187 -8.131) 9.652 7.210 ( 2.612 -1.410 3.106) 4.296 7.240 ( 1.974 3.029 -2.621) 4.466 7.339 ( 4.095 -4.519 4.615) 7.648 7.361 ( 8.321 -2.842 -4.962) 10.096 7.485 ( 11.080 -0.741 1.320) 11.183 7.529 ( 0.657 1.680 1.926) 2.639 7.605 ( -3.813 -6.471 0.670) 7.541 7.725 ( 0.829 -3.992 2.029) 4.554 7.787 ( -4.785 -3.504 1.806) 6.200 7.843 ( -3.365 -1.130 2.975) 4.631 7.853 ( -1.605 0.023 2.404) 2.891 7.948 ( -6.080 -1.617 -1.312) 6.427 8.053 ( 0.344 -11.608 1.779) 11.749 8.094 ( -1.140 -2.917 -1.853) 3.639 8.191 ( -2.603 -0.306 -1.510) 3.025 8.338 ( -0.157 0.821 -2.082) 2.244 8.384 ( -0.104 3.695 -1.157) 3.874 8.456 ( -6.288 -4.269 5.079) 9.141 8.627 ( -3.008 1.733 2.610) 4.343 8.675 ( -10.234 -6.290 -10.379) 15.875 8.700 ( -1.666 8.251 -7.211) 11.084 8.779 ( 1.796 8.314 4.710) 9.723 8.835 ( -5.409 4.693 0.217) 7.164 8.888 ( -1.192 6.524 -5.294) 8.486 8.933 ( -2.297 7.019 4.699) 8.753 9.033 ( -2.290 6.173 0.040) 6.584 9.044 ( -7.112 7.680 -3.301) 10.975 9.119 ( 0.063 7.408 1.010) 7.477 9.231 ( 0.015 0.319 -1.848) 1.875 9.256 ( -0.823 -2.122 0.243) 2.289 9.343 ( -0.940 -2.353 4.758) 5.391 9.483 ( -2.045 0.927 0.722) 2.359 9.582 ( -2.798 0.295 -0.578) 2.873 9.639 ( -6.110 1.985 -3.676) 7.402 9.662 ( -3.412 2.986 2.503) 5.179 9.779 ( -0.641 8.708 -3.681) 9.475 9.821 ( -1.802 6.085 -0.070) 6.346 9.915 ( 2.573 8.550 2.167) 9.188 9.947 ( -5.443 4.566 -2.877) 7.665 10.264 ( 1.851 7.847 5.614) 9.824 10.271 ( 0.748 7.559 0.536) 7.615 10.408 ( 3.178 2.900 -4.932) 6.545 10.531 ( 2.691 -1.296 1.080) 3.176 10.807 ( 3.029 0.514 2.862) 4.199 10.917 ( 8.893 -2.093 -3.653) 9.839 11.066 ( 2.734 0.641 0.890) 2.946 11.127 ( 5.966 2.056 0.354) 6.320 11.282 ( 1.299 -3.265 0.555) 3.558 11.419 ( -4.307 0.611 1.876) 4.737 11.480 ( -0.694 -4.550 4.672) 6.558 11.556 ( 9.792 -4.954 -5.328) 12.199 11.633 ( 2.267 -4.387 -3.817) 6.242 11.821 ( 9.677 0.195 -0.556) 9.695 11.948 ( -2.150 -3.506 1.901) 4.531 11.983 ( -0.150 -3.742 -0.358) 3.762 12.162 ( -5.827 -9.539 2.115) 11.376 12.290 ( -5.597 -5.537 -3.514) 8.622 12.360 ( -6.445 -0.583 2.394) 6.900 12.493 ( -3.924 -6.795 -2.210) 8.152 12.595 ( 8.806 -4.494 -0.111) 9.887 12.759 ( 4.572 -0.593 0.441) 4.631 12.921 ( 0.157 -11.606 -1.331) 11.683 12.949 ( -0.598 -11.020 -2.655) 11.351 13.220 ( -1.642 3.003 -0.645) 3.483 13.307 ( 5.423 12.725 -1.177) 13.883 13.375 ( -0.127 7.733 2.362) 8.086 13.453 ( -0.897 8.878 3.392) 9.546 13.551 ( 2.095 5.192 2.878) 6.296 13.687 ( 1.147 9.675 -3.180) 10.248 13.743 ( 0.200 12.523 -7.981) 14.851 13.778 ( -1.164 6.698 -2.170) 7.136 13.822 ( 2.264 5.417 4.222) 7.232 13.941 ( 0.808 3.796 -1.880) 4.313 14.028 ( 0.958 -0.461 1.746) 2.044 14.069 ( 1.426 2.141 -0.915) 2.730 15.181 ( -4.683 0.792 0.605) 4.788 15.240 ( -4.296 -1.688 -1.084) 4.742 15.269 ( -3.871 -0.334 0.076) 3.886 15.443 ( -10.932 -10.195 -2.956) 15.237 15.573 ( -0.085 0.472 -1.520) 1.594 15.695 ( -6.327 -1.831 -6.696) 9.392 15.826 ( 1.613 -1.335 -0.648) 2.192 15.890 ( -3.975 -4.963 2.846) 6.966 15.926 ( -6.088 -2.458 2.532) 7.037 16.211 ( 0.062 -1.334 -20.394) 20.438 16.788 ( 19.992 -5.037 35.900) 41.399 17.692 ( 30.575 -22.273 -0.348) 37.829 18.234 ( -3.726 -3.126 -1.080) 4.983 18.297 ( -0.186 0.276 4.845) 4.856 18.409 ( 1.700 4.223 -0.801) 4.622 18.568 ( -1.316 -0.056 -1.395) 1.918 18.585 ( -2.883 1.554 0.032) 3.276 18.705 ( -0.682 -1.157 -0.272) 1.370 18.768 ( 0.204 1.869 -1.021) 2.140 18.808 ( -4.755 -3.555 -0.637) 5.972 19.033 ( 0.038 1.526 0.346) 1.565 19.107 ( -0.274 0.319 0.136) 0.442 19.278 ( 2.726 -2.318 0.158) 3.582 19.341 ( 0.928 -2.748 -0.087) 2.901 21.296 ( -6.596 14.431 3.871) 16.333 21.361 ( -2.771 -1.629 0.253) 3.224 21.686 ( -2.161 0.969 0.366) 2.397 21.992 ( 2.594 -0.657 -15.711) 15.937 23.297 ( 1.150 0.427 -0.083) 1.229 23.374 ( 2.283 1.550 -0.249) 2.771 23.517 ( 1.211 -1.264 0.725) 1.895 23.554 ( 2.714 -1.466 -0.914) 3.217 23.668 ( -3.192 -1.073 -0.289) 3.380 23.724 ( -4.991 -0.146 -0.482) 5.017 23.843 ( -0.437 -0.719 4.097) 4.183 24.001 ( 1.196 -1.876 0.077) 2.226 ======================= Grid point 75 (33/70) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.920 24.972 13.252) 28.286 1.512 ( -4.588 25.196 15.586) 29.981 1.971 ( -0.939 10.249 -11.546) 15.468 2.171 ( 1.643 11.491 -16.881) 20.487 2.363 ( 1.184 5.729 3.662) 6.902 2.495 ( 1.382 5.135 2.902) 6.058 2.505 ( -0.346 4.717 0.261) 4.737 2.626 ( 3.660 13.253 3.557) 14.202 2.661 ( -0.556 15.789 0.509) 15.807 2.756 ( -0.493 5.839 7.826) 9.777 2.797 ( -2.678 7.130 -1.508) 7.764 2.917 ( 2.201 -0.138 -0.659) 2.301 2.967 ( 1.014 0.265 -0.566) 1.191 2.976 ( 5.224 1.662 -1.842) 5.784 3.130 ( -6.557 -2.702 3.152) 7.761 3.191 ( 0.955 -2.429 7.894) 8.314 3.213 ( 1.225 -0.384 6.706) 6.828 3.298 ( -0.164 -4.161 -0.228) 4.171 3.365 ( -0.777 3.970 -4.900) 6.354 3.448 ( -2.861 -8.131 -1.201) 8.703 3.454 ( -5.748 0.874 -0.957) 5.892 3.590 ( -3.208 1.915 -5.106) 6.327 3.649 ( 5.500 -3.766 -1.702) 6.880 3.702 ( -0.731 -2.090 1.762) 2.830 3.730 ( 7.192 -3.908 -2.661) 8.607 3.935 ( -4.870 -1.297 4.138) 6.521 3.980 ( -2.755 -3.580 -0.410) 4.536 4.021 ( -0.156 -5.381 -5.328) 7.574 4.100 ( 5.585 -0.602 -5.534) 7.885 4.150 ( -4.693 -1.782 -6.125) 7.919 4.319 ( -1.452 -7.629 0.025) 7.766 4.375 ( 0.603 -8.363 -1.202) 8.470 4.435 ( -4.267 -4.640 -6.205) 8.846 4.583 ( 3.364 -4.831 -1.708) 6.129 4.656 ( 9.632 -4.813 4.570) 11.697 4.695 ( 1.475 -1.863 2.480) 3.434 4.772 ( 2.613 -6.045 1.564) 6.769 4.858 ( 0.210 -10.984 -2.826) 11.344 4.964 ( -1.451 -9.152 9.987) 13.623 4.980 ( -2.035 -2.724 4.848) 5.921 5.055 ( 5.719 -8.691 -6.451) 12.241 5.080 ( -3.127 -0.471 -0.380) 3.185 5.252 ( -3.478 -1.827 -0.126) 3.931 5.288 ( 4.241 -2.704 0.490) 5.054 5.391 ( -5.161 -3.156 4.175) 7.350 5.486 ( -0.577 -5.068 -4.956) 7.112 5.518 ( -4.068 -7.051 -2.402) 8.487 5.586 ( -4.301 -4.241 3.640) 7.052 5.654 ( -1.317 1.926 1.969) 3.053 5.716 ( 2.266 -4.035 -2.605) 5.310 5.751 ( -2.166 -6.483 -2.676) 7.341 5.842 ( 0.371 -5.590 0.212) 5.606 5.915 ( 3.690 -2.675 2.503) 5.199 5.988 ( -2.494 -0.379 -8.158) 8.539 6.104 ( 1.005 1.896 1.901) 2.867 6.153 ( -3.678 -0.205 -8.308) 9.088 6.261 ( 0.649 -4.966 5.503) 7.441 6.294 ( 1.375 3.392 3.966) 5.396 6.361 ( 2.909 -3.167 -1.795) 4.660 6.443 ( 1.599 -6.175 4.124) 7.596 6.534 ( 2.424 -1.448 -0.026) 2.824 6.604 ( 2.931 0.743 0.399) 3.050 6.765 ( -3.512 -4.078 -0.028) 5.382 6.825 ( -0.720 -5.026 -3.485) 6.159 6.883 ( -3.879 -1.323 3.579) 5.441 6.936 ( -0.811 4.632 0.554) 4.735 6.964 ( 3.886 -2.580 0.000) 4.664 7.023 ( 0.542 0.621 0.226) 0.855 7.087 ( -5.704 -0.940 -1.001) 5.867 7.187 ( 0.873 1.960 0.543) 2.213 7.211 ( 4.074 -2.430 -2.938) 5.580 7.294 ( 2.787 3.439 4.362) 6.214 7.359 ( -1.856 -2.240 -1.392) 3.225 7.466 ( -0.723 0.301 0.584) 0.977 7.583 ( 0.342 -2.129 -0.410) 2.194 7.586 ( 4.200 -2.724 -1.840) 5.334 7.626 ( -2.847 1.743 1.699) 3.746 7.697 ( -1.542 -1.580 3.576) 4.203 7.806 ( -4.364 -1.240 2.370) 5.119 7.819 ( 1.631 -2.266 -1.611) 3.223 7.874 ( 0.099 0.220 3.643) 3.651 8.046 ( 0.350 0.353 3.417) 3.453 8.164 ( -3.605 8.807 -6.447) 11.495 8.205 ( 2.566 4.704 -1.312) 5.516 8.270 ( 1.633 -1.411 1.860) 2.849 8.355 ( 0.641 3.402 2.874) 4.499 8.475 ( -4.541 3.145 -1.716) 5.784 8.545 ( 1.314 -1.096 -5.090) 5.370 8.560 ( 4.553 -2.605 -2.481) 5.802 8.660 ( 0.396 -4.897 -1.639) 5.179 8.850 ( 1.202 3.024 -2.727) 4.245 8.935 ( 0.492 3.410 -2.957) 4.540 8.991 ( -2.046 2.184 -3.202) 4.383 9.042 ( -2.517 6.156 0.988) 6.724 9.079 ( -1.030 3.464 -5.319) 6.430 9.126 ( -1.221 2.563 -4.548) 5.361 9.244 ( -1.776 3.841 0.267) 4.240 9.324 ( -1.198 8.240 3.250) 8.939 9.362 ( 1.014 3.973 5.374) 6.759 9.419 ( 0.797 3.947 5.843) 7.096 9.514 ( 3.630 5.054 3.655) 7.217 9.619 ( 2.216 13.313 -5.638) 14.626 9.728 ( 0.736 7.703 -1.007) 7.803 9.808 ( -0.157 5.733 9.700) 11.268 9.845 ( -2.945 6.000 1.693) 6.895 10.043 ( 3.617 7.684 3.096) 9.039 10.140 ( 1.336 13.404 -3.251) 13.857 10.202 ( 1.700 9.285 -0.065) 9.440 10.299 ( -7.343 4.062 -0.485) 8.405 10.341 ( 0.028 1.244 -0.292) 1.278 10.472 ( -3.270 3.435 2.027) 5.158 10.625 ( 1.914 8.538 0.120) 8.751 10.865 ( 6.150 -3.055 -1.874) 7.118 10.976 ( 3.889 1.527 -2.324) 4.781 11.119 ( -4.289 -5.713 -0.017) 7.144 11.131 ( -7.512 -5.643 1.459) 9.508 11.202 ( 1.262 1.010 -0.732) 1.774 11.298 ( 2.770 -3.213 -2.412) 4.880 11.446 ( 0.249 -4.826 7.474) 8.900 11.538 ( 3.248 0.765 -0.938) 3.466 11.691 ( 4.149 4.123 -0.699) 5.891 11.765 ( -6.514 -5.714 0.115) 8.665 11.788 ( -1.547 -9.629 1.387) 9.851 11.915 ( 1.754 -5.422 0.154) 5.701 11.988 ( 0.224 -4.988 0.419) 5.011 12.008 ( 1.038 -9.804 -1.133) 9.923 12.289 ( -0.995 -0.687 -3.108) 3.335 12.295 ( 0.785 -5.103 -3.053) 5.998 12.583 ( -4.489 -8.670 1.813) 9.930 12.619 ( 2.191 -7.878 2.111) 8.445 12.708 ( 1.032 -10.656 -0.642) 10.725 12.832 ( 1.871 -4.210 -4.979) 6.783 13.277 ( -3.248 5.320 4.682) 7.796 13.480 ( 0.859 4.765 1.736) 5.143 13.563 ( 0.785 4.283 3.460) 5.561 13.623 ( 2.546 4.568 -0.537) 5.257 13.696 ( -4.300 7.437 -0.970) 8.645 13.792 ( 3.199 4.754 -5.344) 7.835 13.825 ( -0.701 9.632 -4.443) 10.630 13.937 ( -0.526 8.010 -0.514) 8.043 13.967 ( -1.227 4.320 1.182) 4.643 14.034 ( 0.481 3.140 -0.020) 3.177 14.055 ( -0.139 2.548 -1.989) 3.236 14.125 ( 1.144 2.775 -2.065) 3.643 15.143 ( 1.051 -0.353 0.684) 1.303 15.206 ( -1.296 1.558 1.459) 2.497 15.207 ( -0.088 0.311 -1.437) 1.473 15.264 ( 1.089 0.194 -0.680) 1.298 15.625 ( 0.146 2.989 -1.293) 3.261 15.635 ( 1.126 1.750 -2.500) 3.252 15.763 ( -4.111 -4.202 1.857) 6.164 15.788 ( 2.770 -3.321 1.301) 4.516 15.867 ( 0.495 -0.418 2.446) 2.530 16.067 ( 1.975 -1.761 -8.738) 9.129 16.811 ( -10.482 -24.646 15.028) 30.710 17.166 ( 4.586 -35.737 -4.600) 36.322 18.358 ( -3.393 4.393 0.406) 5.565 18.411 ( 4.095 5.236 -2.320) 7.040 18.519 ( -0.983 4.091 0.664) 4.260 18.529 ( -0.315 3.967 1.303) 4.187 18.616 ( 0.787 1.086 0.454) 1.416 18.655 ( -0.598 0.240 -1.455) 1.591 18.743 ( 0.386 2.202 1.596) 2.746 18.804 ( 1.565 1.632 -1.669) 2.810 19.063 ( -1.241 -1.377 1.116) 2.164 19.111 ( 1.207 -0.584 -0.711) 1.518 19.249 ( -0.811 -2.239 0.461) 2.425 19.273 ( -0.039 -1.050 -0.359) 1.111 21.343 ( 2.350 -0.898 4.510) 5.164 21.517 ( -2.663 1.990 0.259) 3.334 21.699 ( -3.402 6.692 -0.961) 7.568 21.910 ( 5.396 -0.827 -6.505) 8.492 23.347 ( 1.718 1.960 1.223) 2.878 23.409 ( -2.209 1.029 -1.748) 2.999 23.519 ( 0.170 -0.550 0.576) 0.814 23.543 ( -0.305 -1.602 -0.517) 1.711 23.603 ( 1.637 -2.052 1.388) 2.969 23.651 ( -0.964 -2.025 -0.823) 2.389 23.846 ( 0.090 -3.507 3.817) 5.184 23.940 ( 0.104 -4.197 -1.113) 4.343 ======================= Grid point 76 (34/70) ======================= q-point: ( 0.17 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 3.274 19.103 15.134) 24.590 1.767 ( 6.356 16.770 -0.121) 17.935 1.794 ( 5.399 14.581 -0.298) 15.552 2.080 ( 7.964 16.334 -12.597) 22.111 2.414 ( -3.344 4.474 3.638) 6.665 2.489 ( -5.164 1.936 -2.658) 6.122 2.491 ( -2.769 0.277 -1.865) 3.350 2.527 ( -2.786 3.110 -0.154) 4.179 2.735 ( -3.915 6.306 3.022) 8.014 2.747 ( -1.212 8.026 -6.210) 10.220 2.830 ( -0.484 7.102 2.667) 7.602 2.877 ( -0.077 9.501 -2.072) 9.725 2.978 ( 2.256 -2.398 4.258) 5.382 3.045 ( -1.280 0.726 3.496) 3.793 3.119 ( -3.289 1.794 2.959) 4.774 3.168 ( -0.905 3.456 -2.756) 4.512 3.282 ( -2.691 -5.492 2.573) 6.635 3.329 ( 1.376 -0.856 7.468) 7.642 3.372 ( -1.530 0.463 -0.393) 1.646 3.406 ( 6.725 -0.019 1.474) 6.884 3.461 ( 5.830 -3.187 -4.824) 8.211 3.493 ( -5.487 4.320 1.633) 7.172 3.599 ( -2.921 1.216 3.141) 4.458 3.751 ( 5.628 -10.101 -9.878) 15.207 3.840 ( -3.878 -2.488 -4.490) 6.433 3.846 ( -6.801 4.519 0.199) 8.168 3.903 ( 7.116 -6.467 3.499) 10.233 3.940 ( -3.466 -2.771 -0.895) 4.527 4.091 ( 0.988 -0.296 -7.954) 8.021 4.117 ( 0.378 -1.679 3.329) 3.747 4.262 ( -2.735 -7.718 5.400) 9.808 4.334 ( 0.839 -6.870 -3.071) 7.572 4.383 ( 0.364 -8.740 -0.508) 8.762 4.565 ( -5.475 -9.043 0.210) 10.573 4.677 ( -4.202 -7.725 -0.909) 8.841 4.784 ( -1.552 -1.864 -3.788) 4.498 4.798 ( 1.144 -7.018 -1.019) 7.183 4.869 ( 4.374 -8.293 -4.352) 10.337 4.940 ( 3.255 -4.967 -2.125) 6.308 5.089 ( 9.102 -3.191 -7.743) 12.368 5.138 ( 8.728 -5.091 2.074) 10.315 5.193 ( 3.368 -5.674 5.728) 8.738 5.272 ( -6.887 0.929 -3.036) 7.583 5.280 ( 2.851 -2.465 10.551) 11.204 5.413 ( 0.186 -6.003 -1.495) 6.189 5.448 ( 4.186 -6.587 4.127) 8.829 5.495 ( 1.362 -3.224 5.373) 6.412 5.601 ( -1.145 -3.643 1.580) 4.133 5.622 ( -4.705 -2.626 4.305) 6.897 5.691 ( 0.244 4.877 2.583) 5.524 5.779 ( 4.707 -5.436 -3.156) 7.853 5.837 ( -3.419 -6.396 3.710) 8.146 5.901 ( 2.839 -5.109 -3.027) 6.582 5.993 ( 1.990 -0.879 -1.587) 2.693 6.002 ( 3.166 0.829 -7.059) 7.780 6.122 ( -2.637 2.978 1.180) 4.149 6.272 ( -5.168 -0.309 -3.575) 6.291 6.342 ( -5.177 2.308 -2.684) 6.271 6.374 ( -1.297 -7.845 -0.461) 7.965 6.392 ( -6.549 2.070 6.805) 9.669 6.517 ( -6.529 -6.055 0.653) 8.929 6.605 ( -0.568 -1.434 -0.092) 1.545 6.718 ( -1.837 6.491 -5.786) 8.887 6.757 ( -1.037 -3.845 -3.878) 5.559 6.818 ( -0.429 -7.179 -1.147) 7.282 6.889 ( -7.348 -1.966 5.771) 9.548 7.005 ( 1.585 2.759 4.241) 5.302 7.016 ( -0.938 -1.834 2.272) 3.066 7.071 ( 5.532 -1.473 -2.630) 6.300 7.161 ( -2.083 0.015 -3.188) 3.809 7.272 ( 0.001 -1.911 0.160) 1.918 7.328 ( -0.910 1.789 -4.585) 5.005 7.406 ( 3.951 0.092 3.366) 5.191 7.494 ( -3.018 -2.762 1.707) 4.433 7.517 ( 1.333 0.793 3.345) 3.687 7.601 ( 0.020 0.538 -2.577) 2.633 7.611 ( 1.550 -4.999 -2.195) 5.675 7.750 ( 2.261 -2.086 0.938) 3.216 7.777 ( -2.454 -6.215 4.321) 7.957 7.862 ( 0.541 5.723 4.167) 7.100 7.937 ( 7.113 -0.392 1.229) 7.229 8.033 ( -5.598 5.031 2.366) 7.890 8.139 ( -4.355 12.123 -3.079) 13.244 8.218 ( 9.769 -1.814 -0.198) 9.938 8.343 ( 0.102 -0.580 -3.970) 4.014 8.404 ( 8.421 -0.949 -0.318) 8.480 8.435 ( -0.114 1.316 3.350) 3.601 8.485 ( 0.829 -5.265 -2.471) 5.875 8.616 ( -1.512 3.415 -7.951) 8.785 8.655 ( 1.779 2.629 -0.655) 3.241 8.831 ( -1.073 3.518 -1.261) 3.888 8.872 ( -1.430 2.383 -2.036) 3.445 8.943 ( -1.518 0.966 1.148) 2.134 8.996 ( -1.407 -2.141 0.129) 2.566 9.093 ( 6.741 0.109 1.599) 6.929 9.146 ( 2.623 2.590 2.639) 4.533 9.252 ( 1.175 7.514 1.060) 7.679 9.296 ( -3.207 3.112 1.722) 4.789 9.411 ( 2.107 4.035 3.371) 5.664 9.511 ( 3.022 5.617 -0.525) 6.400 9.629 ( 8.833 7.710 -6.109) 13.221 9.668 ( 7.047 8.579 -0.919) 11.140 9.758 ( 0.374 8.856 2.506) 9.211 9.782 ( 1.057 8.788 -1.420) 8.964 9.914 ( -5.085 0.628 10.106) 11.331 10.053 ( -2.735 5.370 -1.351) 6.176 10.086 ( -6.884 5.513 -6.630) 11.033 10.181 ( -2.931 10.048 1.010) 10.515 10.251 ( 3.420 10.650 1.360) 11.268 10.362 ( 4.310 7.316 0.313) 8.497 10.516 ( -1.033 -2.799 8.443) 8.955 10.613 ( 0.938 11.934 -3.039) 12.350 10.818 ( -6.338 -2.164 -10.755) 12.670 10.935 ( -3.413 5.387 0.590) 6.404 11.041 ( -2.695 -7.394 1.491) 8.010 11.124 ( 1.409 -1.053 4.355) 4.697 11.270 ( 4.769 -0.834 0.486) 4.866 11.298 ( 0.243 -5.037 -3.112) 5.926 11.473 ( -4.806 0.472 2.132) 5.279 11.597 ( 2.372 -1.050 0.158) 2.599 11.628 ( -6.315 -1.593 0.274) 6.518 11.723 ( 0.101 -0.763 -1.321) 1.529 11.751 ( -3.428 -0.471 -2.493) 4.265 11.934 ( 0.604 -11.636 3.281) 12.105 12.040 ( 3.504 -6.900 1.030) 7.807 12.064 ( 6.671 -7.979 -1.566) 10.518 12.279 ( 3.079 -2.356 -1.530) 4.168 12.312 ( 4.613 -4.519 -1.669) 6.670 12.490 ( -6.670 -7.660 2.864) 10.553 12.671 ( -3.647 -8.780 1.637) 9.647 12.706 ( 2.268 -11.379 -0.869) 11.635 12.764 ( -3.085 -4.182 -4.478) 6.860 13.303 ( -0.724 6.135 6.129) 8.702 13.467 ( -1.523 6.557 -3.978) 7.819 13.563 ( -4.111 6.902 2.804) 8.509 13.638 ( 2.160 3.431 2.349) 4.686 13.701 ( 5.038 3.550 -4.880) 7.861 13.777 ( 0.784 7.488 -0.568) 7.550 13.829 ( 1.368 9.254 1.696) 9.507 13.926 ( 1.351 9.250 -3.845) 10.108 13.952 ( -2.680 5.524 2.348) 6.573 14.007 ( -1.061 4.501 -0.825) 4.697 14.055 ( 0.263 1.711 1.013) 2.006 14.104 ( -0.484 2.386 -2.828) 3.732 15.182 ( 2.316 -0.393 -1.167) 2.623 15.216 ( 2.878 -2.301 0.627) 3.738 15.238 ( 3.223 0.664 0.374) 3.312 15.319 ( 4.933 -1.365 -1.087) 5.232 15.591 ( -1.242 0.401 -1.389) 1.906 15.635 ( 0.679 2.822 -1.293) 3.178 15.742 ( 0.660 -2.297 1.117) 2.638 15.878 ( 0.356 -4.478 2.179) 4.992 15.935 ( 7.617 0.496 0.711) 7.666 15.982 ( 0.304 -0.142 -6.131) 6.141 16.697 ( -17.769 -27.422 11.564) 34.661 17.122 ( -7.705 -28.337 -1.841) 29.423 18.255 ( -4.290 5.428 -0.627) 6.947 18.363 ( -2.932 2.969 0.623) 4.219 18.540 ( -0.938 5.147 0.033) 5.232 18.583 ( 1.235 2.678 0.359) 2.971 18.645 ( 4.468 1.759 0.371) 4.816 18.677 ( 2.199 -0.851 -1.106) 2.604 18.768 ( 0.661 0.711 -0.207) 0.992 18.821 ( 3.189 2.081 -1.120) 3.969 19.034 ( -3.695 -3.540 1.060) 5.226 19.111 ( -0.082 0.207 -1.079) 1.102 19.244 ( 0.016 0.723 0.607) 0.944 19.276 ( 0.164 -2.533 0.317) 2.558 21.443 ( -1.339 -0.956 -4.293) 4.597 21.475 ( 3.554 -0.524 5.096) 6.235 21.635 ( -4.028 5.540 3.580) 7.728 21.916 ( 3.437 1.539 -7.037) 7.981 23.327 ( -3.976 -0.229 -1.687) 4.326 23.380 ( -0.282 2.098 1.787) 2.770 23.495 ( -2.830 -1.145 0.184) 3.058 23.507 ( -2.412 -2.215 -0.104) 3.276 23.666 ( 4.169 -1.442 -1.060) 4.537 23.693 ( 5.235 -1.097 0.914) 5.426 23.887 ( -0.561 -4.232 2.700) 5.051 23.926 ( 0.353 -3.258 -1.857) 3.767 ======================= Grid point 77 (35/70) ======================= q-point: ( 0.33 0.22 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 13.266 14.243 -6.542) 20.534 1.880 ( 8.457 10.468 13.456) 19.030 2.016 ( 10.190 14.554 -5.337) 18.551 2.192 ( 6.417 12.794 5.759) 15.428 2.266 ( -14.030 6.857 -2.544) 15.821 2.347 ( -3.077 5.142 -4.359) 7.410 2.401 ( -2.338 7.395 -4.218) 8.828 2.499 ( -2.299 3.309 1.731) 4.386 2.654 ( -0.593 0.896 -1.668) 1.984 2.662 ( -2.446 5.494 -1.671) 6.241 2.743 ( -2.498 0.060 -3.568) 4.356 2.941 ( -3.757 7.048 0.535) 8.005 3.003 ( -2.803 -3.383 3.832) 5.829 3.025 ( -5.711 2.471 1.996) 6.535 3.073 ( -3.144 -0.947 1.109) 3.466 3.189 ( -3.392 -4.431 -3.989) 6.860 3.198 ( 4.962 -5.350 -1.701) 7.493 3.271 ( -5.434 -0.144 -0.974) 5.522 3.395 ( -7.341 4.046 5.791) 10.189 3.471 ( 4.543 -1.299 -1.532) 4.967 3.518 ( 5.132 1.414 0.809) 5.385 3.537 ( 0.324 -5.340 1.967) 5.700 3.692 ( 1.042 -3.574 0.262) 3.733 3.714 ( 4.544 -6.173 -1.675) 7.846 3.755 ( -3.139 -3.703 0.783) 4.917 3.833 ( 3.444 1.540 -0.000) 3.772 3.905 ( 2.096 1.714 1.612) 3.152 3.987 ( 4.102 0.997 -1.605) 4.517 4.101 ( 1.839 -12.412 -2.680) 12.830 4.187 ( 5.918 -4.600 2.510) 7.905 4.294 ( -1.279 -11.285 5.110) 12.454 4.332 ( -2.013 1.012 3.655) 4.294 4.392 ( 3.681 -2.698 -3.910) 6.010 4.527 ( -3.420 -8.025 5.468) 10.295 4.636 ( 0.308 -7.651 -0.116) 7.658 4.669 ( -0.168 -2.820 -1.000) 2.997 4.848 ( 0.958 -6.868 0.530) 6.955 4.888 ( 1.372 -9.236 -5.050) 10.616 4.948 ( 2.436 0.462 -2.384) 3.440 5.057 ( -1.608 -3.801 -8.665) 9.598 5.114 ( -3.022 -0.594 0.310) 3.095 5.206 ( 3.862 -5.035 -0.699) 6.384 5.283 ( -1.868 -3.452 -4.798) 6.199 5.382 ( -1.365 -2.223 5.038) 5.673 5.417 ( -6.166 -3.487 4.758) 8.533 5.510 ( -2.945 1.290 5.023) 5.964 5.590 ( 2.007 -3.716 -0.739) 4.287 5.623 ( 4.895 2.292 -0.119) 5.407 5.676 ( -0.191 -3.910 0.124) 3.917 5.726 ( -5.916 1.841 -0.531) 6.218 5.799 ( 1.995 -1.101 4.765) 5.282 5.846 ( -6.472 2.138 4.136) 7.972 5.882 ( 3.982 -1.609 -1.738) 4.633 5.964 ( -0.349 -3.410 -5.553) 6.526 6.054 ( 5.183 0.895 -1.346) 5.429 6.082 ( 2.616 -1.570 1.092) 3.240 6.170 ( 1.604 -0.662 1.488) 2.286 6.202 ( 0.423 -0.194 -1.239) 1.324 6.354 ( -4.872 4.196 4.090) 7.620 6.384 ( -0.749 -4.014 2.115) 4.599 6.480 ( 0.537 -12.311 -2.463) 12.567 6.556 ( -1.811 0.494 -3.359) 3.848 6.625 ( -1.179 0.470 -1.065) 1.657 6.679 ( -5.953 -3.091 0.847) 6.761 6.785 ( -5.225 -1.055 1.496) 5.537 6.878 ( -0.492 -6.757 4.249) 7.997 6.966 ( -6.928 -5.536 -4.447) 9.921 7.075 ( -3.923 3.283 0.888) 5.192 7.096 ( 3.795 0.211 -1.646) 4.142 7.154 ( 0.779 -1.781 -2.223) 2.953 7.201 ( 3.601 -0.639 3.006) 4.734 7.305 ( -0.658 -0.124 -1.167) 1.346 7.393 ( -1.495 -2.407 -2.141) 3.551 7.489 ( 3.037 6.100 -6.081) 9.133 7.542 ( -3.705 -3.568 -0.056) 5.144 7.596 ( -0.799 -5.585 0.466) 5.661 7.678 ( 3.159 -7.704 5.059) 9.743 7.793 ( 3.941 -7.080 2.170) 8.388 7.870 ( 3.793 1.356 4.079) 5.733 7.923 ( -1.544 2.734 1.755) 3.597 7.966 ( -0.106 4.997 -3.431) 6.063 8.051 ( 2.492 8.556 -0.200) 8.914 8.109 ( 4.445 8.373 0.768) 9.511 8.237 ( -2.456 4.234 -0.875) 4.972 8.351 ( -1.090 0.406 -4.288) 4.443 8.368 ( -6.155 -4.591 -4.869) 9.092 8.468 ( 2.279 -3.546 4.786) 6.378 8.503 ( 1.559 -5.504 2.097) 6.092 8.617 ( 9.395 -0.667 0.186) 9.421 8.659 ( 0.495 0.883 2.350) 2.558 8.814 ( -2.258 -1.090 1.981) 3.195 8.881 ( 4.022 -1.089 -1.513) 4.433 8.988 ( 1.747 2.137 4.807) 5.543 9.009 ( -0.924 -0.315 1.106) 1.475 9.145 ( -1.834 -0.040 -2.028) 2.734 9.185 ( 0.058 2.527 -0.500) 2.577 9.280 ( 0.755 6.414 -1.712) 6.681 9.374 ( 6.811 3.239 2.099) 7.828 9.514 ( 3.570 6.983 0.566) 7.863 9.584 ( 6.769 2.955 -1.036) 7.458 9.616 ( 2.380 2.014 -8.496) 9.050 9.704 ( -4.630 -1.083 1.595) 5.015 9.722 ( 3.611 9.834 -4.006) 11.216 9.873 ( -0.813 7.742 4.693) 9.090 9.935 ( 3.336 8.210 -3.089) 9.385 9.964 ( -5.377 1.792 3.207) 6.512 10.000 ( -0.251 4.326 0.452) 4.357 10.101 ( -6.614 9.305 2.635) 11.716 10.276 ( 2.328 15.758 -3.769) 16.369 10.434 ( -5.436 2.405 -1.235) 6.072 10.478 ( 0.498 6.351 3.603) 7.319 10.652 ( 3.145 6.482 0.340) 7.213 10.772 ( 4.475 5.249 1.054) 6.977 10.837 ( -5.447 10.247 -0.597) 11.620 11.018 ( 1.385 -0.556 -2.689) 3.075 11.177 ( 1.211 -4.542 -2.618) 5.380 11.245 ( -4.717 -4.255 4.595) 7.841 11.336 ( 1.878 5.771 -0.123) 6.070 11.371 ( -5.519 -0.913 0.473) 5.614 11.547 ( -3.231 4.128 -0.703) 5.289 11.601 ( 1.569 -3.294 -5.565) 6.655 11.637 ( -4.531 -0.414 -1.877) 4.922 11.751 ( 0.913 -4.669 3.617) 5.976 11.970 ( 0.206 -8.729 0.404) 8.741 12.097 ( 3.010 -9.990 -0.582) 10.450 12.186 ( 7.291 -8.353 -0.157) 11.089 12.332 ( 1.003 -6.067 2.056) 6.484 12.408 ( 5.712 -4.697 1.128) 7.480 12.452 ( -1.183 -3.599 1.888) 4.232 12.588 ( -3.871 -14.269 -1.017) 14.820 12.647 ( -5.079 -3.613 -1.148) 6.338 12.709 ( -2.445 -7.069 -0.085) 7.480 13.378 ( 2.312 4.728 1.931) 5.606 13.403 ( -0.372 6.319 -1.874) 6.601 13.553 ( -2.321 4.501 2.652) 5.717 13.625 ( -2.677 2.440 -5.626) 6.691 13.694 ( 2.773 2.762 -0.666) 3.970 13.862 ( 0.304 7.438 3.197) 8.102 13.870 ( -0.073 12.131 -4.021) 12.780 13.880 ( 4.605 4.777 0.725) 6.674 13.950 ( -1.705 8.706 3.819) 9.658 14.022 ( 0.694 6.134 2.554) 6.680 14.047 ( -2.168 1.881 -2.169) 3.597 14.074 ( 0.780 3.425 0.490) 3.547 15.225 ( 3.578 -2.700 -0.539) 4.514 15.282 ( 4.157 -2.173 0.839) 4.765 15.307 ( 2.443 -3.801 1.254) 4.689 15.363 ( 1.083 -3.696 -1.324) 4.073 15.557 ( -0.055 -0.785 -1.108) 1.359 15.664 ( 3.062 1.462 1.311) 3.637 15.742 ( -2.699 -1.191 -0.569) 3.004 15.874 ( 1.510 -6.319 -0.258) 6.502 15.966 ( 1.987 -2.712 0.155) 3.366 16.158 ( 15.223 -0.576 0.623) 15.247 16.497 ( -16.346 -17.009 3.839) 23.901 16.855 ( -19.526 -13.012 -1.337) 23.503 18.213 ( -1.407 3.708 0.703) 4.028 18.391 ( 4.618 -0.268 0.426) 4.645 18.502 ( -1.429 2.583 -0.579) 3.008 18.573 ( -1.879 3.325 -3.483) 5.169 18.670 ( -0.522 -0.594 -0.654) 1.026 18.730 ( 3.040 0.405 2.252) 3.805 18.775 ( 1.808 1.649 -1.530) 2.886 18.872 ( 2.002 2.295 0.152) 3.049 18.977 ( -4.001 -4.825 1.949) 6.564 19.091 ( -0.333 0.779 -1.424) 1.657 19.251 ( 0.323 0.120 -0.249) 0.425 19.283 ( -0.379 -0.168 0.858) 0.952 21.382 ( 0.614 -3.469 -3.090) 4.686 21.525 ( -2.296 -0.241 2.619) 3.491 21.694 ( 3.017 2.758 4.235) 5.887 21.869 ( -0.022 -0.293 -4.549) 4.559 23.251 ( -2.897 -1.024 -0.221) 3.081 23.384 ( -0.591 1.958 0.139) 2.050 23.451 ( -1.978 -3.355 -0.117) 3.897 23.472 ( -1.594 -1.594 0.121) 2.258 23.732 ( 4.620 -0.880 -0.990) 4.806 23.796 ( 4.988 -0.648 0.755) 5.087 23.884 ( -2.406 -2.889 1.646) 4.104 23.907 ( -0.152 -1.712 -2.048) 2.674 ======================= Grid point 78 (36/70) ======================= q-point: (-0.50 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -5.258 10.168 -1.825) 11.591 1.989 ( -4.926 10.402 0.734) 11.533 2.086 ( 0.052 10.721 -2.997) 11.132 2.139 ( 13.407 11.919 -5.754) 18.839 2.190 ( -4.618 7.317 3.816) 9.456 2.320 ( 3.438 9.484 1.189) 10.157 2.402 ( -1.072 7.637 4.337) 8.848 2.556 ( 2.226 5.437 2.057) 6.225 2.648 ( 3.713 2.522 -0.876) 4.573 2.669 ( -0.773 -0.497 0.365) 0.988 2.706 ( -0.941 4.349 1.918) 4.845 2.785 ( 1.792 2.371 -5.872) 6.581 2.955 ( -1.435 1.959 -1.408) 2.807 3.009 ( -3.880 -0.693 -1.227) 4.128 3.043 ( 0.066 -5.313 3.905) 6.594 3.134 ( -0.728 -10.242 -2.184) 10.498 3.216 ( -4.845 -0.266 4.639) 6.713 3.275 ( 5.300 -0.089 -0.506) 5.325 3.346 ( -4.782 7.103 2.363) 8.883 3.447 ( -1.975 -2.919 -3.644) 5.069 3.505 ( 4.462 -1.035 -2.875) 5.408 3.602 ( -3.336 -2.622 -1.203) 4.410 3.704 ( 1.062 -3.008 -1.101) 3.374 3.725 ( -4.094 -5.480 1.349) 6.972 3.786 ( 2.943 -7.716 -2.706) 8.690 3.825 ( 6.750 -0.711 -2.268) 7.157 3.888 ( -3.535 -6.716 3.388) 8.312 4.078 ( 1.826 -7.791 -2.811) 8.481 4.187 ( -0.808 -7.174 7.893) 10.697 4.223 ( 2.919 -1.212 -2.110) 3.800 4.298 ( -3.867 -2.428 6.149) 7.659 4.403 ( 2.630 -5.954 5.196) 8.328 4.451 ( -9.823 -5.252 1.712) 11.270 4.538 ( 5.875 -2.214 4.942) 7.990 4.623 ( 3.108 -4.881 2.500) 6.303 4.768 ( 1.539 -0.322 -8.953) 9.090 4.820 ( 0.809 -3.446 1.764) 3.955 4.857 ( -0.291 -4.088 -0.270) 4.107 4.901 ( 0.186 -3.909 2.070) 4.427 4.953 ( 1.175 -1.642 -7.717) 7.977 5.152 ( 2.954 -4.486 -0.424) 5.387 5.209 ( 1.352 -1.377 -6.387) 6.672 5.295 ( -1.755 -4.068 1.315) 4.621 5.326 ( 3.903 -1.143 4.476) 6.048 5.355 ( -2.856 -0.130 -0.169) 2.864 5.489 ( -4.683 -3.482 -2.188) 6.233 5.498 ( -4.060 -5.657 -9.387) 11.687 5.592 ( -2.708 1.178 1.562) 3.341 5.650 ( 0.304 2.514 -1.298) 2.846 5.653 ( -1.655 -2.474 -1.970) 3.570 5.784 ( -2.428 3.060 -0.139) 3.909 5.795 ( -1.656 -1.810 0.087) 2.455 5.953 ( 1.721 -3.159 4.694) 5.914 6.050 ( 2.404 3.031 3.268) 5.064 6.113 ( -3.612 -1.008 -0.040) 3.750 6.180 ( 1.620 -2.522 0.564) 3.050 6.197 ( 3.465 -2.924 7.253) 8.553 6.268 ( 2.688 -0.492 -0.876) 2.870 6.374 ( 3.171 0.381 4.203) 5.278 6.412 ( -6.749 -0.393 1.733) 6.979 6.448 ( 5.170 -4.115 -4.455) 7.970 6.542 ( 3.715 0.902 0.522) 3.858 6.601 ( -2.100 -5.670 -1.663) 6.271 6.613 ( -3.048 -3.339 3.431) 5.676 6.709 ( -1.772 -4.369 -3.986) 6.174 6.781 ( 0.174 0.060 3.081) 3.086 7.013 ( 4.050 -5.044 4.028) 7.620 7.033 ( -2.247 2.539 -0.148) 3.394 7.094 ( -0.683 1.808 -4.990) 5.351 7.154 ( 2.022 3.196 -0.074) 3.783 7.223 ( -3.158 -6.476 -3.184) 7.877 7.334 ( 2.735 -0.792 -2.826) 4.012 7.369 ( 7.095 0.750 1.159) 7.228 7.473 ( -0.639 5.835 0.287) 5.877 7.525 ( -1.789 -3.779 0.193) 4.185 7.586 ( -0.543 -5.512 2.639) 6.135 7.654 ( -5.331 -3.161 -5.631) 8.374 7.806 ( -2.249 2.375 -6.136) 6.953 7.826 ( -1.233 -5.312 1.067) 5.556 7.914 ( -2.123 -2.597 -3.280) 4.692 7.987 ( -1.691 0.163 1.292) 2.134 8.075 ( -1.156 11.511 -2.694) 11.878 8.163 ( 2.052 3.108 3.887) 5.383 8.175 ( 1.452 -1.518 1.232) 2.435 8.368 ( 1.951 2.322 4.424) 5.364 8.396 ( 4.802 -9.152 3.072) 10.783 8.521 ( -1.195 -0.226 1.109) 1.646 8.655 ( 0.378 4.543 6.022) 7.553 8.663 ( 2.989 -5.493 8.596) 10.630 8.734 ( 2.674 -1.086 2.965) 4.138 8.843 ( -5.051 -4.095 -5.750) 8.680 8.898 ( 1.277 -0.642 7.312) 7.450 8.981 ( 0.403 -0.370 2.039) 2.111 9.017 ( -4.371 1.830 -1.002) 4.843 9.082 ( 2.895 -0.704 -7.539) 8.107 9.160 ( -2.343 0.867 1.068) 2.717 9.249 ( 0.540 5.620 -5.078) 7.594 9.384 ( -3.563 2.445 -3.918) 5.833 9.468 ( -0.364 1.862 -8.784) 8.986 9.523 ( 1.794 8.119 -9.718) 12.790 9.653 ( -1.087 -1.861 0.763) 2.287 9.709 ( 3.946 5.130 -0.715) 6.511 9.813 ( -4.850 1.191 5.334) 7.307 9.854 ( 1.398 3.424 5.461) 6.596 9.913 ( 1.524 9.298 1.134) 9.490 9.992 ( 0.109 0.638 -1.658) 1.780 10.014 ( -0.789 11.474 2.064) 11.685 10.070 ( -1.336 6.340 2.533) 6.956 10.275 ( 3.686 12.841 -2.191) 13.538 10.355 ( -0.849 8.272 -3.453) 9.004 10.528 ( -2.421 9.428 4.625) 10.777 10.683 ( -0.064 6.287 0.560) 6.312 10.748 ( -0.236 8.896 -1.438) 9.014 10.818 ( 0.773 11.486 -1.014) 11.557 11.086 ( 4.529 -0.315 -0.433) 4.560 11.143 ( 0.366 -3.089 -2.637) 4.078 11.252 ( -3.716 -0.947 2.611) 4.639 11.275 ( 0.534 7.178 2.004) 7.472 11.407 ( -1.272 -2.352 3.979) 4.794 11.469 ( -1.811 2.711 -1.327) 3.520 11.551 ( 2.435 -5.177 -7.161) 9.165 11.620 ( 2.977 -2.344 -0.431) 3.814 11.817 ( 0.707 -2.987 4.956) 5.829 11.953 ( -0.663 -6.540 -2.357) 6.983 12.128 ( 0.365 -8.622 0.582) 8.649 12.216 ( -2.067 -7.096 -3.707) 8.269 12.349 ( -2.343 -7.851 3.636) 8.963 12.448 ( -1.009 -5.775 -0.149) 5.865 12.486 ( 2.627 -5.240 1.164) 5.976 12.550 ( -1.465 -11.163 -0.762) 11.285 12.634 ( 2.570 -9.386 1.690) 9.877 12.666 ( 0.081 -3.647 0.589) 3.695 13.359 ( -0.859 3.004 -1.364) 3.409 13.435 ( 0.755 2.727 -1.693) 3.298 13.501 ( -4.122 5.542 0.359) 6.916 13.562 ( 2.422 6.540 -3.213) 7.679 13.743 ( 3.207 2.746 -0.133) 4.224 13.810 ( -1.070 9.343 -4.721) 10.522 13.875 ( -1.633 4.530 3.051) 5.701 13.932 ( -0.035 4.891 0.484) 4.915 13.997 ( -0.483 7.308 2.433) 7.717 14.016 ( 0.021 5.973 2.577) 6.505 14.056 ( 1.092 3.820 1.032) 4.105 14.098 ( 0.370 7.625 1.570) 7.793 15.274 ( 1.553 -3.300 0.546) 3.688 15.310 ( -2.097 -3.709 -1.237) 4.437 15.333 ( -2.401 -4.486 1.406) 5.279 15.367 ( 3.047 -2.966 0.040) 4.252 15.589 ( 2.691 -3.650 2.133) 5.011 15.672 ( -3.271 -2.795 -1.189) 4.464 15.771 ( 3.727 -1.026 4.261) 5.754 15.939 ( 2.660 -2.827 6.865) 7.887 16.001 ( 3.615 -6.390 -3.449) 8.112 16.209 ( -14.110 -4.298 -4.579) 15.445 16.477 ( 20.063 -6.680 -1.242) 21.183 16.506 ( -17.432 -7.108 -1.520) 18.887 18.223 ( -0.153 3.911 3.330) 5.139 18.446 ( 0.875 1.460 -6.481) 6.701 18.453 ( -4.380 1.079 0.521) 4.541 18.523 ( 4.948 -0.758 -2.010) 5.394 18.653 ( -1.275 -0.206 0.715) 1.477 18.775 ( 1.849 2.114 -3.920) 4.822 18.808 ( 0.534 -0.080 4.544) 4.576 18.874 ( -1.349 0.662 -0.314) 1.535 18.964 ( -0.966 -2.072 2.976) 3.753 19.075 ( 0.996 1.127 -2.003) 2.505 19.255 ( 0.509 -0.587 0.034) 0.778 19.274 ( -1.137 0.961 -0.125) 1.494 21.399 ( 2.332 -2.712 0.797) 3.664 21.505 ( -1.430 -1.351 -1.525) 2.489 21.710 ( -4.784 1.475 3.077) 5.876 21.885 ( 5.167 -2.401 -1.218) 5.827 23.247 ( 1.025 -0.968 2.325) 2.718 23.354 ( -1.056 1.279 -2.502) 3.002 23.439 ( 0.272 -3.415 0.471) 3.458 23.456 ( -0.194 -2.149 -0.347) 2.185 23.795 ( 3.103 -0.185 -0.108) 3.110 23.831 ( -2.320 -0.462 -0.338) 2.390 23.851 ( -3.330 -1.597 0.514) 3.728 23.899 ( 2.573 -1.942 -0.782) 3.317 ======================= Grid point 79 (37/70) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -16.881 21.071 4.101) 27.309 1.795 ( -15.519 18.932 -5.069) 24.999 2.119 ( -6.114 1.853 7.760) 10.052 2.144 ( 7.673 6.782 -3.275) 10.752 2.355 ( 14.046 8.694 -2.458) 16.701 2.420 ( 2.583 7.326 1.178) 7.857 2.448 ( -1.947 6.417 2.681) 7.222 2.473 ( 1.230 0.899 -8.697) 8.829 2.643 ( -0.976 7.897 2.279) 8.277 2.681 ( 0.373 0.754 -4.254) 4.336 2.740 ( 1.100 10.395 -2.533) 10.756 2.873 ( 0.373 8.316 -1.387) 8.439 2.920 ( -1.010 2.473 1.722) 3.178 2.980 ( 5.115 1.349 1.485) 5.494 3.097 ( 2.952 -4.533 -1.675) 5.663 3.120 ( 1.304 -6.695 -1.406) 6.964 3.181 ( -4.463 0.268 8.764) 9.838 3.271 ( 4.856 5.375 -0.638) 7.272 3.358 ( -2.793 -3.319 -4.286) 6.098 3.459 ( 0.149 -4.513 7.649) 8.883 3.491 ( -4.245 -5.093 -1.964) 6.914 3.574 ( 3.081 -0.485 -1.037) 3.286 3.641 ( -1.317 -4.062 -0.367) 4.286 3.713 ( 1.151 -5.026 -0.187) 5.160 3.803 ( 6.349 -2.478 -2.082) 7.127 3.895 ( -1.326 -2.050 0.316) 2.461 3.952 ( 1.394 -5.399 4.555) 7.200 4.034 ( -1.331 -5.272 -3.710) 6.583 4.117 ( -2.768 -7.529 -2.785) 8.491 4.240 ( -4.229 -5.402 3.575) 7.736 4.290 ( -6.971 -5.027 2.084) 8.843 4.384 ( 1.174 -0.404 1.965) 2.324 4.480 ( -1.918 -12.221 9.142) 15.382 4.572 ( -3.345 -6.683 -1.676) 7.659 4.645 ( 3.276 -3.451 -4.221) 6.361 4.721 ( -0.578 -3.191 -1.208) 3.460 4.817 ( 2.892 0.673 -0.107) 2.971 4.907 ( -2.158 -1.914 -0.688) 2.965 4.946 ( 5.439 -8.815 -5.081) 11.537 5.017 ( 3.142 -10.212 -2.624) 11.002 5.164 ( 1.901 -1.732 0.302) 2.589 5.211 ( 6.185 -2.108 -1.815) 6.782 5.272 ( -0.745 -2.676 3.515) 4.481 5.345 ( -5.327 -1.033 -5.380) 7.641 5.367 ( -2.936 -3.434 -1.100) 4.650 5.408 ( 1.330 0.061 -1.495) 2.002 5.426 ( -0.280 0.565 2.523) 2.600 5.539 ( 3.919 -2.495 3.083) 5.576 5.607 ( -3.366 -1.511 3.172) 4.865 5.679 ( -0.967 -0.786 4.813) 4.972 5.778 ( 3.143 -4.166 1.411) 5.406 5.864 ( 3.296 4.464 -3.517) 6.569 5.926 ( -4.870 1.825 1.097) 5.315 6.013 ( -3.306 0.918 1.736) 3.845 6.091 ( 0.192 -3.080 -2.904) 4.238 6.168 ( -5.035 -4.614 3.427) 7.641 6.234 ( 1.307 -9.855 -0.698) 9.965 6.313 ( 0.533 5.497 1.084) 5.628 6.335 ( 0.138 -3.144 -1.330) 3.416 6.421 ( -1.348 -5.984 -0.858) 6.194 6.469 ( -3.967 0.893 2.476) 4.761 6.568 ( 5.105 -1.185 -6.455) 8.314 6.653 ( 6.810 -3.204 3.975) 8.511 6.722 ( 7.290 3.175 0.478) 7.965 6.805 ( 7.943 -0.388 5.346) 9.582 6.842 ( 4.754 -1.181 -1.840) 5.233 6.960 ( -1.259 2.354 -1.194) 2.925 7.026 ( -2.464 -1.743 4.693) 5.580 7.053 ( -3.833 -2.199 -4.403) 6.238 7.188 ( 7.197 3.180 -0.712) 7.900 7.231 ( 0.752 -5.785 -4.013) 7.081 7.309 ( -2.506 0.459 -6.208) 6.711 7.382 ( 1.326 -0.093 -5.054) 5.226 7.461 ( -4.018 -0.319 5.037) 6.451 7.524 ( -1.816 -1.850 -2.860) 3.860 7.545 ( 1.662 1.627 4.784) 5.319 7.645 ( 0.286 -3.765 6.389) 7.421 7.743 ( 0.902 -0.140 -3.960) 4.063 7.802 ( -0.121 -0.333 1.221) 1.271 7.934 ( -4.485 -6.745 3.300) 8.747 7.952 ( -0.706 -0.446 3.692) 3.786 8.027 ( 1.792 2.362 -2.536) 3.902 8.080 ( -8.603 -2.132 -1.616) 9.009 8.212 ( -0.307 6.070 -3.323) 6.927 8.404 ( 0.218 1.747 0.199) 1.772 8.473 ( -3.701 0.036 -3.167) 4.871 8.516 ( -0.395 -2.271 6.389) 6.792 8.639 ( -1.782 -4.194 2.240) 5.078 8.686 ( -5.310 -2.724 -2.690) 6.546 8.750 ( -1.315 0.572 -1.599) 2.148 8.879 ( -0.635 1.745 -2.595) 3.191 8.931 ( -1.121 -2.731 4.922) 5.739 8.934 ( -0.032 0.034 3.308) 3.309 9.042 ( 1.590 5.657 3.238) 6.709 9.087 ( 0.951 -3.097 -1.279) 3.483 9.150 ( 6.063 1.214 0.017) 6.183 9.240 ( -1.450 7.375 3.683) 8.370 9.277 ( -3.688 3.467 0.394) 5.077 9.370 ( 0.695 3.727 -6.151) 7.225 9.426 ( -1.553 9.471 -3.706) 10.288 9.646 ( -1.325 1.338 -2.189) 2.887 9.716 ( -10.616 3.775 -1.933) 11.432 9.781 ( 1.524 -0.031 -1.317) 2.014 9.850 ( 0.767 5.522 2.944) 6.305 9.951 ( -0.158 6.968 -1.385) 7.106 9.964 ( -3.026 8.907 1.204) 9.483 10.070 ( -0.316 8.693 2.912) 9.174 10.087 ( 4.509 4.385 0.815) 6.342 10.274 ( 0.834 12.132 -3.067) 12.542 10.356 ( 2.006 6.077 -1.118) 6.496 10.510 ( -3.683 4.948 4.213) 7.470 10.654 ( -1.508 12.644 -0.434) 12.741 10.814 ( 6.434 10.540 -0.887) 12.381 10.882 ( 3.993 -0.251 -0.003) 4.001 11.033 ( -0.330 5.310 -1.508) 5.530 11.163 ( -4.852 -1.054 -0.819) 5.033 11.198 ( 3.967 -3.913 0.165) 5.574 11.327 ( -2.822 0.633 1.323) 3.181 11.428 ( -0.102 0.681 3.147) 3.221 11.494 ( 2.443 -0.540 0.198) 2.510 11.528 ( 4.893 -4.412 -5.899) 8.844 11.683 ( 5.981 -3.724 -1.738) 7.257 11.879 ( -0.095 -2.232 4.170) 4.731 11.899 ( -1.615 -5.851 -2.823) 6.694 12.058 ( -6.511 -6.225 -0.805) 9.044 12.170 ( -3.839 -14.389 0.412) 14.898 12.356 ( 1.929 -4.232 3.585) 5.872 12.417 ( -3.388 -5.821 0.529) 6.756 12.465 ( -4.070 -2.887 -0.126) 4.991 12.578 ( 3.861 -11.195 -0.229) 11.845 12.705 ( 2.443 -12.105 -0.329) 12.353 12.715 ( 5.782 -1.866 -0.924) 6.145 13.324 ( -3.779 2.798 2.023) 5.119 13.414 ( 1.683 2.012 -1.624) 3.085 13.479 ( 1.039 7.758 0.154) 7.829 13.599 ( 2.077 5.489 -1.428) 6.040 13.694 ( -2.387 8.497 -2.201) 9.096 13.820 ( 3.163 3.495 -1.888) 5.077 13.884 ( -1.045 4.447 2.639) 5.276 13.943 ( -0.099 6.453 1.499) 6.625 13.986 ( -1.663 4.460 1.828) 5.099 14.033 ( -0.097 2.626 -0.879) 2.770 14.078 ( -0.827 9.459 0.926) 9.540 14.123 ( 1.366 6.461 0.138) 6.605 15.240 ( -3.399 -2.778 -1.010) 4.505 15.269 ( -3.643 -2.267 1.273) 4.476 15.310 ( -2.164 -2.256 0.710) 3.205 15.386 ( -0.720 -4.384 -0.731) 4.502 15.601 ( -1.824 -2.169 -2.348) 3.680 15.670 ( 2.152 -5.220 3.770) 6.789 15.826 ( -1.311 -3.126 0.939) 3.517 15.894 ( -10.322 -0.354 -4.230) 11.161 15.984 ( -1.069 -2.496 -3.224) 4.214 16.208 ( 0.264 -1.654 9.050) 9.204 16.268 ( 3.309 -8.357 0.221) 8.991 16.822 ( 20.583 -17.276 -1.419) 26.910 18.275 ( 0.452 3.666 3.621) 5.173 18.314 ( -2.963 1.325 -3.191) 4.552 18.474 ( 2.927 3.332 -1.100) 4.569 18.568 ( 2.386 0.496 -1.584) 2.907 18.651 ( -0.575 0.524 1.084) 1.334 18.743 ( -0.818 1.793 -2.569) 3.238 18.828 ( -2.028 0.799 -1.223) 2.499 18.838 ( -2.288 0.185 2.410) 3.328 19.006 ( 1.605 -1.918 2.379) 3.452 19.080 ( 2.205 0.512 -2.137) 3.113 19.247 ( -1.012 0.298 -0.176) 1.069 19.275 ( 0.586 -1.106 0.849) 1.512 21.417 ( -3.696 -1.774 -4.751) 6.276 21.458 ( 1.988 1.422 2.448) 3.459 21.695 ( -3.065 0.341 5.963) 6.713 21.946 ( 4.864 -3.564 -4.435) 7.485 23.309 ( 1.009 0.807 -1.603) 2.059 23.323 ( 2.612 -0.313 1.517) 3.037 23.454 ( 1.207 -2.139 -0.175) 2.462 23.470 ( 2.125 -2.743 0.182) 3.475 23.743 ( -5.104 0.288 -1.308) 5.277 23.789 ( -4.973 -1.841 1.002) 5.397 23.834 ( 0.464 -0.351 0.310) 0.659 23.931 ( 1.733 -2.802 -0.659) 3.360 ======================= Grid point 80 (38/70) ======================= q-point: (-0.17 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -13.913 26.349 0.063) 29.797 1.531 ( -15.194 24.776 11.607) 31.296 2.062 ( -1.843 5.403 -2.611) 6.277 2.299 ( 3.190 7.461 -9.300) 12.343 2.344 ( 4.283 6.552 3.512) 8.580 2.409 ( 0.711 8.991 -2.672) 9.407 2.512 ( 4.473 7.925 -2.465) 9.428 2.533 ( 1.377 2.694 0.102) 3.027 2.639 ( -0.818 16.760 2.330) 16.941 2.678 ( -0.088 11.551 3.083) 11.956 2.725 ( 8.777 7.419 -1.707) 11.619 2.886 ( 2.533 2.928 -1.066) 4.016 2.948 ( -0.066 1.537 1.501) 2.149 3.059 ( -1.862 -4.406 -1.132) 4.915 3.090 ( 1.733 -1.971 3.687) 4.526 3.101 ( -4.557 0.191 2.435) 5.170 3.218 ( -3.326 -2.381 3.369) 5.299 3.335 ( 5.326 -4.699 1.958) 7.368 3.363 ( -7.193 -4.855 0.620) 8.700 3.441 ( 7.962 -1.562 -1.827) 8.317 3.523 ( 1.210 -4.789 4.166) 6.462 3.565 ( 1.473 -1.695 -0.569) 2.316 3.645 ( 1.469 -0.598 -4.080) 4.378 3.724 ( -10.774 3.307 -0.884) 11.304 3.791 ( 0.520 -2.022 -0.649) 2.186 3.909 ( 3.329 -3.305 0.858) 4.769 3.977 ( 0.827 -5.357 -0.639) 5.458 4.030 ( -0.087 -7.663 2.131) 7.954 4.108 ( 6.389 -5.911 -8.134) 11.913 4.216 ( 1.102 -8.238 2.500) 8.679 4.270 ( 3.196 -7.240 -3.155) 8.520 4.387 ( -0.424 0.217 0.736) 0.876 4.484 ( 0.112 -6.400 -8.071) 10.301 4.544 ( 3.255 -4.505 -0.288) 5.566 4.661 ( -2.792 -8.934 3.027) 9.838 4.683 ( -4.869 -2.486 0.597) 5.500 4.825 ( -2.777 -1.676 -5.356) 6.262 4.851 ( -1.438 -11.413 5.606) 12.797 4.883 ( -1.257 1.739 -2.575) 3.352 4.952 ( -3.454 -10.131 -0.957) 10.746 5.129 ( -3.396 -0.905 -0.467) 3.545 5.135 ( -2.341 -6.115 -3.327) 7.345 5.273 ( -1.677 -6.337 -1.100) 6.647 5.355 ( -1.831 7.297 1.252) 7.627 5.396 ( -1.919 -4.760 3.601) 6.270 5.459 ( 1.779 -5.406 6.828) 8.889 5.571 ( 5.464 -4.783 3.122) 7.904 5.595 ( -0.188 -2.502 4.559) 5.204 5.652 ( -1.272 -6.711 1.644) 7.026 5.713 ( 3.631 -1.245 0.419) 3.861 5.764 ( -4.986 -1.997 1.444) 5.562 5.817 ( -0.135 1.146 -2.598) 2.843 5.884 ( 0.619 -3.239 -2.353) 4.051 6.021 ( 2.121 -1.155 2.788) 3.689 6.109 ( 0.563 1.743 -2.782) 3.331 6.183 ( 2.582 -3.675 -3.820) 5.896 6.246 ( -1.876 0.616 -0.702) 2.096 6.282 ( 0.532 -3.810 3.713) 5.347 6.359 ( -2.757 -0.000 2.161) 3.503 6.391 ( 7.497 -2.283 -7.124) 10.591 6.456 ( 2.092 -5.700 1.335) 6.217 6.588 ( 2.712 -1.664 -4.852) 5.802 6.767 ( 3.910 -1.574 -2.777) 5.048 6.791 ( 7.574 3.151 -1.874) 8.415 6.867 ( -5.020 -1.677 5.269) 7.469 6.904 ( -2.983 -0.737 1.432) 3.390 6.967 ( 4.278 -0.696 1.571) 4.610 7.009 ( -0.191 1.055 0.428) 1.154 7.076 ( -1.911 -6.951 4.651) 8.579 7.161 ( -0.425 -3.254 -0.229) 3.289 7.230 ( 4.327 -2.088 -8.031) 9.358 7.340 ( 7.538 2.735 1.564) 8.169 7.367 ( -1.227 -0.161 -5.221) 5.366 7.453 ( -1.894 0.499 5.374) 5.720 7.475 ( -5.028 0.337 -0.149) 5.042 7.602 ( 4.643 1.289 2.405) 5.386 7.640 ( -2.774 -4.627 1.561) 5.616 7.715 ( -2.855 -4.692 -1.644) 5.733 7.823 ( -3.840 0.761 5.431) 6.695 7.858 ( -4.301 -2.159 1.460) 5.029 7.916 ( -5.849 2.362 -3.123) 7.039 8.021 ( 3.506 -2.105 2.809) 4.962 8.115 ( 3.320 10.366 1.691) 11.015 8.202 ( 4.917 1.058 -0.020) 5.029 8.326 ( -7.093 -2.295 -2.136) 7.755 8.409 ( -8.411 1.769 0.444) 8.607 8.471 ( 1.579 3.213 -2.817) 4.556 8.576 ( -0.078 -4.196 -1.858) 4.590 8.612 ( -2.577 -3.172 -3.025) 5.084 8.708 ( -0.517 -7.337 -4.567) 8.657 8.892 ( 1.964 1.001 -4.294) 4.826 8.917 ( 0.707 2.840 0.394) 2.953 8.963 ( 0.767 4.188 3.776) 5.690 9.078 ( 2.095 1.059 -0.959) 2.535 9.126 ( 2.273 8.368 -0.642) 8.695 9.234 ( -2.133 6.772 -2.855) 7.652 9.261 ( 1.077 5.468 2.380) 6.060 9.286 ( -1.229 1.784 3.609) 4.209 9.324 ( -4.083 7.280 2.030) 8.589 9.403 ( -1.761 10.211 2.663) 10.698 9.488 ( -8.531 -1.798 2.140) 8.977 9.604 ( -0.554 7.803 0.663) 7.850 9.758 ( -0.778 5.846 -3.706) 6.965 9.792 ( -6.297 8.922 1.026) 10.968 9.919 ( -1.474 6.638 -2.687) 7.312 9.975 ( 1.062 7.639 1.207) 7.807 10.124 ( 2.822 10.543 1.214) 10.981 10.153 ( 3.249 9.103 0.004) 9.665 10.330 ( 4.551 2.529 -2.755) 5.891 10.349 ( -2.859 6.448 7.497) 10.293 10.477 ( -3.248 2.962 2.348) 4.983 10.631 ( -1.619 8.226 -2.863) 8.859 10.855 ( 1.978 -1.803 -4.046) 4.851 10.903 ( 6.078 6.394 -3.119) 9.357 11.105 ( 1.969 1.126 -0.445) 2.311 11.155 ( 3.298 -0.177 2.422) 4.096 11.235 ( -1.044 1.975 -0.445) 2.278 11.294 ( -2.739 -9.912 5.188) 11.518 11.387 ( -2.524 -4.987 0.161) 5.591 11.527 ( 3.366 -1.018 -3.984) 5.314 11.590 ( 5.467 2.434 0.013) 5.984 11.797 ( 7.392 -2.871 -0.983) 7.991 11.827 ( -1.902 -8.964 -2.749) 9.567 11.903 ( -7.181 -2.846 5.407) 9.429 11.968 ( -0.214 -8.306 -0.094) 8.309 12.074 ( -5.203 -12.672 -0.793) 13.722 12.348 ( -3.447 -5.384 -1.283) 6.520 12.364 ( -3.698 -1.112 -1.605) 4.182 12.508 ( 5.670 -3.606 2.848) 7.298 12.611 ( 0.312 -12.113 0.777) 12.142 12.714 ( 0.188 -11.881 -1.386) 11.963 12.807 ( 6.118 -1.385 -2.784) 6.862 13.292 ( -3.189 3.819 2.665) 5.644 13.441 ( 0.424 2.682 2.300) 3.558 13.535 ( 4.516 7.524 -2.478) 9.118 13.567 ( -0.912 3.216 2.093) 3.944 13.712 ( 0.129 7.645 2.957) 8.198 13.806 ( 1.501 4.546 -4.628) 6.658 13.903 ( -0.000 5.761 -1.158) 5.876 13.953 ( 0.276 7.655 -1.165) 7.748 13.979 ( -2.114 5.303 0.857) 5.773 14.016 ( -0.523 -0.451 1.981) 2.098 14.067 ( 1.591 8.110 -3.191) 8.860 14.130 ( 0.511 4.362 -1.424) 4.617 15.173 ( -3.108 -2.147 -0.987) 3.904 15.216 ( -3.067 0.357 0.900) 3.216 15.263 ( -3.491 -0.143 0.106) 3.496 15.315 ( -4.909 -3.551 -1.380) 6.214 15.592 ( 3.050 1.029 -1.249) 3.453 15.691 ( -2.840 0.143 -3.032) 4.156 15.759 ( -0.406 -5.045 2.750) 5.760 15.798 ( -1.632 -2.103 -1.269) 2.949 15.901 ( -7.011 0.062 1.879) 7.259 16.118 ( 2.323 -6.005 -8.219) 10.440 16.626 ( 8.755 -10.508 17.120) 21.913 17.090 ( 11.704 -30.648 -2.723) 32.919 18.281 ( 5.075 4.557 -1.286) 6.941 18.348 ( 2.752 4.339 1.272) 5.294 18.515 ( 1.078 5.609 0.721) 5.757 18.583 ( 1.182 0.883 -0.707) 1.636 18.628 ( -3.713 2.456 0.623) 4.495 18.691 ( -2.225 0.150 -1.005) 2.446 18.784 ( -5.748 1.321 0.999) 5.982 18.800 ( 1.123 0.913 -2.340) 2.751 19.052 ( 0.779 -1.179 1.557) 2.103 19.095 ( 2.016 -1.019 -1.557) 2.744 19.243 ( 0.205 -1.277 0.535) 1.400 19.285 ( -0.541 -1.224 0.386) 1.393 21.321 ( -2.353 -2.002 -0.820) 3.197 21.516 ( -0.107 4.727 3.812) 6.073 21.718 ( 0.547 2.487 1.001) 2.736 21.934 ( 1.808 -3.868 -6.939) 8.147 23.312 ( 2.097 1.224 -1.175) 2.697 23.395 ( 2.811 0.749 1.257) 3.169 23.487 ( 2.429 -1.508 0.092) 2.860 23.516 ( 2.748 -2.023 -0.015) 3.413 23.644 ( -4.944 -1.113 -0.613) 5.104 23.708 ( -4.845 -1.542 0.349) 5.097 23.829 ( -1.749 -1.025 1.762) 2.686 23.944 ( 0.689 -3.763 -0.610) 3.874 ======================= Grid point 81 (39/70) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -2.286 20.349 8.346) 22.113 1.991 ( -1.353 21.477 7.875) 22.915 2.211 ( 0.048 12.697 -5.753) 13.940 2.362 ( 1.849 6.257 -6.821) 9.439 2.426 ( 1.779 0.686 -0.789) 2.063 2.486 ( 1.253 -2.055 -1.039) 2.621 2.546 ( -0.305 2.920 -1.732) 3.409 2.623 ( -0.912 -2.073 -3.001) 3.760 2.772 ( 3.546 -2.895 -0.795) 4.646 2.813 ( 2.995 -2.174 -0.699) 3.766 2.914 ( -4.283 -1.372 1.787) 4.840 2.946 ( -3.071 2.421 3.835) 5.477 2.990 ( 2.295 -3.894 1.515) 4.767 3.048 ( 4.576 3.807 -1.361) 6.106 3.110 ( -2.724 -3.355 7.135) 8.342 3.171 ( 3.219 -0.199 0.550) 3.272 3.190 ( 0.784 0.404 4.205) 4.297 3.234 ( -1.826 -0.903 -0.949) 2.247 3.357 ( 3.285 -1.858 -3.829) 5.376 3.418 ( -3.857 -4.497 -2.521) 6.439 3.471 ( -6.131 4.429 1.960) 7.813 3.556 ( -1.451 -4.229 -0.046) 4.471 3.592 ( 1.072 2.310 0.166) 2.553 3.696 ( 1.153 -0.476 0.649) 1.406 3.782 ( 1.078 7.299 1.597) 7.549 3.866 ( 0.786 -6.197 4.455) 7.672 3.953 ( -1.170 -3.952 0.866) 4.212 3.999 ( -0.729 3.603 -6.107) 7.128 4.065 ( -1.419 -2.556 1.941) 3.509 4.117 ( 8.393 2.108 -5.925) 10.488 4.133 ( 0.356 -8.709 1.956) 8.933 4.239 ( -6.534 -6.904 -0.858) 9.545 4.389 ( -7.916 -0.743 -1.395) 8.072 4.447 ( 2.815 -5.654 0.229) 6.320 4.535 ( -0.456 -14.631 -1.717) 14.738 4.598 ( 9.537 -1.774 0.399) 9.709 4.661 ( 2.736 -2.554 1.373) 3.987 4.785 ( -4.757 -4.877 4.569) 8.203 4.795 ( -3.217 -1.829 -0.661) 3.759 4.890 ( 3.448 2.958 -4.208) 6.192 4.984 ( 3.941 -0.838 -3.784) 5.527 5.086 ( -0.677 -0.177 -0.265) 0.748 5.220 ( 5.452 1.112 5.215) 7.626 5.224 ( -5.670 -5.965 4.974) 9.616 5.365 ( -3.790 -2.897 -7.282) 8.706 5.389 ( 0.419 0.062 0.918) 1.011 5.472 ( -2.995 -4.402 -0.212) 5.329 5.504 ( -0.816 -2.746 -6.412) 7.023 5.585 ( -6.306 -5.304 5.916) 10.143 5.631 ( 2.486 -0.085 -2.990) 3.889 5.704 ( -1.830 0.124 1.038) 2.107 5.740 ( 0.280 -4.141 1.825) 4.534 5.885 ( 0.182 -0.157 3.336) 3.344 5.969 ( -0.288 -1.788 -11.955) 12.092 6.039 ( 2.062 -11.334 1.617) 11.633 6.086 ( 1.302 -3.713 -5.617) 6.858 6.120 ( -4.521 -4.077 0.991) 6.168 6.238 ( 0.237 -5.442 1.141) 5.565 6.364 ( 7.304 1.265 3.284) 8.107 6.438 ( 1.137 2.438 3.439) 4.366 6.489 ( -0.764 -2.702 -4.491) 5.297 6.578 ( 3.679 -2.423 -3.419) 5.576 6.704 ( -3.846 -0.050 1.527) 4.138 6.723 ( 1.030 -0.479 -1.337) 1.754 6.884 ( -1.235 -1.467 0.021) 1.918 6.903 ( 3.753 -1.909 1.149) 4.364 6.974 ( 3.677 -3.428 0.975) 5.121 7.012 ( -4.238 -0.026 5.924) 7.284 7.117 ( -2.707 1.508 -0.970) 3.247 7.162 ( 4.696 0.202 1.145) 4.838 7.190 ( 2.631 0.394 5.440) 6.055 7.333 ( -2.499 -0.475 -1.199) 2.812 7.404 ( 0.760 0.961 -1.113) 1.655 7.439 ( 0.379 -0.887 0.820) 1.266 7.545 ( -1.628 -1.814 0.511) 2.490 7.605 ( -3.239 2.567 0.647) 4.183 7.630 ( 0.787 1.225 -1.610) 2.171 7.740 ( -4.118 -1.513 -2.287) 4.948 7.764 ( -5.545 -1.879 1.491) 6.042 7.806 ( 8.584 2.010 -2.961) 9.300 7.949 ( -2.398 4.460 5.396) 7.400 8.016 ( -2.410 -0.951 3.047) 3.999 8.173 ( 4.502 -5.710 -1.453) 7.415 8.229 ( 1.165 -1.857 1.157) 2.479 8.315 ( -3.214 -2.526 1.889) 4.503 8.326 ( 0.378 6.121 -7.198) 9.457 8.435 ( -4.744 -3.251 -1.712) 6.000 8.562 ( 4.353 2.282 -8.119) 9.491 8.593 ( 7.166 5.491 10.125) 13.566 8.711 ( -1.179 3.867 1.907) 4.470 8.881 ( 2.236 -1.571 -0.848) 2.861 8.947 ( -0.654 -4.622 -3.320) 5.728 8.980 ( 0.955 5.283 -0.004) 5.368 9.081 ( -5.476 -2.728 -1.793) 6.375 9.186 ( -0.506 5.897 -4.178) 7.245 9.205 ( -0.554 -0.492 1.210) 1.419 9.298 ( 0.967 -3.962 3.393) 5.305 9.377 ( -3.375 9.239 -6.487) 11.783 9.436 ( -2.374 5.988 4.039) 7.603 9.516 ( -0.585 5.979 0.285) 6.014 9.723 ( 1.574 7.603 2.729) 8.230 9.815 ( 0.801 6.183 5.781) 8.502 9.840 ( 2.013 3.224 -5.054) 6.324 9.922 ( -0.072 3.287 2.797) 4.316 10.042 ( -0.412 10.578 0.088) 10.587 10.134 ( 1.963 0.653 -2.096) 2.945 10.214 ( 4.630 2.307 3.433) 6.208 10.303 ( -7.987 2.605 4.280) 9.429 10.439 ( -2.355 1.216 2.288) 3.502 10.548 ( -0.656 12.864 -4.666) 13.700 10.610 ( 1.527 4.740 -2.098) 5.403 10.681 ( 2.678 2.069 -1.270) 3.614 10.807 ( 7.403 5.820 -1.597) 9.551 10.960 ( -8.898 -5.557 -0.470) 10.502 11.046 ( 0.999 -0.006 -1.996) 2.232 11.150 ( -2.214 6.040 4.622) 7.921 11.206 ( 4.103 -4.190 -6.500) 8.755 11.302 ( 1.467 5.887 -2.142) 6.434 11.368 ( -0.227 -1.801 7.068) 7.297 11.543 ( -3.519 -3.294 0.823) 4.890 11.592 ( 2.168 -7.278 1.989) 7.850 11.625 ( -0.291 -6.479 -1.102) 6.579 11.746 ( 2.054 -1.696 0.865) 2.800 11.841 ( -0.893 -3.247 -1.713) 3.778 11.883 ( -0.812 -2.024 0.473) 2.232 11.931 ( 1.036 4.029 1.453) 4.406 12.219 ( -0.355 -2.121 -0.089) 2.152 12.282 ( -0.190 -0.876 -2.363) 2.527 12.401 ( -1.042 -7.339 -1.021) 7.482 12.453 ( 0.995 -10.583 -1.754) 10.774 12.524 ( -0.112 -6.328 4.183) 7.586 12.724 ( 0.663 -6.604 -5.709) 8.755 13.377 ( -3.178 4.466 7.067) 8.944 13.535 ( -0.520 0.952 2.560) 2.780 13.618 ( 1.580 1.741 2.008) 3.092 13.675 ( 2.997 0.650 -1.855) 3.584 13.814 ( -2.331 4.283 -0.090) 4.877 13.870 ( 2.915 3.069 -4.559) 6.221 13.969 ( -3.476 3.720 -0.307) 5.100 14.007 ( 0.189 0.644 0.611) 0.908 14.047 ( 0.327 2.370 2.069) 3.163 14.064 ( -0.872 2.929 1.528) 3.417 14.162 ( 0.685 4.979 -4.349) 6.647 14.202 ( 0.988 3.996 -3.018) 5.104 15.139 ( 0.767 0.282 1.453) 1.667 15.218 ( -0.984 0.934 -1.969) 2.391 15.230 ( -0.164 -0.185 1.376) 1.398 15.268 ( 0.918 0.849 -0.135) 1.258 15.673 ( -1.446 2.905 0.120) 3.247 15.679 ( 1.597 0.178 0.247) 1.625 15.729 ( 2.096 0.183 1.246) 2.445 15.755 ( -1.093 2.069 0.285) 2.357 15.869 ( 0.447 1.070 0.862) 1.445 16.002 ( 2.913 -3.942 -4.335) 6.544 16.395 ( -11.074 -17.597 3.666) 21.112 16.560 ( 4.927 -23.966 -3.443) 24.709 18.467 ( -1.449 6.002 1.118) 6.274 18.535 ( 0.099 6.592 -1.898) 6.860 18.587 ( 1.119 2.405 1.074) 2.861 18.624 ( 1.000 4.780 -0.478) 4.907 18.651 ( 0.026 2.298 0.213) 2.308 18.660 ( -0.586 0.598 -0.087) 0.841 18.792 ( -1.154 2.027 0.669) 2.427 18.829 ( 2.314 0.604 -1.039) 2.607 18.985 ( -2.040 -5.295 0.962) 5.755 19.042 ( 1.428 -5.355 -1.532) 5.750 19.250 ( 0.619 1.513 1.159) 2.004 19.283 ( -1.233 1.089 -0.410) 1.696 21.331 ( 2.418 -0.046 4.676) 5.265 21.494 ( -2.486 -3.095 -1.304) 4.178 21.779 ( -3.267 1.306 -0.865) 3.623 21.858 ( 4.109 -3.056 -2.012) 5.502 23.403 ( 2.349 3.446 0.554) 4.207 23.435 ( -2.416 1.741 -0.899) 3.111 23.517 ( -0.435 0.610 0.009) 0.749 23.524 ( -1.284 0.002 -0.308) 1.320 23.561 ( 3.735 -1.857 1.239) 4.352 23.594 ( -1.805 -3.358 -0.430) 3.836 23.774 ( -0.713 -4.027 1.893) 4.506 23.839 ( 0.606 -5.888 -1.083) 6.018 ======================= Grid point 82 (40/70) ======================= q-point: ( 0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 0.329 14.623 6.488) 16.001 2.103 ( 0.779 16.944 -4.489) 17.545 2.131 ( 4.502 16.730 6.572) 18.530 2.350 ( 4.205 7.591 -4.885) 9.958 2.461 ( -0.959 -0.813 -5.864) 5.997 2.471 ( -0.009 0.059 1.685) 1.686 2.518 ( 2.158 0.323 0.002) 2.182 2.591 ( -0.317 6.318 -2.091) 6.662 2.697 ( -5.005 -6.915 -4.303) 9.560 2.823 ( -4.897 0.764 -1.522) 5.185 2.866 ( -3.440 -1.369 1.995) 4.206 2.976 ( 2.369 1.181 3.087) 4.067 3.029 ( -5.124 -0.620 2.116) 5.579 3.045 ( -0.557 -0.545 -0.649) 1.014 3.093 ( -5.198 -2.645 0.909) 5.902 3.162 ( -0.861 -1.020 -1.752) 2.203 3.174 ( -6.630 -3.450 0.917) 7.530 3.274 ( 5.346 -0.299 0.225) 5.359 3.328 ( 1.503 -5.471 4.646) 7.333 3.407 ( -2.137 2.433 2.009) 3.811 3.472 ( 4.523 -3.464 0.518) 5.721 3.576 ( 1.006 0.287 -3.889) 4.027 3.591 ( -2.540 2.492 0.296) 3.571 3.684 ( -4.433 -2.615 3.684) 6.330 3.783 ( -0.969 -3.955 -1.490) 4.336 3.846 ( -4.575 1.222 -2.315) 5.271 3.887 ( -1.053 1.600 0.341) 1.945 3.944 ( -2.939 -7.829 -1.681) 8.530 4.045 ( -3.191 2.676 5.638) 7.009 4.094 ( -4.922 -5.551 -4.791) 8.832 4.165 ( 3.667 -0.748 -3.693) 5.258 4.252 ( 4.546 -2.735 3.098) 6.144 4.307 ( -1.751 6.725 2.705) 7.458 4.393 ( -6.113 -6.172 -1.306) 8.785 4.497 ( -0.861 -9.754 -1.036) 9.847 4.630 ( -0.394 -12.468 0.764) 12.498 4.670 ( 4.721 -3.648 -2.494) 6.466 4.766 ( -0.288 -6.687 3.907) 7.750 4.890 ( 7.180 8.210 -5.782) 12.344 4.969 ( -2.670 -10.455 -0.912) 10.829 5.066 ( 7.969 -4.158 3.107) 9.510 5.110 ( 9.351 1.798 -12.942) 16.068 5.236 ( -0.762 -2.690 6.141) 6.747 5.271 ( 2.974 -5.740 0.263) 6.471 5.376 ( 4.603 4.171 -3.836) 7.300 5.401 ( -1.262 4.031 6.483) 7.737 5.431 ( -0.409 -3.438 10.154) 10.728 5.541 ( 6.424 -1.240 2.877) 7.147 5.582 ( -1.835 -3.789 1.750) 4.559 5.649 ( 4.763 -3.820 -0.564) 6.132 5.745 ( 3.606 -0.405 2.974) 4.692 5.790 ( -0.447 -1.758 -7.552) 7.767 5.825 ( 5.151 1.077 4.265) 6.774 5.940 ( 4.219 -5.075 -4.687) 8.095 6.005 ( -2.706 -1.740 -2.619) 4.148 6.096 ( -0.560 -4.321 0.561) 4.393 6.158 ( 1.133 -9.909 1.710) 10.119 6.236 ( -1.516 -3.331 -0.191) 3.665 6.341 ( -7.976 -3.682 -1.871) 8.982 6.384 ( -2.349 2.716 -7.299) 8.134 6.501 ( 0.862 4.623 3.294) 5.742 6.593 ( 0.754 -4.059 0.363) 4.145 6.640 ( -5.591 -3.431 2.667) 7.082 6.731 ( -1.965 -1.325 0.272) 2.385 6.795 ( -4.191 2.492 -5.922) 7.671 6.893 ( -5.058 0.069 -2.089) 5.473 7.005 ( 6.597 0.515 -1.034) 6.698 7.017 ( -5.837 1.659 0.830) 6.124 7.122 ( 1.622 2.211 0.343) 2.764 7.169 ( -0.920 0.200 -0.255) 0.975 7.231 ( -2.514 -2.646 -2.932) 4.682 7.352 ( 4.098 -0.701 6.020) 7.316 7.413 ( -2.944 0.937 -3.401) 4.595 7.478 ( -1.067 -1.943 6.081) 6.472 7.489 ( -1.972 0.046 0.687) 2.088 7.544 ( 1.267 -4.676 -4.663) 6.724 7.591 ( -6.307 1.941 -2.886) 7.203 7.664 ( -1.246 -4.008 4.049) 5.832 7.765 ( 3.766 0.346 3.419) 5.098 7.908 ( 4.809 -4.493 -0.324) 6.589 7.947 ( -3.712 0.918 3.634) 5.276 8.054 ( 0.535 -1.007 7.469) 7.556 8.187 ( -4.656 3.521 -4.104) 7.136 8.231 ( 0.946 -4.577 -1.929) 5.056 8.299 ( 4.861 0.977 1.980) 5.339 8.357 ( 4.784 -0.088 -3.939) 6.197 8.399 ( 1.842 -1.537 0.484) 2.447 8.544 ( 2.611 4.565 -6.280) 8.191 8.648 ( -4.471 4.175 -0.918) 6.186 8.783 ( 2.503 1.953 2.078) 3.795 8.845 ( -0.126 -2.990 -2.302) 3.775 8.927 ( 0.195 -1.326 -3.373) 3.629 9.013 ( -0.084 2.501 0.479) 2.547 9.048 ( -3.133 6.939 -2.520) 8.020 9.072 ( -1.844 7.792 4.991) 9.435 9.211 ( 3.602 2.059 -1.385) 4.374 9.266 ( -3.537 -3.555 3.646) 6.200 9.396 ( 3.879 -2.307 2.381) 5.103 9.436 ( -0.041 7.616 3.604) 8.426 9.593 ( 4.011 3.258 1.974) 5.532 9.725 ( -3.697 -0.214 -1.314) 3.929 9.777 ( -0.211 2.348 -4.862) 5.403 9.876 ( -1.004 3.010 2.898) 4.297 9.954 ( -3.108 0.200 3.749) 4.874 10.036 ( 2.504 11.773 -4.349) 12.798 10.154 ( 1.946 6.918 -0.261) 7.191 10.182 ( -4.452 5.456 -1.186) 7.141 10.349 ( 0.613 2.803 6.620) 7.215 10.431 ( -0.777 2.453 1.345) 2.904 10.519 ( 3.130 13.535 -2.971) 14.206 10.644 ( 4.478 7.958 -0.902) 9.175 10.711 ( 4.060 4.452 -3.868) 7.160 10.840 ( -1.295 3.136 -2.140) 4.012 10.915 ( 0.674 -2.258 2.097) 3.155 11.043 ( 1.717 -0.507 -0.357) 1.825 11.148 ( -2.616 7.007 2.327) 7.833 11.191 ( 1.957 -3.674 -5.414) 6.829 11.339 ( 5.254 4.600 -0.253) 6.988 11.404 ( -5.600 -4.601 4.959) 8.782 11.499 ( -1.031 -6.228 1.087) 6.405 11.595 ( 0.845 -2.018 -3.833) 4.413 11.671 ( 2.968 -11.536 1.362) 11.989 11.767 ( -1.826 1.493 -3.143) 3.930 11.778 ( -3.217 0.745 4.004) 5.190 11.875 ( 0.322 -4.693 -0.505) 4.731 12.011 ( 5.534 0.624 0.513) 5.593 12.237 ( 1.745 -1.534 1.269) 2.647 12.278 ( 2.483 -0.148 -2.616) 3.610 12.343 ( -4.112 -7.695 0.907) 8.772 12.440 ( -1.226 -9.996 -1.683) 10.210 12.544 ( -2.245 -6.358 2.604) 7.228 12.666 ( -0.226 -5.666 -3.690) 6.765 13.415 ( -1.822 4.557 6.560) 8.193 13.527 ( -2.275 0.698 0.845) 2.525 13.673 ( -1.328 2.315 1.784) 3.210 13.680 ( 2.437 1.217 -1.876) 3.308 13.758 ( 0.934 3.421 -5.842) 6.834 13.888 ( 1.688 3.148 0.864) 3.675 13.934 ( -1.425 2.096 0.617) 2.609 14.028 ( 0.949 1.091 2.138) 2.581 14.068 ( -1.054 4.989 3.834) 6.380 14.081 ( 0.329 1.571 1.387) 2.121 14.121 ( 1.306 6.391 -5.303) 8.407 14.191 ( 1.746 4.411 -3.789) 6.072 15.176 ( 0.519 -0.626 -0.489) 0.949 15.190 ( 1.199 0.717 0.063) 1.399 15.244 ( 0.176 -0.591 1.123) 1.281 15.289 ( 1.686 -1.288 -1.210) 2.442 15.610 ( -3.819 1.406 -1.077) 4.210 15.666 ( -3.165 0.520 1.944) 3.751 15.767 ( 4.562 2.861 -1.551) 5.604 15.791 ( -0.740 -1.636 -0.486) 1.860 15.946 ( 3.659 0.029 -1.662) 4.019 15.976 ( 4.586 -0.405 -3.525) 5.798 16.258 ( -9.021 -16.083 8.042) 20.118 16.616 ( 2.550 -21.513 -0.212) 21.664 18.380 ( -5.984 6.331 0.658) 8.737 18.439 ( -5.254 4.506 -0.581) 6.946 18.588 ( -3.600 0.908 -0.176) 3.717 18.658 ( -0.145 0.146 1.185) 1.203 18.704 ( 5.075 6.910 -0.777) 8.608 18.714 ( 4.775 3.430 -0.646) 5.914 18.764 ( -1.421 -0.774 0.175) 1.627 18.859 ( 2.627 0.336 -1.320) 2.959 18.946 ( -3.540 -3.742 1.835) 5.468 19.056 ( 1.726 -4.647 -1.562) 5.197 19.255 ( -1.023 0.674 -0.590) 1.360 19.287 ( 1.501 1.803 1.503) 2.787 21.408 ( -2.582 -1.730 -3.900) 4.986 21.450 ( 2.508 -2.031 5.138) 6.068 21.704 ( -4.061 1.908 1.441) 4.713 21.881 ( 1.220 -3.738 -3.288) 5.126 23.337 ( -5.460 1.351 -1.272) 5.767 23.426 ( -1.438 1.999 1.175) 2.728 23.466 ( -3.811 -0.764 -0.191) 3.891 23.480 ( -3.060 -1.039 0.544) 3.277 23.631 ( 5.255 -1.502 -0.849) 5.531 23.671 ( 6.260 -0.846 0.675) 6.353 23.803 ( 0.967 -4.243 1.333) 4.551 23.848 ( 1.803 -4.542 -1.039) 4.996 ======================= Grid point 83 (41/70) ======================= q-point: ( 0.33 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 4.706 10.074 1.191) 11.182 2.142 ( 3.235 13.364 3.422) 14.170 2.254 ( 5.681 7.576 -1.587) 9.601 2.381 ( -6.569 2.579 -3.642) 7.942 2.392 ( 1.509 4.165 2.199) 4.946 2.437 ( 5.220 6.720 -5.824) 10.311 2.531 ( -1.989 6.514 -1.597) 6.996 2.569 ( 3.693 4.758 -1.096) 6.122 2.629 ( 0.640 -1.351 -0.161) 1.504 2.724 ( -4.760 0.495 0.228) 4.791 2.793 ( -2.402 4.408 -2.327) 5.533 2.902 ( -8.591 -5.806 -0.474) 10.380 2.970 ( -4.382 -6.061 -0.675) 7.509 3.027 ( -3.257 0.210 4.269) 5.374 3.070 ( -6.908 0.691 0.045) 6.942 3.104 ( 3.394 -2.460 -0.388) 4.210 3.126 ( -2.727 0.540 1.986) 3.417 3.313 ( -1.822 1.869 -1.163) 2.858 3.353 ( -6.062 -4.143 4.205) 8.461 3.443 ( -2.932 -8.971 1.943) 9.636 3.465 ( 0.410 -2.036 2.614) 3.339 3.545 ( 7.843 -3.997 -6.309) 10.830 3.578 ( 1.796 2.271 -1.155) 3.117 3.673 ( -1.926 -2.408 -1.232) 3.320 3.728 ( -5.930 2.823 0.480) 6.585 3.781 ( -3.854 -6.899 4.329) 9.010 3.812 ( -0.396 -6.254 -7.509) 9.780 3.928 ( 1.834 -10.499 1.853) 10.818 3.994 ( -0.446 0.163 0.269) 0.546 4.041 ( -3.090 1.102 0.302) 3.295 4.204 ( -0.064 -3.229 5.504) 6.382 4.295 ( 5.948 -7.778 -5.802) 11.381 4.338 ( -1.457 -5.355 4.416) 7.092 4.442 ( 0.906 -0.000 8.114) 8.164 4.489 ( -0.802 -5.675 3.025) 6.480 4.639 ( -3.614 -9.063 4.004) 10.546 4.719 ( 8.590 7.047 -7.551) 13.434 4.856 ( 6.518 -3.813 -1.670) 7.734 4.882 ( 3.085 0.126 -7.496) 8.107 5.024 ( 5.771 -3.548 -0.502) 6.793 5.088 ( 2.674 -0.271 0.987) 2.863 5.109 ( 3.107 -5.662 -3.742) 7.464 5.175 ( -2.101 -0.071 -4.984) 5.410 5.347 ( 0.081 3.065 -1.055) 3.243 5.413 ( -1.702 -2.951 6.048) 6.941 5.501 ( -0.419 -7.186 0.798) 7.242 5.528 ( -3.843 2.585 8.045) 9.283 5.573 ( -0.298 -0.940 1.636) 1.911 5.646 ( 0.977 -3.073 -3.373) 4.667 5.774 ( 2.424 -1.908 -2.289) 3.841 5.796 ( 3.557 1.125 -1.730) 4.112 5.832 ( 1.913 -2.920 1.840) 3.947 5.878 ( -6.975 2.018 4.976) 8.803 5.957 ( -2.872 -1.370 5.163) 6.064 6.003 ( 7.714 0.175 -1.039) 7.786 6.053 ( 5.861 -0.747 -1.650) 6.135 6.150 ( 1.158 1.914 -6.801) 7.160 6.181 ( 5.751 -2.892 -0.651) 6.470 6.302 ( 2.797 -1.591 -0.061) 3.218 6.359 ( 3.677 0.009 -0.150) 3.681 6.481 ( -7.068 3.582 4.901) 9.317 6.588 ( -3.402 4.128 3.282) 6.276 6.603 ( -4.932 -3.551 2.035) 6.409 6.661 ( -4.023 0.291 3.243) 5.175 6.732 ( -0.875 -4.197 -0.717) 4.347 6.753 ( -4.821 -3.915 -3.375) 7.068 6.860 ( -7.654 -2.987 -1.491) 8.351 7.085 ( -3.972 0.566 -4.020) 5.679 7.093 ( 5.475 -2.408 -3.858) 7.117 7.172 ( 1.363 1.900 -1.646) 2.859 7.224 ( 3.830 -0.507 -0.048) 3.864 7.318 ( -2.044 1.588 -5.861) 6.407 7.350 ( -2.026 -1.511 -4.060) 4.782 7.425 ( -3.769 -5.740 1.159) 6.964 7.522 ( 0.495 0.724 1.045) 1.365 7.541 ( 1.311 -2.717 0.048) 3.017 7.581 ( -0.719 0.527 6.094) 6.159 7.710 ( 3.004 -1.689 2.412) 4.207 7.882 ( -0.891 -4.516 4.950) 6.759 7.903 ( -5.747 -2.968 2.044) 6.783 7.938 ( 0.411 -5.748 -0.934) 5.838 8.094 ( -1.399 -4.552 -4.196) 6.347 8.148 ( 5.428 -2.228 0.146) 5.869 8.256 ( 2.341 1.481 3.874) 4.763 8.316 ( 0.010 6.053 -2.819) 6.677 8.413 ( 1.313 -1.352 0.749) 2.028 8.442 ( -2.028 2.661 -2.553) 4.209 8.546 ( 0.887 2.917 1.440) 3.372 8.602 ( 6.515 -3.056 1.982) 7.464 8.735 ( -5.263 2.538 -3.477) 6.799 8.790 ( -3.431 3.993 -0.766) 5.320 8.864 ( 3.364 -0.368 -3.522) 4.885 8.970 ( 1.198 -1.837 -1.094) 2.451 9.113 ( -0.588 4.663 4.147) 6.268 9.144 ( -0.605 2.548 0.601) 2.687 9.237 ( -2.936 2.633 2.150) 4.492 9.340 ( 9.783 -2.247 1.778) 10.193 9.434 ( 0.722 2.236 -2.954) 3.774 9.536 ( -3.104 3.086 -0.913) 4.471 9.595 ( 1.389 -3.406 3.642) 5.176 9.631 ( -1.260 0.176 -0.600) 1.406 9.749 ( -0.561 3.138 -0.446) 3.219 9.869 ( -1.539 0.884 -0.131) 1.780 9.886 ( -7.535 -2.192 3.564) 8.619 10.020 ( 1.517 8.062 -3.977) 9.117 10.127 ( 0.295 9.081 0.171) 9.088 10.224 ( 4.530 10.427 -2.657) 11.675 10.337 ( -4.416 11.819 1.465) 12.702 10.458 ( 2.606 7.755 1.524) 8.322 10.606 ( 4.567 5.735 2.432) 7.725 10.695 ( 2.485 18.603 -1.810) 18.856 10.738 ( -0.779 1.121 0.999) 1.691 10.861 ( 5.418 6.231 -2.367) 8.590 10.934 ( 3.658 -4.966 1.279) 6.299 11.065 ( 0.049 3.604 -0.712) 3.674 11.103 ( -4.278 0.416 -0.652) 4.347 11.164 ( -0.300 -2.786 1.465) 3.162 11.328 ( -7.263 -1.566 2.150) 7.735 11.437 ( 4.260 -0.729 -2.686) 5.089 11.483 ( 3.612 -4.056 -5.644) 7.833 11.599 ( 1.449 -1.236 0.554) 1.983 11.654 ( -2.544 -5.380 -0.390) 5.964 11.734 ( -2.613 3.975 0.154) 4.760 11.799 ( 0.628 -3.021 3.313) 4.527 11.885 ( 1.989 -7.322 -0.416) 7.599 12.093 ( 4.448 -0.778 -1.065) 4.639 12.272 ( -0.692 -1.205 0.669) 1.542 12.284 ( -2.152 -11.841 -0.309) 12.039 12.323 ( 2.831 -4.023 1.322) 5.094 12.421 ( -0.538 -1.356 2.042) 2.509 12.488 ( -2.348 -8.804 -2.684) 9.499 12.643 ( -2.151 -2.882 1.588) 3.931 13.455 ( -0.443 2.778 2.214) 3.579 13.485 ( -1.908 1.693 -0.605) 2.622 13.658 ( -0.085 4.629 -0.104) 4.630 13.668 ( -0.986 1.847 -5.311) 5.708 13.730 ( 2.090 1.566 -0.890) 2.759 13.914 ( -2.494 -0.055 2.900) 3.825 13.945 ( 2.912 2.305 -0.278) 3.724 14.024 ( -1.786 -0.115 -2.838) 3.356 14.082 ( 0.554 5.898 -1.350) 6.076 14.119 ( 1.315 6.718 4.022) 7.939 14.157 ( 1.977 5.375 3.451) 6.687 14.167 ( 0.524 4.156 -1.176) 4.351 15.180 ( 2.036 -1.478 -1.001) 2.708 15.232 ( 1.937 -1.668 1.192) 2.821 15.258 ( -0.579 -1.904 1.476) 2.478 15.287 ( 0.109 -3.661 -1.717) 4.045 15.545 ( -1.924 -0.324 -0.808) 2.112 15.664 ( -0.932 -1.132 2.710) 3.082 15.696 ( -2.828 -3.497 -3.581) 5.749 15.801 ( 0.965 -0.367 -1.807) 2.081 15.953 ( 2.431 1.703 1.538) 3.343 16.152 ( 11.967 -0.414 -0.464) 11.983 16.230 ( -5.375 -8.339 4.772) 11.009 16.584 ( -6.740 -13.710 -0.766) 15.296 18.311 ( -2.187 5.544 -0.299) 5.967 18.400 ( 0.961 1.172 0.565) 1.617 18.524 ( -3.232 0.125 0.108) 3.237 18.610 ( -4.513 -1.196 -2.685) 5.386 18.695 ( -3.223 2.530 1.675) 4.426 18.775 ( 2.487 2.936 -0.117) 3.849 18.798 ( 4.518 1.120 -3.293) 5.702 18.869 ( -0.116 -1.133 0.050) 1.140 18.953 ( -0.198 1.839 4.223) 4.610 19.062 ( 1.245 -3.264 -1.383) 3.757 19.239 ( -0.453 0.224 0.166) 0.532 19.322 ( 0.865 1.984 0.419) 2.205 21.332 ( -0.561 -1.142 -2.832) 3.105 21.490 ( -2.397 -3.052 1.882) 4.313 21.725 ( 2.282 0.568 3.395) 4.130 21.827 ( -2.243 -3.140 -3.283) 5.067 23.250 ( -3.422 1.123 0.330) 3.616 23.392 ( -2.756 -2.166 0.098) 3.506 23.414 ( -1.213 0.704 -0.754) 1.593 23.443 ( -2.082 -1.263 0.130) 2.439 23.718 ( 4.938 -0.117 0.184) 4.943 23.773 ( 4.891 -1.452 -0.084) 5.103 23.818 ( -0.534 -3.407 0.707) 3.520 23.863 ( 0.698 -2.706 -0.865) 2.925 ======================= Grid point 84 (42/70) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 1.563 5.988 -1.045) 6.277 2.213 ( 3.386 4.040 -4.165) 6.718 2.233 ( -7.989 9.131 2.785) 12.448 2.352 ( 1.796 8.756 2.548) 9.294 2.381 ( -2.217 8.004 0.245) 8.309 2.482 ( 7.599 7.469 -4.995) 11.768 2.556 ( 0.862 4.520 -0.020) 4.602 2.618 ( 2.410 1.968 0.228) 3.120 2.639 ( 0.637 2.571 -0.490) 2.694 2.669 ( 0.925 -0.820 -0.210) 1.254 2.754 ( -5.939 -3.371 -1.252) 6.943 2.818 ( 4.367 4.382 0.820) 6.240 2.903 ( -1.669 -6.042 -1.602) 6.470 2.956 ( 0.777 -0.337 -2.990) 3.108 3.049 ( -1.024 1.640 5.691) 6.010 3.068 ( -5.350 5.193 1.854) 7.683 3.181 ( 5.567 -4.268 0.312) 7.021 3.304 ( -4.560 2.673 5.392) 7.550 3.326 ( -1.220 -10.011 0.056) 10.085 3.371 ( -1.409 -6.957 -0.253) 7.103 3.479 ( 1.456 -1.997 -1.563) 2.925 3.548 ( -0.898 -1.597 -1.578) 2.418 3.592 ( 0.687 -2.360 -2.218) 3.310 3.638 ( -1.918 -7.016 -0.870) 7.325 3.723 ( -1.201 -3.660 -4.943) 6.267 3.749 ( 2.163 1.204 4.381) 5.032 3.818 ( 5.768 -7.706 -1.176) 9.698 3.925 ( 0.427 -2.120 -3.299) 3.945 4.040 ( -1.717 -3.749 4.315) 5.968 4.048 ( 5.772 -9.744 2.063) 11.512 4.240 ( -3.880 -0.512 5.550) 6.791 4.278 ( -4.203 -9.750 3.974) 11.336 4.393 ( -11.220 -0.913 3.963) 11.935 4.464 ( 7.353 -6.089 1.171) 9.619 4.541 ( -0.954 -5.931 5.298) 8.010 4.624 ( -3.450 -9.274 4.698) 10.954 4.693 ( 3.942 -1.943 -13.064) 13.784 4.901 ( 1.889 1.558 -5.003) 5.570 4.909 ( 2.736 -1.218 -5.101) 5.915 5.010 ( 3.049 0.280 -8.022) 8.587 5.111 ( 1.633 4.228 -1.054) 4.653 5.183 ( 6.729 -1.032 0.923) 6.870 5.266 ( 4.696 0.535 5.974) 7.617 5.285 ( -4.171 1.069 1.149) 4.456 5.371 ( -8.051 0.100 -3.664) 8.846 5.427 ( -2.419 1.430 -1.325) 3.107 5.474 ( -0.476 0.432 -0.629) 0.900 5.557 ( -2.822 -3.245 3.787) 5.730 5.625 ( -0.637 -2.797 -0.959) 3.024 5.721 ( -3.550 2.490 -4.089) 5.960 5.761 ( -5.129 -0.503 1.156) 5.282 5.827 ( 3.267 -3.685 1.389) 5.116 5.865 ( 1.653 0.623 -2.186) 2.810 6.012 ( -0.328 -1.636 4.400) 4.706 6.072 ( 1.946 -3.720 1.235) 4.375 6.162 ( 3.757 3.588 2.198) 5.641 6.198 ( -2.167 0.103 -0.347) 2.197 6.226 ( 0.391 1.390 -6.067) 6.236 6.361 ( 1.265 -3.306 -5.357) 6.421 6.414 ( 4.202 1.308 0.223) 4.407 6.466 ( -9.392 -1.644 3.241) 10.070 6.527 ( 5.631 1.947 2.363) 6.409 6.559 ( -6.932 -0.287 6.930) 9.806 6.618 ( -0.363 0.659 7.790) 7.827 6.678 ( 0.294 4.069 1.783) 4.452 6.817 ( 3.178 0.134 3.663) 4.851 6.886 ( 5.304 -3.633 7.732) 10.055 7.020 ( 3.579 -3.227 -0.845) 4.893 7.125 ( -2.850 -3.507 -4.266) 6.215 7.140 ( -0.038 0.827 -8.300) 8.341 7.201 ( 0.859 -1.101 -0.483) 1.477 7.270 ( 4.757 -5.541 -10.432) 12.735 7.325 ( 4.408 -2.130 -3.944) 6.286 7.402 ( -0.953 -6.799 2.315) 7.245 7.484 ( -4.569 -0.383 0.059) 4.586 7.554 ( -1.330 2.708 2.020) 3.631 7.633 ( 2.321 0.636 1.305) 2.738 7.744 ( -2.667 -6.998 -5.566) 9.331 7.809 ( 0.116 4.104 1.562) 4.393 7.873 ( -7.021 -6.773 6.831) 11.909 7.965 ( -1.859 -0.600 0.417) 1.998 8.041 ( -0.171 -7.946 -0.785) 7.987 8.110 ( -0.610 -0.312 -6.148) 6.186 8.255 ( -2.207 0.446 -5.552) 5.991 8.382 ( 3.937 2.462 4.768) 6.655 8.439 ( 6.801 2.749 6.877) 10.055 8.533 ( -8.122 1.299 0.239) 8.229 8.553 ( 1.335 -4.822 3.204) 5.941 8.639 ( 2.738 -4.617 5.637) 7.783 8.739 ( 8.279 -0.528 -1.253) 8.390 8.772 ( -3.110 1.012 -1.331) 3.531 8.928 ( -0.426 -2.730 -3.003) 4.081 8.985 ( 5.566 3.137 0.645) 6.422 9.045 ( -0.294 -0.930 -2.402) 2.593 9.099 ( -3.852 4.544 -0.879) 6.021 9.189 ( -6.032 3.715 -0.956) 7.149 9.342 ( -1.468 -3.760 -7.264) 8.311 9.413 ( 1.123 5.923 -1.246) 6.156 9.522 ( 3.772 3.857 -1.351) 5.561 9.601 ( -1.099 1.916 -3.149) 3.846 9.643 ( -6.708 0.782 4.072) 7.886 9.799 ( 2.299 0.300 6.853) 7.235 9.821 ( -2.619 -0.047 -1.078) 2.833 9.863 ( -0.731 0.031 6.262) 6.305 10.014 ( 4.170 6.454 -4.113) 8.715 10.167 ( 0.264 9.659 -0.149) 9.664 10.207 ( 1.465 8.529 -2.186) 8.926 10.310 ( -1.218 12.229 -0.372) 12.295 10.511 ( 0.022 14.085 1.725) 14.190 10.664 ( -1.315 13.618 -3.028) 14.012 10.699 ( 0.008 9.719 4.275) 10.617 10.736 ( -0.850 1.323 2.792) 3.204 10.904 ( 3.530 5.899 -1.825) 7.113 10.979 ( -1.993 0.492 -4.153) 4.633 11.065 ( 1.467 2.024 1.457) 2.894 11.114 ( 4.743 -2.193 1.915) 5.566 11.179 ( -3.966 -4.864 5.207) 8.155 11.233 ( -3.947 -0.758 1.615) 4.332 11.416 ( 3.625 -4.838 -6.279) 8.717 11.503 ( 5.496 -7.025 -7.957) 11.952 11.597 ( -5.219 5.671 -0.123) 7.708 11.618 ( 1.181 5.763 -1.391) 6.045 11.727 ( -0.734 -4.252 4.734) 6.405 11.816 ( -0.945 -4.969 0.676) 5.103 11.937 ( 0.704 -6.347 3.224) 7.154 12.107 ( -0.537 -4.346 -2.990) 5.302 12.250 ( 0.462 -7.002 0.866) 7.070 12.299 ( -1.183 -5.474 -0.193) 5.604 12.361 ( 0.967 -2.534 -0.057) 2.713 12.367 ( -0.550 -5.427 -0.135) 5.456 12.536 ( 1.505 -2.909 3.942) 5.125 12.612 ( -0.870 -3.193 -0.103) 3.311 13.417 ( -1.844 2.593 -1.518) 3.526 13.471 ( -0.612 0.914 -1.814) 2.121 13.603 ( -1.166 4.184 -0.908) 4.437 13.671 ( 2.679 3.609 -2.123) 4.971 13.776 ( 2.977 1.401 1.194) 3.501 13.911 ( -2.109 -0.059 2.055) 2.945 13.930 ( -1.856 2.376 -5.140) 5.959 13.981 ( 1.742 0.497 -0.499) 1.879 14.077 ( -0.574 4.107 0.503) 4.177 14.119 ( -1.524 3.540 -1.476) 4.128 14.204 ( 1.012 7.237 5.364) 9.064 14.250 ( 0.941 5.940 3.634) 7.026 15.212 ( 1.882 -2.676 -0.202) 3.278 15.234 ( -1.739 -3.177 -1.100) 3.786 15.258 ( -1.815 -2.744 2.229) 3.974 15.302 ( 2.202 -3.365 0.594) 4.065 15.539 ( 1.269 -1.335 0.731) 1.982 15.611 ( -1.635 -2.646 -2.366) 3.908 15.730 ( 1.813 -2.361 3.231) 4.393 15.821 ( 3.386 -4.415 0.204) 5.568 16.013 ( 0.676 2.990 3.867) 4.935 16.138 ( -7.582 -1.487 0.065) 7.727 16.346 ( 12.046 -5.819 -3.162) 13.746 16.386 ( -11.679 -6.067 -3.334) 13.577 18.309 ( 0.886 4.443 1.693) 4.837 18.428 ( -0.336 -1.360 -4.000) 4.238 18.465 ( -2.400 -0.052 1.316) 2.738 18.541 ( 3.300 0.133 -2.139) 3.935 18.663 ( -2.363 1.172 1.131) 2.870 18.791 ( 2.299 -1.309 -3.998) 4.795 18.835 ( 2.010 2.798 0.981) 3.582 18.865 ( -1.404 1.017 0.510) 1.807 18.981 ( -2.801 1.790 4.182) 5.342 19.076 ( 1.719 -1.218 -0.746) 2.235 19.246 ( 0.237 0.689 1.455) 1.627 19.317 ( -0.800 2.433 -1.296) 2.870 21.341 ( 2.628 -2.525 1.056) 3.794 21.451 ( -2.134 -3.761 -2.037) 4.780 21.733 ( -3.763 0.680 1.157) 3.995 21.826 ( 3.971 -2.919 -0.160) 4.931 23.243 ( 0.618 0.755 2.669) 2.841 23.359 ( -0.410 -1.442 -1.654) 2.232 23.394 ( 0.266 -0.281 -0.657) 0.762 23.415 ( -0.484 -1.605 -0.684) 1.810 23.789 ( 0.997 -0.906 0.737) 1.536 23.796 ( -1.214 -1.721 1.296) 2.473 23.827 ( -0.472 -1.297 -0.932) 1.666 23.849 ( 0.709 -2.600 -1.086) 2.905 ======================= Grid point 85 (43/70) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -11.068 16.920 5.002) 20.828 2.115 ( 0.559 8.455 -1.468) 8.600 2.209 ( -11.945 10.608 0.662) 15.989 2.264 ( 7.507 1.993 -5.210) 9.353 2.469 ( 3.038 3.991 0.904) 5.096 2.493 ( 0.667 1.989 -4.219) 4.712 2.577 ( -0.859 6.529 -2.406) 7.011 2.590 ( 2.652 8.049 2.022) 8.713 2.674 ( 3.835 -1.105 -3.945) 5.612 2.706 ( 1.309 0.999 1.058) 1.957 2.751 ( 6.261 -8.919 0.895) 10.934 2.876 ( -0.088 -5.842 -1.247) 5.974 2.891 ( 3.409 0.774 -2.447) 4.267 3.018 ( 0.511 5.747 4.026) 7.036 3.061 ( 8.203 1.453 -2.580) 8.721 3.112 ( 0.954 0.662 3.104) 3.314 3.232 ( -3.630 1.828 2.467) 4.755 3.270 ( -3.566 -7.868 -0.196) 8.640 3.331 ( 0.027 -3.268 0.839) 3.375 3.404 ( 5.772 -4.610 2.211) 7.710 3.433 ( -2.919 0.162 -0.335) 2.943 3.552 ( 1.456 -2.135 0.047) 2.585 3.606 ( 2.305 -3.435 -0.781) 4.210 3.616 ( 0.610 -3.006 -4.418) 5.379 3.680 ( 3.483 -4.819 2.228) 6.350 3.822 ( 2.611 -2.917 -0.850) 4.006 3.845 ( 0.973 -6.125 0.112) 6.203 4.001 ( 7.308 -3.359 -2.540) 8.434 4.044 ( -0.337 7.733 0.732) 7.775 4.111 ( -6.349 -9.576 -1.603) 11.601 4.201 ( -2.707 -3.387 0.731) 4.397 4.236 ( -1.026 -7.702 6.188) 9.933 4.358 ( -0.973 -2.075 6.424) 6.821 4.460 ( -5.180 -4.733 -0.710) 7.052 4.546 ( -2.394 -4.732 4.518) 6.966 4.668 ( 5.738 -10.056 -4.301) 12.351 4.696 ( -4.078 -3.897 1.742) 5.903 4.782 ( 0.097 -4.099 -4.768) 6.288 4.856 ( -2.964 -0.311 -0.716) 3.065 4.975 ( 3.443 -0.396 -6.548) 7.408 5.120 ( -1.274 -1.340 0.763) 2.000 5.154 ( -4.541 -0.367 -4.632) 6.497 5.283 ( -1.699 -3.774 1.039) 4.267 5.316 ( -0.442 1.785 4.397) 4.766 5.346 ( -1.453 1.964 -6.140) 6.608 5.416 ( 0.808 -2.487 5.830) 6.390 5.479 ( 0.724 3.072 1.156) 3.361 5.531 ( -2.920 2.596 -1.690) 4.257 5.623 ( -0.777 -0.705 -0.288) 1.088 5.687 ( 0.398 3.843 6.632) 7.675 5.699 ( 1.324 -1.327 1.771) 2.579 5.885 ( -4.889 -3.250 2.064) 6.223 5.942 ( -6.541 -0.134 -3.320) 7.336 5.956 ( 3.305 -2.396 -1.831) 4.474 6.040 ( 3.735 -3.079 -3.324) 5.872 6.088 ( -4.994 -0.612 1.714) 5.316 6.130 ( -0.703 -1.434 4.275) 4.564 6.263 ( -3.783 -2.708 -4.233) 6.290 6.308 ( 2.210 -4.370 6.886) 8.450 6.397 ( 0.925 1.668 -5.688) 5.999 6.488 ( 3.067 -3.133 -0.484) 4.411 6.546 ( -1.200 1.772 3.350) 3.975 6.619 ( -4.032 0.604 5.020) 6.467 6.761 ( 8.559 -1.212 -0.386) 8.653 6.797 ( 5.229 3.216 3.055) 6.857 6.905 ( 3.045 3.636 3.388) 5.828 6.971 ( -3.165 -3.486 -3.026) 5.597 6.979 ( -1.051 -2.978 -0.116) 3.160 7.016 ( -1.786 0.812 -9.058) 9.268 7.128 ( 2.748 -2.029 -7.127) 7.903 7.214 ( 6.166 -2.035 -1.511) 6.667 7.278 ( 4.538 -4.748 -4.213) 7.803 7.307 ( 1.468 -0.474 -2.468) 2.911 7.375 ( 1.802 -5.428 1.202) 5.844 7.543 ( -3.297 0.986 4.076) 5.335 7.587 ( 2.618 -1.115 8.753) 9.204 7.643 ( 1.960 -0.653 -3.341) 3.928 7.693 ( 1.820 -1.599 -4.605) 5.203 7.782 ( -5.778 1.535 6.046) 8.503 7.864 ( -4.384 0.752 -2.728) 5.218 7.919 ( 0.736 -0.860 9.499) 9.566 7.998 ( -3.151 -7.291 -1.248) 8.040 8.071 ( -0.174 -0.396 -2.468) 2.506 8.282 ( 6.160 -1.258 -0.120) 6.289 8.348 ( -6.587 -0.713 -1.882) 6.887 8.445 ( -3.688 -1.482 -1.788) 4.358 8.551 ( 1.745 2.202 1.368) 3.125 8.586 ( -1.601 -1.473 4.536) 5.031 8.692 ( -3.416 2.161 -1.015) 4.168 8.767 ( 5.476 -1.617 -2.937) 6.421 8.819 ( -1.444 -4.258 -1.856) 4.864 8.884 ( 1.603 -3.441 -3.253) 5.000 8.949 ( -1.102 -0.083 -1.806) 2.118 9.013 ( -1.596 0.385 -1.753) 2.401 9.148 ( 3.044 -0.223 3.575) 4.701 9.193 ( 7.332 3.765 1.983) 8.477 9.290 ( -1.629 1.794 4.268) 4.908 9.395 ( -5.374 5.763 -2.822) 8.370 9.460 ( 0.725 3.721 1.813) 4.202 9.572 ( 1.035 4.190 1.232) 4.488 9.719 ( 1.570 6.992 3.136) 7.823 9.763 ( -4.708 -0.314 2.022) 5.133 9.796 ( -0.247 5.126 -4.353) 6.730 9.919 ( -0.462 0.889 2.590) 2.777 10.066 ( 1.767 3.086 -1.535) 3.873 10.115 ( 3.388 4.001 -6.699) 8.507 10.240 ( -4.689 11.325 -2.010) 12.421 10.288 ( 1.890 9.672 5.690) 11.379 10.484 ( -5.606 9.910 2.544) 11.667 10.594 ( 0.381 15.863 -4.060) 16.379 10.715 ( -2.411 12.770 3.309) 13.411 10.780 ( -0.492 -0.403 1.936) 2.037 10.833 ( -4.776 -2.645 -4.185) 6.879 11.014 ( 3.792 6.937 0.966) 7.965 11.089 ( -2.914 -1.054 2.799) 4.176 11.110 ( 0.985 -2.481 -0.705) 2.760 11.162 ( 0.364 2.321 -1.215) 2.645 11.278 ( 0.831 -4.628 2.146) 5.169 11.401 ( -0.661 -3.951 -4.613) 6.109 11.523 ( 3.339 1.992 -1.332) 4.110 11.528 ( 2.633 -4.183 -3.368) 5.981 11.634 ( 1.253 0.980 0.955) 1.855 11.724 ( -4.007 -5.026 1.591) 6.622 11.831 ( 1.192 -5.066 1.286) 5.361 11.924 ( -4.829 -5.170 2.258) 7.426 12.028 ( -4.232 2.460 -3.970) 6.302 12.270 ( 1.957 -6.850 1.925) 7.379 12.320 ( 0.366 -5.872 2.696) 6.472 12.359 ( 1.338 -5.539 -0.995) 5.784 12.398 ( 1.765 -2.658 -1.438) 3.499 12.512 ( -3.331 -5.990 0.290) 6.860 12.684 ( 5.133 -3.565 0.932) 6.318 13.380 ( -2.672 2.768 1.726) 4.217 13.449 ( 1.278 1.597 -1.253) 2.398 13.594 ( 0.730 3.892 -0.101) 3.962 13.675 ( 0.163 2.008 -3.166) 3.753 13.819 ( -0.766 3.635 -3.683) 5.231 13.850 ( 2.548 0.326 1.903) 3.197 13.944 ( 0.489 1.600 1.925) 2.551 14.002 ( 1.656 -0.093 -0.837) 1.858 14.069 ( -1.904 4.077 1.291) 4.681 14.082 ( -1.532 2.701 0.210) 3.113 14.253 ( -1.075 6.517 2.242) 6.975 14.265 ( -1.148 6.029 -0.241) 6.142 15.185 ( -2.320 -2.096 -0.998) 3.283 15.227 ( -0.376 -2.242 0.505) 2.328 15.253 ( -1.205 -2.475 1.357) 3.069 15.319 ( -0.378 -2.450 -0.837) 2.617 15.570 ( 1.111 -0.811 -1.996) 2.424 15.597 ( 2.590 -1.660 1.622) 3.478 15.771 ( 0.270 -2.130 0.910) 2.332 15.848 ( 0.206 -3.554 -7.148) 7.986 15.980 ( -5.096 2.368 2.258) 6.056 16.153 ( -9.803 -2.296 -3.005) 10.507 16.178 ( 4.760 -2.854 11.347) 12.631 16.494 ( 8.367 -14.343 -2.474) 16.788 18.337 ( -0.765 2.869 -0.374) 2.993 18.378 ( 2.912 4.298 0.549) 5.221 18.508 ( 4.434 -0.079 -0.373) 4.450 18.610 ( 5.502 2.224 -2.460) 6.425 18.649 ( -0.930 -0.705 2.430) 2.696 18.777 ( 0.866 0.458 -2.853) 3.016 18.823 ( -2.159 0.144 -2.032) 2.968 18.866 ( -1.790 2.527 1.842) 3.603 18.971 ( -2.355 -1.419 3.297) 4.293 19.086 ( 0.332 -0.644 -1.136) 1.347 19.268 ( -0.899 2.136 -0.144) 2.322 19.282 ( -0.360 1.593 0.698) 1.776 21.364 ( -2.730 -3.020 -4.656) 6.185 21.426 ( 3.638 -3.785 3.112) 6.103 21.720 ( -1.035 1.796 3.562) 4.121 21.872 ( 3.108 -3.441 -2.855) 5.445 23.317 ( 3.322 0.199 3.384) 4.747 23.335 ( 1.706 1.203 -3.477) 4.055 23.415 ( 1.924 -1.476 -0.600) 2.498 23.424 ( 2.414 -1.556 0.512) 2.917 23.743 ( -4.724 -2.375 1.170) 5.415 23.751 ( -5.321 0.505 -1.132) 5.464 23.819 ( -0.805 -1.111 0.934) 1.660 23.857 ( 0.628 -4.349 -1.042) 4.516 ======================= Grid point 86 (44/70) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -12.063 21.393 1.703) 24.619 1.986 ( -7.337 19.288 6.365) 21.595 2.200 ( 3.773 7.094 -1.121) 8.113 2.371 ( 6.865 -2.684 0.461) 7.385 2.415 ( 0.839 4.270 -7.840) 8.967 2.510 ( 3.285 6.801 -0.846) 7.601 2.546 ( -2.481 2.437 -2.875) 4.512 2.655 ( 0.036 -3.594 1.253) 3.806 2.693 ( 5.131 4.269 -3.881) 7.721 2.769 ( 5.104 0.110 -0.189) 5.109 2.875 ( 2.261 -6.000 3.305) 7.214 2.901 ( 2.827 -5.175 3.228) 6.723 2.930 ( 7.363 5.474 -2.925) 9.630 3.048 ( -2.477 1.066 2.423) 3.625 3.091 ( -1.556 0.985 -0.768) 1.995 3.139 ( -4.242 -3.203 0.510) 5.340 3.178 ( 2.193 2.277 -0.927) 3.295 3.244 ( -3.009 -5.129 2.997) 6.659 3.340 ( 3.904 0.182 -0.431) 3.932 3.436 ( 0.855 -1.786 2.580) 3.252 3.510 ( -1.584 5.799 -1.645) 6.232 3.541 ( 1.227 -2.477 3.021) 4.095 3.625 ( 0.304 -3.821 -0.901) 3.938 3.663 ( 1.854 -6.651 1.819) 7.140 3.791 ( 6.122 -7.191 -0.331) 9.450 3.845 ( -3.389 2.135 -0.226) 4.012 3.891 ( 2.936 -1.597 -1.211) 3.555 3.914 ( 0.350 -2.105 2.660) 3.410 4.064 ( 5.225 -1.901 -5.036) 7.502 4.092 ( -0.359 4.241 -0.048) 4.257 4.180 ( 2.121 -7.075 -3.961) 8.381 4.281 ( -0.254 -6.241 2.983) 6.922 4.414 ( 4.447 -4.434 -1.548) 6.468 4.423 ( -0.571 -5.064 0.030) 5.096 4.510 ( -5.652 -1.523 3.174) 6.659 4.625 ( -6.919 -9.440 -2.966) 12.074 4.665 ( 1.555 -3.482 4.690) 6.045 4.738 ( -0.756 -3.052 -4.022) 5.105 4.834 ( -2.908 2.379 0.260) 3.766 4.972 ( 5.020 -4.506 1.677) 6.951 5.048 ( -2.184 -0.005 -3.267) 3.930 5.078 ( -7.933 1.195 -8.220) 11.486 5.215 ( -3.219 -1.017 3.767) 5.058 5.278 ( -1.950 -6.095 3.512) 7.300 5.338 ( -2.860 -2.480 2.589) 4.586 5.478 ( 2.850 -3.928 0.633) 4.894 5.503 ( -1.260 1.003 -0.343) 1.647 5.529 ( -1.758 -0.350 -0.527) 1.868 5.609 ( -3.740 -3.057 4.795) 6.806 5.658 ( -1.183 -1.350 0.963) 2.037 5.736 ( -6.151 -0.975 1.424) 6.389 5.808 ( -4.609 -1.567 4.839) 6.864 5.848 ( -1.008 1.649 0.438) 1.981 5.948 ( 1.916 -3.946 -3.085) 5.363 6.026 ( 0.848 -9.425 -2.754) 9.855 6.163 ( 2.624 -1.587 1.173) 3.284 6.169 ( 0.540 -0.585 -1.603) 1.790 6.272 ( 3.333 -1.293 -0.173) 3.579 6.312 ( 0.604 2.172 0.788) 2.388 6.348 ( -3.491 -3.318 -7.165) 8.633 6.477 ( 3.276 1.376 -1.076) 3.713 6.575 ( 1.678 -0.874 -3.403) 3.893 6.650 ( 2.248 -4.043 2.729) 5.371 6.801 ( 1.443 -2.673 0.261) 3.049 6.821 ( -1.417 -1.794 -0.557) 2.353 6.890 ( -2.159 -8.049 1.233) 8.424 6.914 ( 3.638 0.750 -2.187) 4.310 6.977 ( -1.139 -0.734 -0.627) 1.493 7.060 ( 7.267 0.473 -0.275) 7.287 7.116 ( 0.849 3.109 0.381) 3.245 7.208 ( 0.206 -2.627 -4.138) 4.906 7.336 ( 2.809 0.208 0.604) 2.881 7.391 ( 1.704 1.950 0.510) 2.640 7.444 ( 4.223 -2.563 1.709) 5.228 7.535 ( -2.572 -0.794 -0.664) 2.773 7.591 ( -1.626 5.236 3.685) 6.606 7.646 ( -0.536 1.412 -0.662) 1.649 7.698 ( 3.689 4.161 -1.011) 5.652 7.787 ( -1.372 -3.612 1.684) 4.215 7.818 ( -3.913 -3.537 5.235) 7.432 7.959 ( -1.313 -2.426 1.763) 3.274 8.013 ( 1.460 2.331 3.365) 4.346 8.123 ( 3.349 -4.903 -1.996) 6.264 8.281 ( -2.813 -2.600 -0.053) 3.831 8.308 ( -2.904 -2.358 -1.227) 3.937 8.383 ( 3.826 6.182 3.624) 8.124 8.476 ( -7.422 3.117 -3.588) 8.814 8.564 ( -2.271 -0.235 -3.777) 4.413 8.588 ( -1.380 0.562 -4.435) 4.678 8.718 ( -2.911 3.929 -1.569) 5.136 8.864 ( 6.176 -3.598 -0.988) 7.216 8.893 ( 1.625 -5.178 -1.075) 5.532 8.959 ( 3.961 0.995 0.563) 4.123 9.106 ( 5.464 -1.872 5.628) 8.064 9.182 ( -2.653 -6.917 1.640) 7.587 9.243 ( -0.477 4.017 -4.532) 6.075 9.308 ( -3.549 3.121 1.670) 5.012 9.368 ( 1.425 1.578 3.878) 4.423 9.541 ( 0.735 11.513 1.151) 11.594 9.553 ( -5.869 8.623 -3.181) 10.904 9.638 ( -1.254 9.718 4.835) 10.926 9.773 ( -1.009 5.191 1.079) 5.397 9.815 ( 4.695 4.765 -0.876) 6.746 9.935 ( -0.615 0.186 -0.314) 0.715 10.038 ( 0.896 6.053 -1.571) 6.318 10.122 ( 2.045 0.090 -3.046) 3.670 10.164 ( -0.780 5.657 -0.266) 5.717 10.341 ( -4.824 9.360 7.404) 12.873 10.437 ( -2.039 1.526 1.464) 2.938 10.589 ( 2.226 16.232 -2.257) 16.539 10.680 ( -6.990 6.909 0.617) 9.847 10.708 ( -1.666 5.934 -3.024) 6.865 10.751 ( 1.396 -3.173 -4.452) 5.643 11.037 ( 2.560 0.771 -2.430) 3.613 11.094 ( -7.773 -4.038 5.737) 10.471 11.119 ( 1.435 1.875 0.457) 2.405 11.198 ( 4.382 1.834 -3.164) 5.707 11.270 ( 0.680 -4.892 0.665) 4.984 11.348 ( -1.303 5.252 -0.587) 5.443 11.537 ( 2.094 -1.107 -2.112) 3.174 11.583 ( 0.444 -4.341 3.165) 5.391 11.636 ( -2.532 -8.721 0.099) 9.082 11.714 ( 2.126 -2.839 0.045) 3.547 11.852 ( 0.557 -5.618 -0.574) 5.675 11.885 ( -0.576 -2.760 -0.394) 2.847 11.934 ( -3.572 7.959 1.649) 8.878 12.253 ( -3.089 -3.693 -0.119) 4.816 12.336 ( -2.865 -3.250 -0.736) 4.395 12.386 ( 3.677 -7.644 -2.326) 8.795 12.442 ( 3.554 -4.481 2.988) 6.453 12.478 ( -0.506 -9.890 -1.011) 9.954 12.748 ( 2.653 -5.281 -2.294) 6.339 13.365 ( -3.492 3.439 4.890) 6.924 13.486 ( 2.082 1.657 1.887) 3.262 13.614 ( -1.353 1.701 0.263) 2.189 13.635 ( 3.264 2.542 -2.548) 4.859 13.814 ( 1.345 2.965 -0.340) 3.274 13.883 ( 0.588 2.297 -1.060) 2.597 13.978 ( 1.008 1.074 2.053) 2.527 14.020 ( 1.448 0.767 -0.646) 1.762 14.040 ( -2.082 3.024 -1.169) 3.853 14.068 ( -2.356 3.616 2.826) 5.158 14.210 ( -1.315 5.612 -3.331) 6.658 14.236 ( -1.410 4.783 -1.504) 5.209 15.140 ( -1.601 -0.732 -0.300) 1.786 15.222 ( -0.525 -0.271 0.553) 0.809 15.244 ( -0.925 -1.449 0.286) 1.743 15.284 ( -1.605 0.200 -1.086) 1.948 15.603 ( 4.701 0.205 -0.696) 4.757 15.660 ( 1.685 -1.877 1.908) 3.163 15.741 ( -2.613 2.306 -2.518) 4.299 15.771 ( 0.002 -0.666 -1.099) 1.285 15.932 ( -6.591 2.895 1.512) 7.355 16.010 ( -0.117 -3.947 -3.808) 5.486 16.387 ( 3.251 -12.354 8.211) 15.186 16.559 ( 1.756 -21.372 -2.000) 21.537 18.378 ( 5.727 5.190 0.470) 7.743 18.457 ( 5.653 5.690 -0.447) 8.033 18.587 ( 4.512 0.414 -0.141) 4.533 18.620 ( -1.667 3.060 0.905) 3.600 18.686 ( -0.578 3.024 -0.143) 3.082 18.725 ( -4.207 3.023 -0.888) 5.256 18.791 ( -0.291 -1.170 0.141) 1.214 18.819 ( -1.349 1.143 -0.877) 1.974 18.985 ( -0.110 -4.126 1.627) 4.436 19.060 ( -0.778 -2.754 -1.957) 3.467 19.242 ( -0.510 1.508 -0.126) 1.597 19.297 ( -0.621 1.319 1.128) 1.843 21.292 ( -0.987 -0.489 -0.664) 1.286 21.504 ( 0.709 -4.099 2.543) 4.876 21.764 ( 2.870 1.454 0.947) 3.354 21.864 ( 0.404 -2.855 -3.449) 4.496 23.351 ( 3.791 2.546 -1.966) 4.972 23.412 ( 3.262 1.025 2.056) 3.990 23.458 ( 4.030 -1.340 -0.277) 4.256 23.482 ( 3.167 -1.165 0.434) 3.402 23.633 ( -6.406 0.275 -0.992) 6.488 23.666 ( -5.490 -2.168 0.826) 5.959 23.794 ( -3.041 -2.452 1.200) 4.087 23.848 ( -0.166 -5.601 -0.896) 5.674 ======================= Grid point 87 (45/70) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -4.317 10.626 5.934) 12.914 2.324 ( 4.022 5.838 1.431) 7.233 2.346 ( 0.200 -2.493 2.966) 3.880 2.423 ( 5.637 0.199 -2.713) 6.259 2.467 ( 0.082 9.177 -1.760) 9.345 2.496 ( -5.647 4.633 -1.005) 7.373 2.551 ( 1.817 2.752 -4.161) 5.309 2.647 ( 1.741 -4.510 -6.145) 7.819 2.694 ( -2.379 -2.079 0.855) 3.273 2.797 ( -0.281 -4.026 -2.360) 4.675 2.836 ( 3.701 -5.103 4.155) 7.551 2.858 ( -1.120 -1.233 4.530) 4.826 2.961 ( -1.830 2.208 6.206) 6.837 3.088 ( -6.013 -1.820 -0.796) 6.333 3.132 ( -2.129 4.319 0.761) 4.875 3.134 ( 5.938 -0.037 -2.838) 6.581 3.206 ( 2.573 -2.442 -2.735) 4.479 3.250 ( 1.267 2.837 0.243) 3.117 3.331 ( 2.896 2.697 -1.128) 4.115 3.409 ( -3.249 -2.358 2.603) 4.784 3.423 ( -1.075 -2.979 -0.910) 3.295 3.542 ( 1.495 -6.341 0.203) 6.518 3.580 ( 0.689 2.229 4.293) 4.886 3.684 ( 5.641 -5.876 2.021) 8.393 3.780 ( -6.750 1.919 3.164) 7.698 3.791 ( -5.356 1.159 2.065) 5.856 3.890 ( 1.102 2.908 1.285) 3.365 4.021 ( 5.976 -4.738 0.112) 7.627 4.039 ( -1.432 -4.432 -1.948) 5.048 4.078 ( 3.789 -3.509 -4.391) 6.779 4.116 ( 3.241 -1.826 -2.792) 4.651 4.130 ( 7.584 1.885 -7.031) 10.512 4.243 ( -5.881 -4.506 1.520) 7.563 4.304 ( -7.420 -4.243 3.824) 9.364 4.455 ( -6.104 -0.357 -2.616) 6.650 4.531 ( 0.559 -6.143 -4.372) 7.561 4.727 ( 6.849 6.807 9.158) 13.308 4.805 ( -6.702 6.030 1.355) 9.117 4.831 ( -6.907 3.188 -1.309) 7.719 4.938 ( -2.125 -0.564 -2.468) 3.305 4.964 ( 6.100 -7.973 -0.316) 10.044 5.021 ( 1.914 1.280 0.943) 2.488 5.180 ( 0.295 1.339 0.771) 1.573 5.250 ( 5.490 -3.423 -0.551) 6.493 5.330 ( -0.038 4.553 -5.663) 7.267 5.369 ( 1.529 0.760 1.705) 2.412 5.408 ( -4.129 0.516 2.998) 5.129 5.470 ( -3.338 -4.068 2.427) 5.795 5.524 ( -0.311 0.003 -0.053) 0.316 5.628 ( -1.432 -6.598 0.364) 6.761 5.703 ( -1.017 -0.198 0.775) 1.294 5.717 ( 2.109 1.967 -0.565) 2.939 5.828 ( -1.278 -3.452 -2.551) 4.478 5.888 ( 2.703 -3.580 -2.137) 4.968 5.963 ( -4.651 5.489 -6.691) 9.825 6.045 ( 0.195 -0.012 -5.200) 5.204 6.063 ( -1.895 -1.883 1.470) 3.049 6.127 ( -0.846 -6.299 -1.174) 6.463 6.398 ( 6.378 2.702 0.391) 6.938 6.447 ( 1.993 -1.712 -5.557) 6.147 6.490 ( 0.259 1.469 3.760) 4.045 6.520 ( 0.850 -2.520 -2.337) 3.540 6.728 ( 0.571 1.399 -1.239) 1.954 6.736 ( -0.133 0.618 -2.008) 2.105 6.854 ( 4.909 -0.560 4.285) 6.540 6.879 ( 5.502 -2.161 8.952) 10.727 6.940 ( -1.654 1.912 2.098) 3.285 6.986 ( -3.126 -1.703 6.517) 7.426 7.096 ( 1.383 -0.670 1.589) 2.211 7.144 ( 4.675 -3.793 1.384) 6.177 7.258 ( 0.211 3.133 -1.478) 3.471 7.307 ( -2.612 -1.336 -2.646) 3.951 7.408 ( -3.939 3.019 0.942) 5.051 7.458 ( -1.219 0.505 -1.253) 1.820 7.536 ( -2.043 1.574 0.548) 2.637 7.583 ( -3.401 -3.517 -3.473) 5.999 7.615 ( -4.516 -2.851 -2.767) 6.015 7.647 ( -0.357 -6.000 0.465) 6.029 7.750 ( -0.375 1.138 -3.024) 3.252 7.786 ( 1.065 -3.161 -2.984) 4.475 7.988 ( 5.024 4.553 3.026) 7.425 8.042 ( 1.172 0.212 0.678) 1.370 8.223 ( 1.756 4.324 3.477) 5.820 8.245 ( -0.958 2.749 3.453) 4.517 8.314 ( -7.001 1.110 2.847) 7.639 8.364 ( -1.393 -1.701 -1.811) 2.849 8.456 ( 0.395 4.161 -2.807) 5.035 8.539 ( 5.651 -2.637 -4.156) 7.493 8.689 ( 4.080 3.601 4.020) 6.765 8.750 ( -0.871 2.384 2.717) 3.718 8.788 ( 3.323 -6.001 0.108) 6.860 8.841 ( -0.577 -5.616 0.805) 5.703 9.025 ( -3.695 -0.117 1.310) 3.922 9.088 ( -1.298 -3.604 1.510) 4.118 9.179 ( -0.847 4.753 1.097) 4.951 9.244 ( 1.170 -1.834 0.680) 2.279 9.317 ( 1.435 7.899 0.031) 8.028 9.465 ( 3.311 -3.606 5.960) 7.713 9.585 ( -5.185 8.004 -11.328) 14.808 9.634 ( -3.765 3.508 -7.473) 9.073 9.796 ( -3.800 1.639 -1.060) 4.271 9.837 ( -2.307 -3.028 -1.141) 3.974 9.897 ( 3.893 2.732 0.707) 4.808 9.944 ( -2.083 -0.985 -1.844) 2.951 10.150 ( 7.836 3.030 3.927) 9.274 10.196 ( 4.562 1.152 4.752) 6.687 10.262 ( -0.396 4.308 -0.921) 4.423 10.339 ( -6.177 -1.269 0.200) 6.310 10.440 ( 0.473 0.626 7.273) 7.315 10.496 ( 2.310 -5.619 2.744) 6.666 10.659 ( -1.931 4.657 -4.064) 6.476 10.781 ( -2.726 -5.650 -4.034) 7.458 10.971 ( 0.142 6.930 -2.586) 7.398 11.043 ( -0.298 11.046 2.124) 11.253 11.073 ( 0.454 -2.081 -6.087) 6.449 11.155 ( 5.380 2.173 -2.031) 6.147 11.224 ( -0.425 3.005 2.157) 3.723 11.323 ( 0.178 -0.641 0.869) 1.094 11.410 ( -2.496 -5.100 2.542) 6.221 11.427 ( 2.353 -0.165 1.705) 2.911 11.500 ( -2.343 -0.450 1.397) 2.765 11.553 ( 1.620 -3.256 0.559) 3.680 11.712 ( -0.606 -0.035 1.249) 1.389 11.761 ( -0.119 -3.993 -1.154) 4.158 11.939 ( 0.489 8.170 0.856) 8.230 12.067 ( -0.134 3.399 -3.913) 5.185 12.189 ( -1.724 -2.069 2.658) 3.784 12.228 ( 0.140 -8.401 -1.070) 8.470 12.260 ( -0.784 0.219 -1.650) 1.840 12.308 ( 1.959 -2.948 -3.680) 5.106 12.460 ( 0.385 0.881 2.936) 3.089 12.567 ( -0.356 -8.169 -2.420) 8.527 13.460 ( -1.981 3.792 5.544) 7.003 13.523 ( -1.271 -2.075 3.273) 4.078 13.644 ( 1.940 1.099 -0.304) 2.250 13.666 ( 2.427 -1.047 -1.684) 3.134 13.877 ( -1.077 2.172 1.090) 2.658 13.903 ( -0.197 -0.099 0.196) 0.295 13.990 ( -0.390 0.872 -1.415) 1.707 14.014 ( 0.373 -0.993 -2.017) 2.279 14.093 ( -0.646 2.350 2.158) 3.255 14.111 ( -1.488 0.745 2.534) 3.032 14.237 ( 0.847 2.303 -3.731) 4.465 14.252 ( 0.965 0.809 -3.222) 3.459 15.159 ( 0.187 1.588 1.924) 2.501 15.196 ( -0.283 -1.912 1.596) 2.506 15.256 ( 0.109 1.745 -1.497) 2.302 15.279 ( 0.480 -0.286 -1.076) 1.213 15.678 ( 0.168 0.734 2.334) 2.452 15.700 ( 1.070 -0.968 3.284) 3.587 15.790 ( -0.745 5.290 -0.524) 5.368 15.812 ( 3.757 1.842 0.386) 4.202 15.940 ( 0.347 -0.484 -1.973) 2.061 15.953 ( -0.053 7.400 -2.087) 7.689 16.087 ( -8.181 -12.308 -0.437) 14.786 16.181 ( 2.916 -14.265 -2.771) 14.821 18.582 ( -2.739 4.715 1.323) 5.611 18.617 ( -2.657 0.822 1.000) 2.955 18.639 ( 3.081 1.484 -0.492) 3.455 18.656 ( 6.029 0.171 -0.966) 6.109 18.704 ( -5.781 3.921 0.725) 7.023 18.733 ( -0.241 3.811 -0.390) 3.838 18.811 ( 4.325 -0.798 -0.914) 4.492 18.815 ( 1.469 -1.838 -0.852) 2.502 18.896 ( -2.646 -1.808 1.341) 3.474 18.935 ( -0.523 -4.485 -0.660) 4.563 19.280 ( 0.579 1.222 0.268) 1.378 19.294 ( -0.695 -0.120 -0.436) 0.829 21.351 ( 0.802 2.182 3.359) 4.085 21.416 ( -1.168 -4.023 0.941) 4.293 21.787 ( -1.253 0.311 -1.842) 2.250 21.808 ( 1.744 -1.794 -1.767) 3.063 23.459 ( 0.223 2.158 0.208) 2.179 23.477 ( 0.004 1.544 -0.713) 1.701 23.513 ( -0.880 -1.532 0.343) 1.800 23.522 ( 1.103 -2.512 -0.073) 2.744 23.571 ( -1.836 4.721 0.376) 5.079 23.580 ( 1.535 3.958 -0.044) 4.246 23.680 ( -0.738 -5.015 0.782) 5.129 23.705 ( 0.629 -7.050 -0.340) 7.086 ======================= Grid point 88 (46/70) ======================= q-point: ( 0.17 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -2.445 7.080 1.536) 7.646 2.293 ( -4.442 -4.905 -1.491) 6.783 2.398 ( -1.752 5.086 0.155) 5.381 2.413 ( 0.781 12.278 2.383) 12.532 2.480 ( 1.887 -1.290 1.282) 2.621 2.532 ( 4.208 3.633 -2.310) 6.020 2.560 ( 5.686 8.830 -1.837) 10.662 2.574 ( -0.956 -3.735 -4.682) 6.065 2.699 ( 0.684 -4.430 3.048) 5.420 2.768 ( -1.198 -4.270 -2.306) 4.999 2.837 ( -2.877 2.990 -1.682) 4.477 2.915 ( -5.926 0.896 3.708) 7.048 2.953 ( -2.853 -5.854 1.461) 6.674 3.022 ( -0.029 -6.428 3.024) 7.103 3.109 ( -2.886 1.903 -2.081) 4.035 3.143 ( -2.796 2.436 1.513) 4.005 3.165 ( -0.720 -3.278 -2.392) 4.121 3.250 ( -1.566 4.732 -0.151) 4.986 3.317 ( -3.320 -4.400 1.176) 5.636 3.396 ( 2.354 -0.438 0.209) 2.404 3.409 ( -0.731 0.874 -1.500) 1.883 3.588 ( 1.343 -6.539 2.503) 7.130 3.643 ( -4.544 3.254 4.263) 7.030 3.666 ( -2.582 7.392 -2.068) 8.099 3.717 ( -4.803 -1.648 2.598) 5.704 3.796 ( 3.322 -3.790 -5.394) 7.382 3.839 ( -4.164 -2.072 1.326) 4.837 3.912 ( -6.618 -5.827 -1.502) 8.945 3.971 ( -3.911 3.904 -1.073) 5.629 4.079 ( 0.279 -2.862 -2.026) 3.518 4.161 ( 4.026 1.319 -5.282) 6.772 4.213 ( 2.994 -1.472 2.719) 4.304 4.237 ( -2.019 -8.101 1.575) 8.496 4.288 ( -0.753 -5.729 -2.998) 6.509 4.391 ( 1.109 0.406 3.735) 3.917 4.460 ( -5.140 -5.756 -1.535) 7.868 4.713 ( -2.192 1.052 5.985) 6.459 4.742 ( 0.111 1.411 2.301) 2.701 4.859 ( 2.261 3.318 0.031) 4.015 4.964 ( 0.887 -3.761 -0.444) 3.890 5.083 ( 8.231 2.036 3.008) 8.997 5.119 ( -0.538 1.793 -0.048) 1.872 5.171 ( 7.618 1.305 -3.945) 8.678 5.231 ( 0.145 -2.039 -2.992) 3.623 5.379 ( 2.450 1.392 5.663) 6.326 5.431 ( 6.233 -0.839 1.719) 6.520 5.447 ( -0.146 3.215 -0.433) 3.247 5.540 ( 3.344 -3.753 -2.669) 5.692 5.551 ( 4.620 0.816 1.024) 4.802 5.616 ( 3.901 -0.797 0.009) 3.982 5.717 ( 1.784 -0.982 0.880) 2.218 5.797 ( 5.317 -0.798 -3.737) 6.548 5.799 ( 5.487 -2.376 -3.487) 6.922 5.833 ( 2.959 -3.025 0.329) 4.244 5.926 ( -0.843 -0.833 1.367) 1.810 5.999 ( -3.131 -4.189 3.768) 6.446 6.115 ( 4.252 3.188 -0.101) 5.316 6.174 ( 2.279 -2.031 2.832) 4.165 6.364 ( -1.126 2.364 -5.207) 5.828 6.431 ( -0.314 -2.842 -6.560) 7.156 6.466 ( -0.068 1.350 -1.755) 2.215 6.537 ( 0.155 -2.194 1.296) 2.553 6.665 ( -6.353 2.395 2.800) 7.344 6.706 ( -3.956 -1.467 0.840) 4.302 6.866 ( -3.147 4.245 -5.145) 7.375 6.899 ( -5.324 1.379 -3.827) 6.700 7.014 ( 2.336 -0.102 -0.896) 2.504 7.034 ( -2.101 -1.890 1.858) 3.383 7.108 ( -0.436 -0.417 -0.105) 0.612 7.153 ( -3.035 -4.516 -4.261) 6.911 7.227 ( -0.032 4.130 1.837) 4.520 7.298 ( 0.338 -3.339 6.181) 7.033 7.401 ( 0.441 -0.677 0.910) 1.217 7.450 ( -0.020 -4.641 -0.587) 4.678 7.474 ( -0.594 2.577 1.273) 2.935 7.534 ( -0.611 2.647 1.098) 2.930 7.566 ( 0.587 -3.746 1.734) 4.169 7.642 ( -6.932 -3.040 3.433) 8.311 7.705 ( 2.995 0.092 -0.556) 3.048 7.771 ( -0.413 -4.900 0.112) 4.919 8.000 ( -2.575 4.654 -2.813) 6.017 8.081 ( -0.216 -1.220 -0.448) 1.318 8.226 ( -4.720 0.897 4.480) 6.569 8.236 ( -4.190 1.470 -1.747) 4.772 8.314 ( 4.312 3.046 5.959) 7.961 8.374 ( 2.978 -1.099 1.574) 3.543 8.440 ( 1.291 5.396 -4.965) 7.446 8.545 ( 0.980 -3.925 -6.549) 7.698 8.717 ( -5.921 1.962 -2.976) 6.911 8.759 ( -0.316 -2.975 -0.626) 3.056 8.806 ( 3.795 1.934 4.368) 6.101 8.889 ( 1.936 -3.682 -1.060) 4.293 9.018 ( -0.884 2.070 4.739) 5.246 9.088 ( 0.731 -2.850 0.774) 3.042 9.205 ( -0.111 0.176 4.177) 4.183 9.244 ( 0.293 -0.024 -2.290) 2.309 9.342 ( -3.142 9.634 -6.548) 12.065 9.390 ( 0.248 4.549 6.616) 8.032 9.521 ( -1.857 0.211 -2.842) 3.401 9.594 ( 2.351 -4.390 -0.309) 4.990 9.737 ( -4.010 2.078 2.345) 5.089 9.783 ( -1.811 -1.597 0.215) 2.424 9.883 ( -5.171 -1.915 1.426) 5.696 9.895 ( -1.850 -0.815 -1.118) 2.310 10.219 ( 1.773 5.849 -3.796) 7.194 10.255 ( -0.843 2.501 -0.317) 2.658 10.308 ( 6.233 4.183 -1.975) 7.762 10.357 ( 4.280 -1.499 2.503) 5.180 10.535 ( 3.651 7.041 -0.001) 7.931 10.637 ( 7.735 -0.976 2.826) 8.293 10.678 ( 5.173 1.734 0.723) 5.504 10.748 ( 5.053 -5.204 1.052) 7.329 10.936 ( -1.862 4.866 -1.060) 5.317 10.969 ( -2.890 1.416 -2.198) 3.897 11.099 ( 2.340 6.811 -1.347) 7.327 11.186 ( 2.236 5.646 -4.855) 7.775 11.243 ( -0.280 -4.065 3.044) 5.086 11.262 ( -4.593 -1.981 -1.503) 5.223 11.393 ( -2.237 -1.396 0.515) 2.687 11.468 ( -2.650 -3.054 0.441) 4.068 11.502 ( 1.207 0.778 3.767) 4.031 11.567 ( -0.074 -1.466 -0.931) 1.738 11.729 ( 0.780 -2.254 1.382) 2.756 11.748 ( 0.379 -2.629 -0.624) 2.729 11.928 ( -2.171 7.533 -0.182) 7.842 12.075 ( 4.044 0.209 -1.911) 4.478 12.154 ( -3.275 -3.503 0.672) 4.843 12.239 ( 0.716 0.650 1.242) 1.574 12.248 ( 1.171 -3.486 -0.107) 3.679 12.311 ( 2.551 -5.661 -2.976) 6.886 12.474 ( -1.935 1.025 0.586) 2.267 12.550 ( 0.971 -5.302 -0.605) 5.424 13.484 ( -2.103 2.449 4.356) 5.421 13.520 ( -2.490 -1.165 2.185) 3.512 13.684 ( 2.680 0.028 -1.028) 2.871 13.687 ( 2.769 -0.260 -2.908) 4.024 13.837 ( -2.582 3.620 -0.673) 4.497 13.893 ( -2.254 -1.772 1.867) 3.422 13.978 ( 1.011 2.153 -0.932) 2.555 14.015 ( 0.703 -1.504 -0.207) 1.673 14.124 ( 0.613 1.711 3.935) 4.335 14.131 ( -0.176 1.233 3.746) 3.948 14.218 ( 2.101 2.999 -4.590) 5.871 14.242 ( 2.136 0.590 -4.139) 4.695 15.181 ( -0.472 1.009 1.404) 1.792 15.203 ( -0.145 -0.527 0.581) 0.797 15.234 ( -0.990 0.852 -0.326) 1.346 15.264 ( -0.306 -1.433 -1.923) 2.417 15.640 ( -5.463 1.844 -0.157) 5.768 15.688 ( -5.195 -1.850 1.693) 5.769 15.739 ( -2.254 3.404 -2.199) 4.637 15.844 ( -2.635 -3.673 -3.961) 6.010 15.953 ( 4.550 3.937 0.493) 6.037 16.003 ( 6.107 2.572 1.220) 6.738 16.052 ( 4.047 -2.482 3.368) 5.821 16.248 ( 6.002 -15.048 -0.242) 16.203 18.490 ( -6.454 4.333 1.258) 7.875 18.528 ( -6.024 2.355 -0.883) 6.528 18.600 ( -6.850 1.296 1.143) 7.064 18.648 ( -3.840 -1.494 0.905) 4.218 18.734 ( 3.273 -0.086 -1.463) 3.586 18.761 ( 2.799 -0.873 -2.689) 3.978 18.835 ( 1.923 0.906 -0.223) 2.138 18.856 ( 2.466 6.536 0.031) 6.985 18.893 ( 0.659 -3.004 3.441) 4.615 18.964 ( 3.489 -4.326 -1.821) 5.848 19.278 ( -0.399 1.486 -0.587) 1.647 19.302 ( 1.251 -0.443 0.433) 1.396 21.386 ( -1.877 -0.168 -0.177) 1.893 21.405 ( -0.038 -1.913 2.976) 3.539 21.741 ( -1.824 2.192 -0.528) 2.900 21.801 ( -0.126 -3.713 -1.968) 4.204 23.381 ( -5.885 2.731 -0.516) 6.508 23.430 ( -4.827 -1.537 -0.052) 5.066 23.463 ( -3.480 -0.023 0.530) 3.520 23.471 ( -3.481 -0.134 0.040) 3.484 23.643 ( 5.735 3.300 0.486) 6.634 23.670 ( 5.913 1.011 -0.372) 6.010 23.720 ( 3.322 -3.582 -0.093) 4.886 23.744 ( 3.402 -5.515 0.182) 6.483 ======================= Grid point 89 (47/70) ======================= q-point: ( 0.33 0.44 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 0.034 1.507 -1.965) 2.477 2.205 ( -1.219 -3.838 -4.224) 5.836 2.376 ( -0.677 5.667 1.395) 5.875 2.461 ( -1.380 0.790 -0.045) 1.591 2.514 ( 4.014 10.785 3.396) 11.998 2.566 ( 3.771 2.658 -5.959) 7.536 2.572 ( 1.023 4.086 1.165) 4.370 2.609 ( -2.018 -0.133 4.438) 4.878 2.694 ( -1.888 -6.253 -4.532) 7.950 2.743 ( 0.546 4.153 0.512) 4.220 2.786 ( 1.829 -1.362 -0.272) 2.296 2.860 ( -3.158 -1.333 3.099) 4.621 2.928 ( -1.211 1.152 -0.912) 1.904 2.950 ( -3.554 2.913 -2.638) 5.298 3.041 ( -1.793 -5.036 -1.012) 5.440 3.126 ( -4.317 -10.990 3.076) 12.202 3.158 ( -3.237 3.142 3.242) 5.556 3.198 ( -3.503 2.512 -0.808) 4.386 3.250 ( -5.585 -3.531 1.476) 6.770 3.382 ( -0.486 -6.421 -1.375) 6.585 3.470 ( -1.135 6.683 -1.494) 6.941 3.526 ( 3.297 3.732 0.135) 4.981 3.573 ( -4.220 -0.007 -0.945) 4.325 3.657 ( -3.636 -1.578 -5.850) 7.067 3.661 ( -2.628 -3.330 1.989) 4.685 3.699 ( -0.427 -3.661 -0.582) 3.731 3.802 ( -1.310 -0.613 -4.883) 5.093 3.872 ( 4.912 -0.694 -4.668) 6.812 3.912 ( -6.098 2.091 4.825) 8.052 4.092 ( -2.534 -7.275 2.819) 8.204 4.153 ( -2.466 4.407 -0.011) 5.050 4.193 ( 2.740 -1.160 -0.664) 3.049 4.253 ( -0.752 -2.976 3.646) 4.766 4.275 ( 1.400 -8.599 0.325) 8.719 4.421 ( -2.681 -1.266 9.067) 9.539 4.473 ( -0.941 -6.276 4.897) 8.016 4.779 ( 0.899 0.899 2.749) 3.029 4.837 ( 3.687 -2.509 1.928) 4.859 4.922 ( 2.788 -0.581 -8.639) 9.096 4.954 ( 4.921 -1.861 -1.867) 5.583 5.061 ( 5.605 6.755 -5.739) 10.487 5.186 ( 2.151 -0.875 -4.499) 5.064 5.235 ( 5.244 7.099 3.515) 9.500 5.315 ( 3.159 -4.140 3.403) 6.221 5.391 ( -2.962 2.112 -1.656) 3.996 5.453 ( -1.160 1.173 4.133) 4.450 5.508 ( 0.849 -4.691 -0.563) 4.800 5.550 ( -3.299 -2.687 0.428) 4.276 5.573 ( 2.788 0.856 -0.483) 2.956 5.688 ( -1.384 -7.883 -1.162) 8.087 5.800 ( 3.287 2.609 -1.603) 4.493 5.825 ( 3.994 1.207 -3.177) 5.244 5.899 ( 1.512 -0.547 7.169) 7.347 5.915 ( -3.350 -2.590 4.794) 6.397 6.027 ( 10.877 3.918 0.330) 11.566 6.075 ( 13.753 -0.730 3.171) 14.133 6.191 ( 5.391 3.191 -3.744) 7.298 6.231 ( -0.154 1.516 1.322) 2.017 6.305 ( 1.850 3.484 -3.306) 5.147 6.356 ( 3.998 -0.918 -6.239) 7.467 6.483 ( -0.787 -1.424 3.738) 4.076 6.538 ( -4.063 -4.190 3.900) 7.020 6.624 ( -4.970 2.085 7.524) 9.255 6.658 ( -5.266 -0.002 4.763) 7.101 6.715 ( -4.145 0.227 -3.292) 5.298 6.737 ( -6.266 0.078 -4.801) 7.894 6.848 ( -4.401 3.135 -5.492) 7.704 6.972 ( -0.185 -7.322 -8.380) 11.130 7.119 ( 4.447 1.348 -6.340) 7.860 7.153 ( 3.137 -2.063 -1.223) 3.949 7.245 ( -6.037 2.843 -0.484) 6.690 7.312 ( -2.688 -2.653 4.269) 5.700 7.354 ( -3.240 0.140 -5.587) 6.460 7.376 ( -2.870 -0.091 -3.055) 4.193 7.497 ( 1.256 1.196 2.307) 2.886 7.554 ( -2.445 -0.205 4.122) 4.797 7.625 ( 1.485 0.060 5.757) 5.946 7.647 ( 2.199 -2.920 2.515) 4.437 7.747 ( -3.176 -0.729 0.849) 3.367 7.815 ( 1.395 -4.491 3.634) 5.943 7.916 ( -7.325 1.072 1.009) 7.472 7.981 ( -5.688 -5.150 -0.516) 7.690 8.189 ( 6.490 4.003 -1.820) 7.840 8.267 ( 3.196 -2.524 2.373) 4.714 8.390 ( 0.210 3.409 -2.109) 4.014 8.423 ( 1.010 0.728 -3.126) 3.365 8.488 ( -4.149 0.284 0.247) 4.166 8.520 ( 3.594 -2.741 4.025) 6.052 8.572 ( -2.877 2.964 -0.953) 4.239 8.680 ( -2.568 -5.267 -1.445) 6.035 8.864 ( 1.571 1.153 -3.573) 4.070 8.908 ( 4.961 -1.827 -2.015) 5.658 8.981 ( -5.818 7.082 -0.901) 9.209 9.088 ( -2.318 -3.176 -0.164) 3.935 9.238 ( 4.350 0.425 -6.215) 7.598 9.242 ( 2.202 -0.271 -5.486) 5.918 9.370 ( 3.466 4.217 6.868) 8.772 9.419 ( -0.883 -0.557 -5.513) 5.611 9.540 ( 1.208 -0.576 13.192) 13.260 9.585 ( -2.646 -2.858 1.820) 4.298 9.684 ( -3.675 6.069 1.248) 7.204 9.768 ( -5.683 -1.505 3.935) 7.074 9.828 ( -3.492 -0.481 3.160) 4.734 9.860 ( -2.200 -2.032 1.882) 3.537 10.198 ( 3.293 7.638 -7.384) 11.122 10.272 ( 3.105 2.591 -1.593) 4.346 10.344 ( 2.135 3.848 -3.088) 5.376 10.424 ( 1.839 -1.897 1.893) 3.250 10.645 ( 6.968 6.857 2.781) 10.164 10.746 ( 1.846 4.254 -0.588) 4.674 10.774 ( 7.124 1.803 -0.703) 7.382 10.844 ( -2.641 -0.403 0.681) 2.757 10.936 ( 5.538 2.005 2.048) 6.236 10.971 ( 2.018 2.620 2.787) 4.324 11.098 ( -1.364 6.662 -0.527) 6.820 11.143 ( 1.262 3.120 -2.843) 4.406 11.185 ( -2.826 2.961 -1.012) 4.216 11.269 ( 0.406 -5.738 -1.131) 5.862 11.344 ( -2.886 -3.953 -0.203) 4.899 11.409 ( -1.389 -6.493 -4.214) 7.864 11.514 ( -1.848 -2.085 -0.815) 2.903 11.549 ( -0.694 -2.957 -0.275) 3.050 11.761 ( 0.205 -1.604 2.478) 2.959 11.775 ( 1.222 -0.797 1.470) 2.071 11.907 ( 0.761 6.441 -0.186) 6.488 12.044 ( -3.676 -7.649 -0.925) 8.536 12.174 ( 1.515 5.251 1.030) 5.561 12.254 ( 0.753 -2.816 0.905) 3.052 12.299 ( 2.804 -0.209 1.230) 3.069 12.335 ( 2.163 -5.333 -1.128) 5.864 12.439 ( -0.717 4.250 -0.204) 4.315 12.555 ( -1.432 -5.693 0.875) 5.936 13.488 ( -1.436 0.696 1.444) 2.152 13.495 ( -1.927 -0.147 0.333) 1.961 13.686 ( 1.787 0.646 -4.143) 4.558 13.696 ( 2.133 -0.193 -3.414) 4.030 13.807 ( -1.292 4.812 1.841) 5.312 13.885 ( -1.860 -2.721 2.823) 4.339 13.980 ( 0.602 1.308 -1.686) 2.217 14.004 ( -0.747 -1.165 -1.826) 2.291 14.172 ( 0.473 2.903 -1.222) 3.185 14.197 ( 1.128 0.743 0.693) 1.518 14.225 ( 1.368 1.913 1.139) 2.613 14.230 ( 2.032 1.652 3.687) 4.523 15.174 ( 0.179 0.898 -0.801) 1.217 15.211 ( -0.857 -2.535 0.150) 2.681 15.220 ( -0.131 0.207 0.673) 0.716 15.235 ( -0.917 -1.363 -0.349) 1.679 15.552 ( -3.051 1.306 -0.605) 3.373 15.601 ( -3.671 -3.342 -0.993) 5.063 15.700 ( -0.933 2.495 0.423) 2.697 15.763 ( -2.297 -3.203 -0.474) 3.970 16.053 ( 4.002 6.827 0.916) 7.966 16.128 ( 3.790 -1.767 2.674) 4.963 16.164 ( 6.154 1.365 -0.589) 6.331 16.317 ( 1.184 -12.068 -0.738) 12.148 18.421 ( -3.099 4.545 -0.216) 5.505 18.436 ( -2.938 2.106 0.808) 3.704 18.509 ( -5.166 -0.978 1.143) 5.381 18.554 ( -5.707 -4.009 -1.127) 7.065 18.727 ( -0.714 1.386 -1.240) 1.992 18.760 ( 1.681 -1.821 -3.481) 4.273 18.877 ( 2.420 3.817 -0.822) 4.594 18.905 ( 0.993 3.143 1.514) 3.627 18.961 ( 1.302 -1.396 3.960) 4.396 18.993 ( 2.715 -2.953 -1.316) 4.221 19.273 ( 0.035 2.910 0.538) 2.960 19.327 ( 0.943 -1.609 0.506) 1.933 21.343 ( -1.220 2.224 -1.858) 3.145 21.413 ( -1.560 -4.187 0.079) 4.469 21.735 ( 0.357 0.837 1.767) 1.988 21.767 ( -1.484 -2.410 -0.676) 2.910 23.295 ( -3.637 3.034 0.381) 4.751 23.354 ( -3.398 -2.301 -0.149) 4.107 23.412 ( -2.183 0.032 -0.305) 2.205 23.426 ( -2.061 -0.834 0.105) 2.226 23.738 ( 4.040 1.845 0.648) 4.488 23.749 ( 3.940 -0.436 -0.728) 4.030 23.761 ( 1.814 -1.754 -0.667) 2.610 23.800 ( 2.137 -3.297 0.514) 3.963 ======================= Grid point 90 (48/70) ======================= q-point: (-0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 2.554 -0.110 -3.164) 4.067 2.173 ( 3.930 -3.576 -4.883) 7.217 2.400 ( -1.076 4.590 2.585) 5.376 2.423 ( -2.593 1.585 0.859) 3.158 2.519 ( -0.235 -3.064 -2.254) 3.811 2.550 ( -2.545 0.004 -2.157) 3.336 2.594 ( -3.126 4.865 4.524) 7.342 2.627 ( 3.571 7.371 1.207) 8.279 2.702 ( 1.346 -2.318 0.796) 2.796 2.739 ( -0.700 3.808 -1.813) 4.276 2.793 ( 0.613 10.684 -2.322) 10.951 2.874 ( 2.828 0.049 1.191) 3.069 2.893 ( -0.346 -5.419 -4.249) 6.895 2.968 ( 3.080 4.509 0.785) 5.516 3.030 ( -1.746 -7.760 1.651) 8.123 3.071 ( 0.591 -7.245 0.320) 7.276 3.117 ( -4.128 1.753 6.986) 8.302 3.173 ( 0.403 -1.084 0.303) 1.195 3.228 ( -0.464 0.728 1.210) 1.486 3.312 ( -1.351 -3.567 -0.983) 3.939 3.468 ( -1.566 0.763 -0.422) 1.793 3.524 ( 0.072 -1.948 -1.357) 2.375 3.561 ( 0.548 1.150 -1.665) 2.097 3.593 ( 2.596 -3.957 -3.539) 5.910 3.616 ( -0.021 1.528 -3.312) 3.647 3.672 ( -1.599 -3.659 -0.630) 4.042 3.798 ( 3.545 -2.248 -1.383) 4.419 3.850 ( -0.825 -7.033 -0.752) 7.121 3.938 ( 3.736 6.695 1.278) 7.773 4.080 ( 3.157 -3.081 -1.557) 4.678 4.163 ( -1.935 1.538 5.941) 6.435 4.244 ( -3.060 0.134 5.635) 6.414 4.291 ( -1.292 -5.512 3.525) 6.669 4.330 ( 2.381 -4.964 5.739) 7.953 4.434 ( -4.678 -3.652 -1.412) 6.100 4.460 ( -2.968 -5.680 5.474) 8.428 4.739 ( -1.625 5.668 -6.425) 8.721 4.861 ( -2.452 -4.987 0.794) 5.614 4.897 ( -0.101 0.320 -1.999) 2.027 4.945 ( 1.937 -4.273 -6.866) 8.316 5.153 ( 6.057 2.099 -3.379) 7.246 5.207 ( 0.887 0.039 -0.995) 1.333 5.330 ( -1.104 2.312 1.547) 2.994 5.354 ( 0.802 3.642 3.520) 5.129 5.401 ( -2.436 3.259 0.583) 4.111 5.436 ( 3.056 -2.812 2.386) 4.789 5.499 ( -0.692 0.610 -1.303) 1.596 5.524 ( 2.118 0.967 -4.133) 4.744 5.536 ( -2.190 0.044 0.688) 2.296 5.675 ( 1.357 -7.600 0.386) 7.729 5.755 ( -2.841 0.648 1.318) 3.198 5.773 ( -2.619 -0.730 0.760) 2.823 5.957 ( -1.867 4.056 2.173) 4.966 6.009 ( 1.635 -1.784 4.082) 4.746 6.068 ( -1.436 4.756 -5.639) 7.515 6.161 ( -3.290 -3.656 -5.770) 7.582 6.249 ( 5.462 5.494 1.969) 7.994 6.285 ( -5.015 2.920 -5.660) 8.107 6.322 ( 0.671 -0.196 -5.041) 5.089 6.389 ( 5.029 -5.501 -2.254) 7.787 6.471 ( -7.687 3.127 6.671) 10.647 6.549 ( -6.885 -1.318 5.437) 8.871 6.553 ( 5.121 1.001 6.429) 8.280 6.609 ( -2.068 -1.624 7.393) 7.846 6.771 ( 3.009 2.367 2.830) 4.761 6.790 ( 5.794 -0.354 10.395) 11.906 6.878 ( 8.113 1.146 2.897) 8.691 6.945 ( 8.483 -4.085 -7.249) 11.882 7.086 ( -4.232 -1.211 -5.601) 7.124 7.090 ( -0.823 0.441 -6.294) 6.362 7.165 ( 1.886 -1.694 -3.381) 4.226 7.194 ( 1.496 -3.414 -8.324) 9.120 7.331 ( -0.284 1.938 -2.175) 2.927 7.345 ( -1.212 0.338 0.007) 1.258 7.471 ( -4.204 -0.348 -3.482) 5.470 7.549 ( -2.641 -7.347 -4.210) 8.870 7.653 ( 0.966 1.830 2.360) 3.139 7.674 ( -2.293 2.108 4.628) 5.578 7.760 ( -0.296 -0.502 5.406) 5.437 7.842 ( 0.753 -3.877 2.985) 4.951 7.915 ( 1.731 -2.064 3.764) 4.629 7.927 ( -3.567 -1.875 5.002) 6.423 8.189 ( -3.261 5.529 -6.879) 9.408 8.272 ( -4.308 1.058 -3.576) 5.698 8.339 ( 5.247 -2.475 -2.579) 6.349 8.418 ( -2.877 -5.512 -4.259) 7.536 8.511 ( 0.114 -0.487 2.799) 2.844 8.528 ( 3.717 -1.074 5.463) 6.694 8.605 ( 2.915 3.035 5.383) 6.833 8.683 ( 0.677 -3.727 -1.238) 3.985 8.812 ( -3.911 1.244 -7.115) 8.214 8.864 ( 0.409 -3.563 -2.510) 4.377 9.057 ( -0.081 2.101 -2.635) 3.371 9.067 ( 6.278 4.471 3.326) 8.394 9.161 ( -1.423 -0.433 -5.239) 5.446 9.201 ( 3.343 -0.969 -5.242) 6.293 9.347 ( -2.723 4.077 -0.512) 4.929 9.438 ( -1.657 -3.270 -0.935) 3.783 9.592 ( 2.016 2.562 -1.977) 3.813 9.621 ( -4.148 -0.097 -3.258) 5.276 9.715 ( -0.826 4.312 12.318) 13.077 9.761 ( -3.366 -0.906 14.029) 14.455 9.818 ( -1.270 -0.126 2.633) 2.926 9.859 ( -1.168 -1.425 3.365) 3.837 10.164 ( 2.851 6.794 -7.242) 10.331 10.251 ( 2.055 -0.896 -9.057) 9.330 10.382 ( 1.320 7.507 3.501) 8.388 10.463 ( 0.075 1.303 0.419) 1.370 10.710 ( -1.006 1.502 -0.425) 1.857 10.759 ( -0.741 0.137 -1.863) 2.009 10.818 ( 2.112 12.026 4.794) 13.118 10.922 ( -0.137 -1.568 0.331) 1.608 10.943 ( -2.736 1.728 7.065) 7.771 11.045 ( -4.604 -1.743 2.827) 5.677 11.086 ( 5.830 16.006 -3.333) 17.357 11.143 ( 0.896 3.377 0.160) 3.497 11.181 ( -2.114 0.585 -1.448) 2.628 11.219 ( 1.070 -0.088 -0.295) 1.114 11.305 ( -0.451 -6.567 -2.059) 6.897 11.364 ( 6.444 -7.246 -9.203) 13.369 11.478 ( -0.687 -6.270 -0.104) 6.309 11.513 ( -2.218 -8.937 -1.860) 9.394 11.782 ( -2.052 0.805 1.244) 2.531 11.783 ( -1.166 -0.954 2.432) 2.861 11.947 ( 1.072 3.107 1.514) 3.619 12.002 ( 1.145 -4.299 -0.252) 4.456 12.198 ( 0.598 3.557 0.963) 3.733 12.263 ( -0.328 -1.280 -2.648) 2.960 12.308 ( -2.581 1.426 2.721) 4.012 12.378 ( 2.897 0.664 0.621) 3.037 12.466 ( -0.328 -2.381 2.372) 3.377 12.525 ( -0.592 -5.084 -0.422) 5.136 13.459 ( -1.498 1.435 -0.688) 2.186 13.475 ( -0.810 -0.294 -0.560) 1.028 13.666 ( 0.797 2.129 -2.616) 3.466 13.695 ( 2.160 -0.697 -3.187) 3.912 13.826 ( 0.334 3.230 1.987) 3.807 13.885 ( -1.623 -2.299 1.571) 3.223 13.955 ( -0.050 0.785 -3.310) 3.402 13.972 ( 0.832 -0.895 -1.720) 2.110 14.147 ( -0.948 2.247 -0.893) 2.598 14.163 ( -1.460 0.684 -1.589) 2.264 14.306 ( 0.867 2.827 5.007) 5.815 14.322 ( 0.896 1.255 4.424) 4.685 15.177 ( 0.557 -0.580 -0.387) 0.892 15.188 ( -0.941 -1.518 -0.673) 1.909 15.227 ( -0.470 -0.247 1.197) 1.310 15.245 ( 1.400 -1.970 0.859) 2.565 15.535 ( 0.776 0.925 0.721) 1.406 15.567 ( 0.333 -1.953 -0.519) 2.048 15.712 ( 0.533 0.924 2.083) 2.340 15.753 ( 0.719 -2.724 0.821) 2.935 16.094 ( -0.196 4.744 1.087) 4.871 16.143 ( -3.068 0.956 -0.189) 3.219 16.244 ( 4.041 -3.907 -2.359) 6.096 16.262 ( -3.931 -5.349 -2.794) 7.202 18.400 ( 1.231 4.333 0.504) 4.533 18.424 ( -1.868 1.215 -0.618) 2.312 18.447 ( -1.269 -1.500 1.086) 2.244 18.497 ( 1.695 -3.978 -0.934) 4.424 18.701 ( -0.207 2.431 -1.528) 2.879 18.751 ( 1.878 -2.316 -3.374) 4.502 18.892 ( 0.388 2.264 -0.035) 2.298 18.903 ( -1.499 1.430 -0.127) 2.075 19.004 ( -1.663 0.799 3.236) 3.725 19.036 ( 1.802 -2.238 0.883) 3.005 19.292 ( 0.172 3.217 2.096) 3.843 19.339 ( -0.332 -0.751 0.261) 0.862 21.318 ( 0.815 0.618 -1.308) 1.661 21.367 ( -1.277 -3.920 -2.906) 5.044 21.747 ( -1.111 1.009 1.621) 2.209 21.777 ( 1.651 -1.933 1.273) 2.843 23.274 ( 0.120 2.114 1.329) 2.500 23.320 ( 0.021 -2.244 -0.530) 2.306 23.390 ( 0.111 0.364 -0.189) 0.425 23.404 ( -0.251 -0.412 -0.418) 0.639 23.756 ( -0.970 -0.522 -0.509) 1.213 23.780 ( 1.217 -2.485 -1.403) 3.102 23.797 ( 0.820 0.607 1.169) 1.551 23.815 ( -1.047 -1.122 0.276) 1.559 ======================= Grid point 91 (49/70) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 3.253 0.942 -2.619) 4.281 2.213 ( 5.984 -4.184 -4.159) 8.403 2.349 ( -4.266 7.801 1.568) 9.028 2.418 ( -2.518 2.146 -0.124) 3.311 2.503 ( 0.081 3.911 -1.017) 4.042 2.531 ( 3.465 0.495 -1.016) 3.645 2.602 ( -2.104 -3.496 4.163) 5.829 2.639 ( -1.589 -2.256 1.483) 3.133 2.703 ( -2.846 3.415 0.985) 4.553 2.744 ( 1.113 6.975 -1.792) 7.287 2.762 ( 1.450 3.071 -1.771) 3.830 2.850 ( 1.364 7.336 -1.012) 7.530 2.954 ( 4.870 1.995 -2.402) 5.785 3.000 ( 2.708 -10.250 0.984) 10.647 3.061 ( 0.949 -1.950 -1.283) 2.520 3.116 ( 1.884 0.906 1.820) 2.772 3.168 ( 4.605 -9.686 2.288) 10.967 3.209 ( 1.470 -1.341 1.663) 2.593 3.241 ( -2.992 4.535 2.740) 6.085 3.314 ( 2.174 -1.759 1.402) 3.128 3.429 ( -0.986 1.465 -0.633) 1.876 3.514 ( 2.042 -3.284 -1.262) 4.068 3.532 ( 0.333 -2.133 -5.407) 5.822 3.571 ( -2.334 -3.922 -2.086) 5.018 3.630 ( 5.509 1.504 -1.545) 5.916 3.701 ( 5.932 -4.944 -1.681) 7.903 3.814 ( 3.466 -1.033 -3.264) 4.872 3.911 ( 5.684 -6.988 -1.168) 9.084 4.011 ( 2.772 5.396 1.330) 6.211 4.130 ( 1.616 -3.887 -0.227) 4.216 4.149 ( -10.241 0.525 5.278) 11.533 4.216 ( -3.204 -0.496 5.461) 6.351 4.345 ( 1.504 0.602 -3.067) 3.469 4.357 ( 0.612 3.046 5.435) 6.260 4.478 ( 5.839 -6.401 6.850) 11.045 4.501 ( 5.247 -8.557 -5.812) 11.599 4.656 ( -5.960 6.248 5.328) 10.146 4.779 ( -9.176 -1.807 0.340) 9.358 4.839 ( -2.828 -1.085 3.164) 4.380 4.891 ( 1.184 -4.963 -6.485) 8.251 5.110 ( -4.784 1.071 0.664) 4.947 5.164 ( -3.104 -3.384 -1.792) 4.930 5.267 ( -4.665 3.915 -3.738) 7.146 5.317 ( -5.132 0.238 -1.074) 5.249 5.390 ( 1.288 1.801 2.672) 3.470 5.426 ( -2.321 0.865 -2.829) 3.760 5.528 ( 1.529 3.168 -0.775) 3.603 5.564 ( 3.946 1.825 0.212) 4.352 5.627 ( 0.214 -1.085 -1.362) 1.754 5.695 ( -2.942 1.258 0.665) 3.268 5.709 ( 6.015 -4.229 0.067) 7.353 5.798 ( -6.876 -3.063 3.800) 8.432 5.933 ( -5.732 2.185 -0.432) 6.149 5.975 ( -3.287 0.350 1.391) 3.586 6.050 ( -4.935 2.345 -1.369) 5.632 6.079 ( -0.549 -1.367 6.247) 6.418 6.100 ( -0.840 -0.264 4.831) 4.910 6.159 ( -6.702 -4.167 -2.837) 8.386 6.341 ( 4.247 4.616 -1.007) 6.353 6.405 ( 2.397 -1.243 -5.222) 5.879 6.441 ( -2.351 0.177 3.592) 4.296 6.523 ( -4.908 -5.465 4.431) 8.578 6.650 ( 0.409 4.671 -0.174) 4.693 6.757 ( 3.839 -2.811 1.961) 5.146 6.832 ( 1.864 1.460 -3.290) 4.053 6.889 ( 0.488 -3.114 -9.783) 10.278 6.960 ( -1.335 0.979 2.920) 3.357 6.983 ( -1.258 1.534 -1.885) 2.736 7.003 ( 2.376 0.906 -3.405) 4.250 7.080 ( 4.918 -3.355 -5.068) 7.818 7.204 ( 9.877 1.136 -1.560) 10.063 7.220 ( 6.659 -0.761 -3.242) 7.445 7.320 ( 2.714 1.505 -0.991) 3.257 7.345 ( 3.670 1.793 1.492) 4.349 7.448 ( 2.054 -5.608 4.047) 7.215 7.509 ( 3.476 -8.478 -0.478) 9.175 7.645 ( -3.241 2.710 2.399) 4.858 7.667 ( -5.638 -0.451 5.198) 7.681 7.808 ( -2.596 0.522 5.794) 6.371 7.841 ( -1.538 -3.520 1.225) 4.032 7.924 ( -0.653 2.418 -3.752) 4.512 7.980 ( 2.414 -1.547 1.884) 3.431 8.102 ( -1.948 8.837 -1.845) 9.236 8.269 ( -3.400 -2.891 -4.416) 6.278 8.308 ( 5.475 -0.442 3.595) 6.564 8.405 ( 2.470 -6.287 3.670) 7.687 8.540 ( -0.218 3.340 2.957) 4.466 8.605 ( 1.784 2.237 -4.352) 5.208 8.656 ( 0.661 -5.242 -1.627) 5.528 8.689 ( 2.492 -6.305 -3.674) 7.711 8.787 ( -0.782 2.559 3.584) 4.473 8.829 ( -1.351 -0.141 -2.599) 2.933 8.977 ( -1.091 -0.706 -3.943) 4.151 9.028 ( 0.891 -3.512 -3.304) 4.903 9.132 ( -3.732 6.504 -3.476) 8.265 9.251 ( 1.246 -2.516 -0.559) 2.863 9.346 ( 1.811 5.360 3.130) 6.466 9.435 ( 0.065 -1.283 0.457) 1.364 9.558 ( 2.767 4.407 1.840) 5.519 9.611 ( 2.483 -0.337 2.294) 3.397 9.769 ( -3.480 2.515 4.598) 6.291 9.848 ( 0.606 -0.443 1.882) 2.026 9.886 ( -1.195 0.394 12.526) 12.589 9.895 ( 0.017 2.811 2.338) 3.656 10.114 ( 1.473 3.176 -8.833) 9.501 10.164 ( 0.633 -0.570 -9.641) 9.679 10.414 ( -3.106 5.663 -0.981) 6.532 10.433 ( -0.914 4.060 1.818) 4.542 10.695 ( -6.112 0.754 -0.979) 6.235 10.720 ( -2.313 -3.658 -1.610) 4.617 10.747 ( -9.407 8.633 6.228) 14.206 10.868 ( -8.668 4.778 -0.653) 9.919 10.980 ( -0.061 6.439 2.225) 6.813 11.000 ( 2.778 -0.023 4.377) 5.184 11.096 ( -2.068 2.066 -2.638) 3.938 11.154 ( 0.101 -3.156 -2.018) 3.748 11.209 ( 4.024 6.638 -0.088) 7.763 11.243 ( 2.618 2.000 -2.518) 4.146 11.299 ( 4.581 -5.320 -3.166) 7.701 11.399 ( 3.630 -6.285 -3.052) 7.874 11.466 ( 0.273 -4.835 0.093) 4.843 11.492 ( 1.261 -6.492 0.542) 6.635 11.759 ( -2.162 0.680 1.390) 2.659 11.778 ( -2.055 -1.646 1.807) 3.193 11.946 ( -0.866 4.864 0.008) 4.940 12.069 ( 4.985 -4.414 -0.900) 6.718 12.200 ( -2.446 2.250 0.842) 3.428 12.223 ( -0.124 1.815 -0.208) 1.831 12.306 ( -1.886 -0.261 2.083) 2.822 12.381 ( -1.721 -3.477 -1.464) 4.147 12.451 ( -1.273 1.608 0.576) 2.130 12.561 ( 2.341 -7.571 0.740) 7.959 13.435 ( -1.346 2.453 0.926) 2.947 13.466 ( 0.329 -0.323 0.235) 0.517 13.651 ( 0.455 2.073 -1.881) 2.835 13.683 ( 0.377 -0.930 -3.208) 3.361 13.850 ( 0.061 0.769 0.159) 0.788 13.862 ( 0.033 0.036 0.563) 0.565 13.963 ( 2.068 0.702 0.375) 2.216 13.982 ( 2.077 -1.224 -1.097) 2.649 14.126 ( -1.646 1.388 1.156) 2.443 14.127 ( -1.885 1.332 0.233) 2.320 14.339 ( -1.665 2.123 1.603) 3.138 14.343 ( -1.781 1.721 0.582) 2.544 15.161 ( -1.171 -0.196 -0.494) 1.286 15.179 ( 0.029 -1.886 -0.069) 1.887 15.242 ( 0.719 0.924 0.526) 1.284 15.274 ( 1.294 -2.021 -0.275) 2.416 15.570 ( 2.190 0.670 -0.723) 2.402 15.584 ( 2.788 -0.445 -0.680) 2.904 15.753 ( 1.394 0.548 1.211) 1.927 15.787 ( 2.715 -2.428 -2.078) 4.193 16.049 ( -5.631 3.874 0.753) 6.876 16.117 ( -1.608 -2.974 5.375) 6.350 16.144 ( -6.037 1.849 -1.223) 6.431 16.256 ( 0.249 -8.997 -2.052) 9.232 18.408 ( 1.817 4.023 0.210) 4.419 18.467 ( 4.832 4.450 0.406) 6.581 18.480 ( 3.789 -2.621 0.663) 4.655 18.561 ( 5.538 -4.729 -0.343) 7.290 18.690 ( 1.123 3.064 -1.669) 3.665 18.748 ( 2.199 -2.517 -3.090) 4.552 18.858 ( -3.324 2.520 0.100) 4.172 18.904 ( -0.656 -1.216 1.647) 2.149 18.973 ( -4.786 3.393 1.144) 5.977 19.049 ( -1.313 -3.072 0.137) 3.344 19.313 ( -0.790 1.673 1.452) 2.352 19.318 ( -1.465 1.227 -0.368) 1.946 21.320 ( -0.137 -0.762 -2.424) 2.545 21.346 ( 2.469 -3.215 0.791) 4.131 21.761 ( 0.319 2.229 1.497) 2.704 21.810 ( 1.615 -2.713 -0.563) 3.207 23.324 ( 3.565 0.530 1.416) 3.872 23.340 ( 3.490 -0.811 -1.206) 3.781 23.407 ( 1.768 0.670 -0.277) 1.911 23.415 ( 2.220 0.167 0.093) 2.228 23.715 ( -3.581 0.260 0.195) 3.596 23.760 ( -2.365 -2.119 -0.870) 3.292 23.771 ( -3.272 -0.974 -0.292) 3.426 23.793 ( -2.609 -1.417 0.742) 3.061 ======================= Grid point 92 (50/70) ======================= q-point: (-0.17 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( -0.539 4.590 2.692) 5.348 2.269 ( 3.136 -2.701 -0.752) 4.206 2.303 ( -0.470 8.483 -0.797) 8.533 2.376 ( 0.880 6.638 -0.749) 6.738 2.508 ( 1.919 4.278 -3.640) 5.936 2.572 ( -0.293 -1.022 -0.817) 1.341 2.591 ( -4.100 0.985 -0.952) 4.322 2.624 ( 1.769 0.106 1.785) 2.515 2.697 ( -0.667 -0.837 2.561) 2.776 2.741 ( 4.808 -0.008 -0.418) 4.826 2.819 ( 1.427 -1.132 -0.817) 1.997 2.870 ( -0.725 -1.163 -0.251) 1.393 2.945 ( -3.408 -1.352 1.214) 3.863 3.026 ( 4.984 -1.009 0.366) 5.099 3.128 ( 4.753 0.138 -0.545) 4.786 3.160 ( -0.709 1.952 -0.965) 2.290 3.184 ( -0.418 8.054 0.412) 8.076 3.225 ( 0.309 0.512 0.246) 0.647 3.317 ( 4.934 -9.301 1.310) 10.610 3.376 ( 2.487 4.836 -2.359) 5.927 3.430 ( -1.977 -10.988 1.898) 11.325 3.506 ( 5.512 -1.076 0.034) 5.616 3.522 ( -2.033 -4.541 4.208) 6.516 3.575 ( 3.198 -4.293 0.946) 5.436 3.746 ( 8.606 2.619 -1.154) 9.069 3.816 ( 10.255 -3.354 -1.805) 10.940 3.838 ( 0.863 0.696 -0.781) 1.356 3.920 ( -3.598 -0.332 -1.908) 4.086 4.037 ( 1.704 0.344 -2.044) 2.683 4.046 ( -1.475 -2.147 0.140) 2.609 4.151 ( -1.565 -4.407 1.959) 5.070 4.201 ( -1.979 -4.871 -2.248) 5.718 4.347 ( -2.290 -0.524 -2.756) 3.622 4.407 ( -5.147 1.831 5.487) 7.743 4.460 ( 5.814 2.043 -5.874) 8.513 4.563 ( -5.003 -1.827 0.152) 5.329 4.646 ( -4.355 1.221 1.442) 4.747 4.714 ( 6.532 -2.746 8.422) 11.006 4.852 ( -1.096 0.708 0.977) 1.630 4.926 ( 1.605 1.067 5.307) 5.646 5.068 ( -1.874 0.026 -5.836) 6.129 5.082 ( -3.581 -0.270 -2.331) 4.281 5.184 ( -1.711 -0.263 1.578) 2.342 5.230 ( -2.514 -4.310 -0.993) 5.087 5.342 ( -3.393 5.306 -1.785) 6.546 5.440 ( -9.989 0.776 -1.825) 10.183 5.457 ( 0.491 -1.520 3.094) 3.482 5.516 ( -2.667 -2.077 2.411) 4.151 5.541 ( -5.092 -0.176 -2.160) 5.534 5.648 ( -0.682 -5.065 -3.745) 6.336 5.713 ( -2.665 0.922 3.609) 4.580 5.795 ( -2.249 -4.547 2.865) 5.826 5.857 ( -4.978 1.268 2.409) 5.674 5.894 ( -4.641 -1.583 -0.083) 4.905 5.986 ( -0.883 6.076 -0.754) 6.186 6.089 ( 0.477 -3.782 -3.463) 5.151 6.186 ( 2.297 1.533 0.729) 2.856 6.238 ( 1.871 -3.488 2.522) 4.694 6.313 ( -3.858 1.144 -5.962) 7.193 6.345 ( 0.735 -0.034 -0.556) 0.922 6.476 ( 2.787 -0.059 -0.031) 2.787 6.509 ( 2.077 -3.428 -0.761) 4.080 6.679 ( 4.160 3.960 0.093) 5.744 6.750 ( 1.309 -2.518 -4.526) 5.342 6.778 ( 2.062 -1.405 -1.602) 2.965 6.792 ( -0.741 -2.629 -1.431) 3.083 6.923 ( -2.056 0.618 2.263) 3.119 6.949 ( -1.284 -1.709 0.982) 2.352 7.059 ( 4.648 1.663 -2.470) 5.520 7.129 ( 1.939 -4.457 -2.409) 5.425 7.229 ( 1.944 5.745 -0.352) 6.076 7.324 ( 2.340 -3.043 -0.555) 3.879 7.406 ( 5.096 2.139 0.381) 5.540 7.476 ( 6.231 2.360 0.910) 6.725 7.499 ( -1.987 -1.532 1.628) 2.991 7.601 ( 3.859 -5.045 1.698) 6.575 7.647 ( -4.018 -0.117 6.333) 7.501 7.696 ( -0.095 -3.977 4.502) 6.008 7.772 ( -2.694 3.009 -1.256) 4.229 7.824 ( -3.051 -2.950 0.132) 4.246 7.882 ( 3.822 6.581 -2.982) 8.174 8.021 ( 0.934 -5.315 -0.376) 5.410 8.124 ( 4.547 6.208 2.249) 8.017 8.222 ( 1.082 -3.292 1.076) 3.628 8.377 ( -4.283 4.276 2.361) 6.496 8.439 ( -4.362 0.174 0.242) 4.372 8.516 ( -1.535 0.503 -1.035) 1.918 8.577 ( -1.325 1.340 -2.736) 3.322 8.606 ( 0.281 1.606 -4.827) 5.095 8.710 ( 1.486 -3.749 -3.106) 5.090 8.761 ( 2.400 -3.582 2.869) 5.179 8.791 ( 1.270 -4.104 -0.611) 4.339 9.013 ( 2.603 -0.299 3.849) 4.656 9.070 ( 0.844 -5.018 2.210) 5.548 9.114 ( 4.554 8.251 0.400) 9.433 9.257 ( 0.474 -4.182 -0.347) 4.223 9.362 ( -2.820 2.502 0.296) 3.782 9.385 ( -1.571 0.769 -2.178) 2.793 9.698 ( 3.305 4.029 0.730) 5.262 9.731 ( 6.337 3.918 4.589) 8.750 9.762 ( -1.381 5.416 -1.718) 5.847 9.851 ( 0.073 -0.642 0.262) 0.697 9.893 ( -2.105 4.898 -0.173) 5.334 9.976 ( 0.134 5.044 4.885) 7.023 10.033 ( 0.901 -4.771 -8.251) 9.574 10.089 ( 1.824 -2.002 0.050) 2.709 10.332 ( -3.776 7.571 -1.567) 8.604 10.425 ( -2.127 -0.070 0.907) 2.313 10.480 ( -13.688 1.119 2.818) 14.020 10.553 ( -9.999 -6.400 -0.609) 11.888 10.738 ( -3.181 3.996 0.654) 5.149 10.824 ( 0.362 1.287 1.565) 2.059 10.997 ( -0.969 1.935 -1.920) 2.893 11.031 ( 0.609 9.956 -0.426) 9.984 11.091 ( 3.248 -1.233 -3.187) 4.715 11.153 ( 1.636 5.517 -3.657) 6.819 11.173 ( 0.039 -0.810 2.158) 2.305 11.283 ( 2.995 1.494 -1.985) 3.891 11.378 ( 3.460 -5.074 1.255) 6.268 11.405 ( -0.401 -4.660 1.440) 4.894 11.502 ( -1.178 -2.690 3.828) 4.825 11.521 ( 2.913 -2.923 -1.758) 4.486 11.729 ( -2.948 1.450 1.247) 3.514 11.768 ( -0.322 -3.069 0.229) 3.094 11.932 ( 0.312 8.023 -1.170) 8.114 12.108 ( 0.897 0.492 -1.859) 2.122 12.191 ( -2.739 -2.815 2.847) 4.851 12.212 ( 1.695 -3.377 -0.727) 3.848 12.298 ( -1.637 -0.789 0.409) 1.863 12.332 ( 0.119 -1.780 -3.325) 3.774 12.436 ( -0.547 2.542 0.385) 2.628 12.588 ( 0.282 -9.815 -0.353) 9.826 13.436 ( -1.698 3.505 3.754) 5.409 13.492 ( 0.682 -1.431 2.223) 2.730 13.640 ( 0.000 0.998 -1.079) 1.470 13.654 ( 1.279 -0.185 -2.434) 2.756 13.859 ( 1.112 1.863 0.391) 2.205 13.891 ( 0.321 -1.055 1.927) 2.220 13.995 ( 1.434 0.815 -0.734) 1.805 14.012 ( 2.317 -0.863 -0.999) 2.667 14.101 ( -2.027 2.138 1.000) 3.112 14.115 ( -1.945 0.865 2.133) 3.014 14.288 ( -2.325 2.149 -2.543) 4.061 14.297 ( -2.234 1.220 -1.947) 3.205 15.145 ( -0.414 1.180 0.445) 1.327 15.182 ( -0.011 -2.344 0.896) 2.510 15.257 ( 1.071 1.497 -0.670) 1.959 15.282 ( 0.570 -0.730 -0.950) 1.327 15.613 ( 4.031 0.887 -0.160) 4.130 15.635 ( 3.200 -1.108 0.486) 3.421 15.772 ( 1.888 1.192 -2.104) 3.068 15.792 ( 0.796 0.703 -0.796) 1.327 15.985 ( -3.530 4.066 0.813) 5.446 16.029 ( -5.732 5.591 -0.734) 8.040 16.156 ( -2.275 -9.996 4.518) 11.203 16.216 ( -2.389 -12.712 -1.790) 13.058 18.490 ( 6.416 5.440 0.982) 8.469 18.551 ( 6.378 2.243 -1.280) 6.881 18.579 ( 4.326 0.076 1.512) 4.583 18.640 ( 0.770 -2.383 1.914) 3.152 18.716 ( 6.088 1.073 -3.096) 6.914 18.753 ( 1.759 -2.022 -1.917) 3.295 18.792 ( -4.901 3.872 0.654) 6.280 18.866 ( -6.492 -0.487 0.998) 6.586 18.916 ( -1.511 0.980 0.839) 1.987 18.997 ( -3.794 -3.784 -0.897) 5.433 19.284 ( -0.881 2.111 -0.609) 2.367 19.311 ( -1.109 -0.314 0.434) 1.232 21.313 ( 0.612 2.733 0.641) 2.873 21.400 ( 1.240 -5.397 1.870) 5.845 21.786 ( 1.775 1.114 -0.408) 2.135 21.816 ( 0.626 -1.929 -1.795) 2.708 23.399 ( 5.220 1.763 -1.141) 5.627 23.426 ( 5.894 -0.908 0.797) 6.016 23.448 ( 2.955 1.343 0.045) 3.246 23.468 ( 3.431 -0.458 0.305) 3.475 23.643 ( -5.158 1.355 0.515) 5.358 23.668 ( -6.339 2.441 -0.413) 6.805 23.726 ( -2.363 -5.545 -0.313) 6.035 23.734 ( -4.454 -3.672 0.411) 5.787 ======================= Grid point 117 (51/70) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -0.451 0.000 -28.824) 28.827 1.187 ( 0.451 0.000 28.824) 28.827 1.270 ( -2.395 0.000 -31.180) 31.271 1.270 ( 2.395 0.000 31.180) 31.271 2.114 ( 0.312 0.000 -46.926) 46.927 2.114 ( -0.312 0.000 46.926) 46.927 2.441 ( 4.011 0.000 -3.920) 5.609 2.441 ( -4.011 0.000 3.920) 5.609 2.574 ( -7.755 0.000 -3.252) 8.409 2.574 ( 7.755 0.000 3.252) 8.409 2.725 ( 4.396 0.000 -6.404) 7.767 2.725 ( -4.396 0.000 6.404) 7.767 2.926 ( 3.497 0.000 -2.356) 4.217 2.926 ( -3.497 0.000 2.356) 4.217 3.091 ( 2.733 0.000 -3.737) 4.629 3.091 ( -2.733 0.000 3.737) 4.629 3.270 ( -1.166 0.000 -6.745) 6.845 3.270 ( 1.166 0.000 6.745) 6.845 3.409 ( -1.909 0.000 0.408) 1.952 3.409 ( 1.909 0.000 -0.408) 1.952 3.694 ( -9.408 0.000 1.083) 9.470 3.694 ( 9.408 0.000 -1.083) 9.470 3.785 ( 0.617 0.000 -5.829) 5.862 3.785 ( -0.617 0.000 5.829) 5.862 3.888 ( -5.970 0.000 -5.990) 8.457 3.888 ( 5.970 0.000 5.990) 8.457 3.955 ( -4.839 0.000 1.322) 5.016 3.955 ( 4.839 0.000 -1.322) 5.016 4.210 ( -4.764 0.000 -2.703) 5.478 4.210 ( 4.764 0.000 2.703) 5.478 4.553 ( -0.855 0.000 -4.277) 4.362 4.553 ( 0.855 0.000 4.277) 4.362 4.733 ( -9.280 0.000 -2.506) 9.612 4.733 ( 9.280 0.000 2.506) 9.612 4.896 ( 2.433 0.000 -4.381) 5.011 4.896 ( -2.433 0.000 4.381) 5.011 5.052 ( -5.684 0.000 -6.576) 8.692 5.052 ( 5.684 0.000 6.576) 8.692 5.086 ( 1.332 0.000 -3.017) 3.298 5.086 ( -1.332 0.000 3.017) 3.298 5.297 ( 6.117 0.000 -9.942) 11.673 5.297 ( -6.117 0.000 9.942) 11.673 5.376 ( 4.768 0.000 -11.199) 12.172 5.376 ( -4.768 0.000 11.199) 12.172 5.508 ( -0.669 0.000 -1.815) 1.935 5.508 ( 0.669 0.000 1.815) 1.935 5.669 ( -8.500 0.000 1.458) 8.624 5.669 ( 8.500 0.000 -1.458) 8.624 5.754 ( -1.359 0.000 -7.714) 7.833 5.754 ( 1.359 0.000 7.714) 7.833 5.778 ( -5.712 0.000 -2.717) 6.326 5.778 ( 5.712 0.000 2.717) 6.326 5.987 ( 2.161 0.000 -4.057) 4.596 5.987 ( -2.161 0.000 4.057) 4.596 6.062 ( 7.230 0.000 -6.519) 9.735 6.062 ( -7.230 0.000 6.519) 9.735 6.237 ( -2.782 0.000 -2.975) 4.073 6.237 ( 2.782 0.000 2.975) 4.073 6.409 ( 2.445 0.000 -4.544) 5.160 6.409 ( -2.445 0.000 4.544) 5.160 6.459 ( -2.114 0.000 -6.388) 6.729 6.459 ( 2.114 0.000 6.388) 6.729 6.620 ( -0.465 0.000 -2.058) 2.110 6.620 ( 0.465 0.000 2.058) 2.110 6.859 ( -0.776 0.000 -6.641) 6.686 6.859 ( 0.776 0.000 6.641) 6.686 6.981 ( 2.387 0.000 -6.307) 6.744 6.981 ( -2.387 0.000 6.307) 6.744 7.237 ( -6.932 0.000 0.608) 6.958 7.237 ( 6.932 0.000 -0.608) 6.958 7.290 ( 0.789 0.000 -1.914) 2.070 7.290 ( -0.789 0.000 1.914) 2.070 7.525 ( -3.908 0.000 0.681) 3.967 7.525 ( 3.908 0.000 -0.681) 3.967 7.651 ( 5.579 0.000 -3.801) 6.751 7.651 ( -5.579 0.000 3.801) 6.751 7.764 ( -5.410 0.000 -2.785) 6.085 7.764 ( 5.410 0.000 2.785) 6.085 7.777 ( -1.844 0.000 -1.094) 2.143 7.777 ( 1.844 0.000 1.094) 2.143 8.010 ( -1.271 0.000 -5.817) 5.954 8.010 ( 1.271 0.000 5.817) 5.954 8.204 ( -3.581 0.000 -11.084) 11.648 8.204 ( 3.581 0.000 11.084) 11.648 8.283 ( 10.693 0.000 -6.134) 12.327 8.283 ( -10.693 0.000 6.134) 12.327 8.402 ( -0.919 0.000 -1.473) 1.736 8.402 ( 0.919 0.000 1.473) 1.736 8.545 ( -1.393 0.000 -1.180) 1.825 8.545 ( 1.393 0.000 1.180) 1.825 8.665 ( -6.566 0.000 -2.152) 6.910 8.665 ( 6.566 0.000 2.152) 6.910 8.784 ( 4.523 0.000 -4.215) 6.182 8.784 ( -4.523 0.000 4.215) 6.182 8.990 ( -2.099 0.000 -6.521) 6.850 8.990 ( 2.099 0.000 6.521) 6.850 9.191 ( -2.009 0.000 -4.414) 4.850 9.191 ( 2.009 0.000 4.414) 4.850 9.267 ( -6.614 0.000 -5.206) 8.418 9.267 ( 6.614 0.000 5.206) 8.418 9.487 ( 0.726 0.000 -0.603) 0.944 9.487 ( -0.726 0.000 0.603) 0.944 9.616 ( -0.100 0.000 -0.031) 0.104 9.616 ( 0.100 0.000 0.031) 0.104 9.742 ( -2.351 0.000 -4.130) 4.753 9.742 ( 2.351 0.000 4.130) 4.753 10.097 ( 3.329 0.000 -10.540) 11.053 10.097 ( -3.329 0.000 10.540) 11.053 10.128 ( -7.012 0.000 -3.715) 7.935 10.128 ( 7.012 0.000 3.715) 7.935 10.382 ( -7.370 0.000 -8.766) 11.453 10.382 ( 7.370 0.000 8.766) 11.453 11.010 ( -5.089 0.000 -8.390) 9.813 11.010 ( 5.089 0.000 8.390) 9.813 11.237 ( -4.697 0.000 -7.592) 8.928 11.237 ( 4.697 0.000 7.592) 8.928 11.353 ( -5.701 0.000 -1.586) 5.918 11.353 ( 5.701 0.000 1.586) 5.918 11.418 ( 7.171 0.000 -11.263) 13.352 11.418 ( -7.171 0.000 11.263) 13.352 11.880 ( 3.449 0.000 -5.165) 6.211 11.880 ( -3.449 0.000 5.165) 6.211 11.956 ( 4.372 0.000 -1.962) 4.792 11.956 ( -4.372 0.000 1.962) 4.792 12.230 ( -4.855 0.000 -1.463) 5.071 12.230 ( 4.855 0.000 1.463) 5.071 12.440 ( 0.667 0.000 -2.768) 2.848 12.440 ( -0.667 0.000 2.768) 2.848 12.683 ( -5.144 0.000 -3.352) 6.140 12.683 ( 5.144 0.000 3.352) 6.140 13.079 ( -7.723 0.000 0.447) 7.736 13.079 ( 7.723 0.000 -0.447) 7.736 13.184 ( -2.664 0.000 -0.504) 2.711 13.184 ( 2.664 0.000 0.504) 2.711 13.210 ( -0.969 0.000 0.274) 1.007 13.210 ( 0.969 0.000 -0.274) 1.007 13.446 ( -3.740 0.000 -0.320) 3.753 13.446 ( 3.740 0.000 0.320) 3.753 13.662 ( 0.143 0.000 -4.601) 4.603 13.662 ( -0.143 0.000 4.601) 4.603 13.896 ( 1.155 0.000 -0.473) 1.248 13.896 ( -1.155 0.000 0.473) 1.248 14.053 ( -0.447 0.000 0.012) 0.448 14.053 ( 0.447 0.000 -0.012) 0.448 15.146 ( 0.339 0.000 -2.038) 2.066 15.146 ( -0.339 0.000 2.038) 2.066 15.225 ( 1.096 0.000 -1.414) 1.789 15.225 ( -1.096 0.000 1.414) 1.789 15.573 ( -0.725 0.000 -0.190) 0.749 15.573 ( 0.725 0.000 0.190) 0.749 15.874 ( -1.646 0.000 -0.809) 1.834 15.874 ( 1.646 0.000 0.809) 1.834 15.970 ( 3.074 0.000 -1.524) 3.431 15.970 ( -3.074 0.000 1.524) 3.431 18.185 ( -0.497 0.000 -2.641) 2.687 18.185 ( 0.497 0.000 2.641) 2.687 18.364 ( 1.493 0.000 -1.412) 2.055 18.364 ( -1.493 0.000 1.412) 2.055 18.453 ( -0.969 0.000 -3.465) 3.598 18.453 ( 0.969 0.000 3.465) 3.598 18.728 ( 0.121 0.000 -0.364) 0.384 18.728 ( -0.121 0.000 0.364) 0.384 18.812 ( 1.948 0.000 -1.787) 2.644 18.812 ( -1.948 0.000 1.787) 2.644 19.043 ( -1.313 0.000 -1.710) 2.156 19.043 ( 1.313 0.000 1.710) 2.156 19.368 ( 2.820 0.000 -1.008) 2.995 19.368 ( -2.820 0.000 1.008) 2.995 21.076 ( 2.710 0.000 -5.601) 6.222 21.076 ( -2.710 0.000 5.601) 6.222 21.507 ( -1.332 0.000 -6.660) 6.792 21.507 ( 1.332 0.000 6.660) 6.792 23.344 ( 1.326 0.000 -1.042) 1.686 23.344 ( -1.326 0.000 1.042) 1.686 23.560 ( 2.208 0.000 -1.279) 2.552 23.560 ( -2.208 0.000 1.279) 2.552 23.666 ( -1.025 0.000 0.237) 1.052 23.666 ( 1.025 0.000 -0.237) 1.052 24.061 ( 1.638 0.000 -1.423) 2.170 24.061 ( -1.638 0.000 1.423) 2.170 ======================= Grid point 119 (52/70) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 17.392 0.000 -26.541) 31.732 0.985 ( 17.001 0.000 -25.949) 31.023 1.597 ( 8.360 0.000 22.385) 23.895 1.696 ( 6.636 0.000 27.048) 27.850 1.813 ( 29.143 0.000 -43.221) 52.129 2.318 ( -14.980 0.000 1.360) 15.041 2.328 ( -6.146 0.000 -7.447) 9.656 2.410 ( -6.073 0.000 -1.344) 6.220 2.608 ( -9.352 0.000 7.671) 12.096 2.622 ( -8.395 0.000 -2.450) 8.745 2.740 ( 8.205 0.000 11.071) 13.780 2.745 ( 9.455 0.000 -4.028) 10.277 2.870 ( -0.257 0.000 2.783) 2.794 2.913 ( -0.083 0.000 -1.408) 1.410 3.098 ( -0.432 0.000 0.269) 0.509 3.127 ( -1.103 0.000 10.438) 10.496 3.216 ( 0.935 0.000 -3.060) 3.200 3.369 ( -2.336 0.000 4.734) 5.279 3.422 ( 4.698 0.000 0.894) 4.782 3.501 ( 9.868 0.000 -0.108) 9.869 3.564 ( -7.101 0.000 7.166) 10.089 3.695 ( -1.213 0.000 -0.260) 1.241 3.778 ( -4.102 0.000 3.400) 5.328 3.788 ( 3.404 0.000 -3.504) 4.885 3.858 ( -3.775 0.000 3.459) 5.120 3.914 ( -1.151 0.000 3.375) 3.566 4.123 ( 0.655 0.000 0.091) 0.662 4.180 ( 3.770 0.000 5.004) 6.266 4.201 ( 7.085 0.000 9.301) 11.692 4.306 ( -0.703 0.000 5.297) 5.344 4.375 ( -2.226 0.000 -6.561) 6.929 4.443 ( -6.746 0.000 -4.245) 7.970 4.567 ( -9.914 0.000 2.240) 10.164 4.842 ( 4.302 0.000 -12.346) 13.074 4.854 ( -1.546 0.000 -2.024) 2.547 4.929 ( 5.997 0.000 5.516) 8.149 4.964 ( -4.217 0.000 3.026) 5.191 5.086 ( 2.170 0.000 -6.688) 7.031 5.137 ( 7.724 0.000 -4.975) 9.188 5.190 ( -6.582 0.000 -3.903) 7.652 5.334 ( 0.540 0.000 2.273) 2.337 5.340 ( -6.575 0.000 8.225) 10.530 5.391 ( 1.756 0.000 -6.486) 6.719 5.396 ( -5.464 0.000 2.035) 5.830 5.429 ( -2.968 0.000 0.296) 2.982 5.463 ( 5.122 0.000 1.627) 5.375 5.550 ( -2.726 0.000 -4.532) 5.288 5.577 ( 4.060 0.000 4.579) 6.120 5.712 ( -1.533 0.000 7.009) 7.174 5.780 ( 0.024 0.000 -6.712) 6.712 5.895 ( 2.524 0.000 2.047) 3.249 5.920 ( -0.925 0.000 -10.359) 10.400 5.922 ( 4.162 0.000 7.151) 8.274 5.983 ( -3.978 0.000 6.914) 7.976 6.063 ( -4.357 0.000 -2.958) 5.266 6.087 ( -3.066 0.000 0.775) 3.163 6.161 ( -12.795 0.000 4.265) 13.487 6.186 ( -1.169 0.000 0.816) 1.425 6.363 ( 6.258 0.000 2.189) 6.630 6.387 ( 0.620 0.000 -0.391) 0.733 6.446 ( 8.159 0.000 -2.294) 8.476 6.602 ( 4.891 0.000 6.811) 8.385 6.663 ( 3.635 0.000 -0.874) 3.738 6.763 ( -7.535 0.000 10.339) 12.794 6.769 ( -0.689 0.000 -6.883) 6.918 6.889 ( 1.591 0.000 -1.215) 2.002 6.993 ( 4.294 0.000 -0.491) 4.322 7.065 ( 4.820 0.000 5.464) 7.286 7.115 ( -3.600 0.000 -4.749) 5.960 7.235 ( -1.511 0.000 -3.653) 3.953 7.304 ( -0.053 0.000 -7.781) 7.781 7.312 ( -2.530 0.000 0.688) 2.622 7.451 ( -15.359 0.000 3.162) 15.681 7.496 ( -4.902 0.000 4.413) 6.595 7.613 ( -3.983 0.000 -2.714) 4.820 7.626 ( -8.059 0.000 -6.675) 10.464 7.792 ( 6.755 0.000 7.124) 9.818 7.795 ( -2.850 0.000 5.608) 6.290 7.877 ( 13.148 0.000 7.167) 14.974 7.907 ( 7.209 0.000 0.677) 7.240 7.968 ( -4.959 0.000 -1.267) 5.118 7.986 ( 13.531 0.000 3.145) 13.892 8.092 ( 3.902 0.000 -3.091) 4.978 8.209 ( -11.381 0.000 3.700) 11.967 8.257 ( 1.227 0.000 0.828) 1.480 8.441 ( 1.856 0.000 1.362) 2.302 8.506 ( 16.096 0.000 -4.754) 16.783 8.539 ( 4.482 0.000 1.219) 4.645 8.616 ( 5.737 0.000 2.583) 6.292 8.624 ( 14.494 0.000 4.211) 15.093 8.668 ( 5.275 0.000 0.095) 5.276 8.758 ( -0.470 0.000 2.690) 2.731 8.797 ( 2.159 0.000 -0.187) 2.167 8.880 ( 9.451 0.000 3.465) 10.066 8.923 ( 6.759 0.000 -7.335) 9.974 9.023 ( -1.399 0.000 -0.967) 1.700 9.120 ( -1.228 0.000 -6.938) 7.046 9.181 ( 2.715 0.000 -0.787) 2.826 9.315 ( 4.132 0.000 5.963) 7.255 9.418 ( 4.527 0.000 1.174) 4.677 9.487 ( -0.408 0.000 2.714) 2.744 9.494 ( 0.759 0.000 0.721) 1.047 9.586 ( -2.859 0.000 -0.756) 2.957 9.657 ( 5.095 0.000 0.543) 5.123 9.676 ( -0.542 0.000 -4.252) 4.287 9.825 ( 3.408 0.000 0.558) 3.454 9.894 ( 0.012 0.000 -7.300) 7.300 10.045 ( -8.466 0.000 -14.282) 16.603 10.082 ( -6.060 0.000 7.237) 9.439 10.156 ( 0.389 0.000 -3.098) 3.122 10.284 ( 2.170 0.000 0.280) 2.188 10.511 ( -1.549 0.000 4.186) 4.464 10.837 ( -4.147 0.000 -1.582) 4.438 11.026 ( -11.598 0.000 3.553) 12.130 11.030 ( -10.527 0.000 -5.992) 12.113 11.183 ( -4.555 0.000 -4.087) 6.119 11.314 ( -1.569 0.000 3.251) 3.610 11.461 ( 5.734 0.000 -7.388) 9.352 11.466 ( 0.854 0.000 7.297) 7.346 11.489 ( -2.365 0.000 8.286) 8.617 11.725 ( -13.870 0.000 4.129) 14.471 11.786 ( -2.786 0.000 -6.054) 6.664 11.981 ( -0.362 0.000 3.255) 3.275 12.008 ( 1.925 0.000 -1.063) 2.199 12.267 ( 7.976 0.000 3.820) 8.844 12.380 ( 8.155 0.000 0.471) 8.169 12.430 ( -3.826 0.000 -2.475) 4.557 12.445 ( 4.811 0.000 -2.702) 5.518 12.582 ( 2.091 0.000 -3.479) 4.059 12.770 ( 1.125 0.000 0.770) 1.363 13.020 ( -1.518 0.000 3.188) 3.531 13.094 ( -5.352 0.000 -0.150) 5.355 13.199 ( 1.448 0.000 -2.241) 2.668 13.218 ( 3.777 0.000 -1.015) 3.911 13.244 ( 3.742 0.000 -1.221) 3.936 13.306 ( 5.182 0.000 1.191) 5.317 13.408 ( 4.178 0.000 3.033) 5.163 13.508 ( 2.445 0.000 1.101) 2.681 13.611 ( -0.038 0.000 -4.798) 4.798 13.711 ( 0.180 0.000 2.911) 2.917 13.841 ( -5.484 0.000 2.300) 5.947 13.847 ( -2.984 0.000 -3.091) 4.296 14.041 ( -1.076 0.000 0.193) 1.094 14.045 ( -1.660 0.000 -0.077) 1.662 15.195 ( 6.549 0.000 -1.406) 6.698 15.208 ( 4.534 0.000 2.411) 5.135 15.285 ( 5.525 0.000 -1.063) 5.627 15.402 ( 16.602 0.000 11.082) 19.961 15.554 ( -1.204 0.000 -0.335) 1.250 15.589 ( 1.109 0.000 0.244) 1.136 15.831 ( -2.476 0.000 0.113) 2.479 15.895 ( -0.262 0.000 0.864) 0.903 16.005 ( 5.347 0.000 2.562) 5.929 16.052 ( 8.448 0.000 -2.744) 8.883 17.569 ( -52.315 0.000 -19.633) 55.878 17.845 ( -30.437 0.000 -0.227) 30.438 18.317 ( -5.673 0.000 2.178) 6.077 18.351 ( 0.198 0.000 -2.936) 2.943 18.491 ( -2.307 0.000 4.479) 5.038 18.509 ( 8.741 0.000 -4.659) 9.905 18.707 ( -2.933 0.000 -0.926) 3.075 18.747 ( 0.725 0.000 -0.771) 1.058 18.766 ( -0.057 0.000 -0.755) 0.757 18.778 ( -0.310 0.000 -0.499) 0.587 19.017 ( -0.201 0.000 -0.426) 0.471 19.091 ( 1.738 0.000 1.284) 2.160 19.319 ( -3.620 0.000 1.403) 3.883 19.339 ( -4.070 0.000 -0.215) 4.076 21.221 ( 16.663 0.000 -8.530) 18.720 21.404 ( 10.435 0.000 4.368) 11.312 21.488 ( 13.262 0.000 9.593) 16.368 21.631 ( 5.192 0.000 4.536) 6.894 23.321 ( -1.862 0.000 -2.126) 2.826 23.331 ( -0.542 0.000 0.604) 0.812 23.538 ( -2.309 0.000 1.752) 2.898 23.556 ( -0.670 0.000 -1.681) 1.810 23.692 ( 2.200 0.000 -0.898) 2.376 23.708 ( 5.159 0.000 0.932) 5.242 23.980 ( -5.354 0.000 -3.663) 6.487 24.031 ( -2.767 0.000 -0.640) 2.840 ======================= Grid point 120 (53/70) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 27.582 0.000 -13.163) 30.562 1.267 ( 31.604 0.000 -10.164) 33.198 1.851 ( -2.638 0.000 3.797) 4.624 2.009 ( -8.838 0.000 3.795) 9.618 2.075 ( -2.662 0.000 -0.925) 2.818 2.133 ( 34.650 0.000 -9.017) 35.805 2.164 ( 0.897 0.000 13.658) 13.687 2.267 ( -7.206 0.000 -3.042) 7.822 2.414 ( -7.029 0.000 -1.893) 7.280 2.447 ( -6.620 0.000 -2.725) 7.159 2.753 ( 1.509 0.000 -9.300) 9.421 2.831 ( 1.271 0.000 0.124) 1.277 2.912 ( -1.171 0.000 -2.015) 2.331 2.979 ( 6.182 0.000 2.519) 6.675 3.090 ( -0.581 0.000 2.786) 2.846 3.195 ( -1.135 0.000 -0.443) 1.218 3.295 ( -5.451 0.000 8.137) 9.794 3.313 ( -1.403 0.000 -6.289) 6.443 3.474 ( -1.549 0.000 1.929) 2.474 3.536 ( 1.554 0.000 3.835) 4.137 3.696 ( -2.331 0.000 0.244) 2.344 3.724 ( 3.170 0.000 -3.874) 5.006 3.764 ( 2.451 0.000 3.321) 4.128 3.773 ( -3.962 0.000 10.433) 11.160 3.838 ( 3.856 0.000 -1.575) 4.165 3.958 ( -7.560 0.000 -5.652) 9.439 4.104 ( 2.918 0.000 -0.281) 2.931 4.157 ( 0.252 0.000 -0.001) 0.252 4.218 ( 3.410 0.000 8.433) 9.096 4.284 ( -5.855 0.000 0.549) 5.881 4.411 ( -13.407 0.000 5.770) 14.595 4.456 ( 2.619 0.000 8.790) 9.172 4.572 ( 7.015 0.000 6.506) 9.567 4.765 ( -2.603 0.000 -8.605) 8.990 4.835 ( -10.064 0.000 -11.499) 15.281 4.860 ( -11.898 0.000 4.919) 12.875 4.880 ( 6.961 0.000 -3.725) 7.895 4.956 ( -1.151 0.000 -4.769) 4.906 5.164 ( -5.389 0.000 -3.611) 6.487 5.199 ( 4.501 0.000 3.419) 5.652 5.220 ( 7.750 0.000 -4.452) 8.938 5.277 ( -6.330 0.000 2.423) 6.778 5.385 ( 1.502 0.000 -3.298) 3.624 5.421 ( 0.081 0.000 6.347) 6.347 5.430 ( 3.405 0.000 -3.628) 4.976 5.482 ( -2.752 0.000 -0.800) 2.866 5.532 ( 3.558 0.000 -0.979) 3.690 5.606 ( -12.142 0.000 -1.907) 12.291 5.708 ( 5.487 0.000 -6.677) 8.642 5.721 ( 0.006 0.000 5.245) 5.245 5.880 ( -3.701 0.000 -8.745) 9.496 5.883 ( -8.927 0.000 10.590) 13.850 5.941 ( -4.716 0.000 -1.174) 4.860 5.970 ( 9.006 0.000 -5.620) 10.616 6.001 ( -2.220 0.000 7.417) 7.742 6.099 ( 3.520 0.000 11.471) 11.999 6.150 ( 0.889 0.000 9.239) 9.282 6.344 ( 6.774 0.000 -6.552) 9.424 6.386 ( -3.777 0.000 10.337) 11.005 6.525 ( 3.296 0.000 6.365) 7.167 6.534 ( -10.743 0.000 -2.649) 11.064 6.602 ( 5.972 0.000 -9.412) 11.147 6.678 ( 7.186 0.000 -6.144) 9.455 6.710 ( 4.003 0.000 -2.769) 4.868 6.783 ( 3.559 0.000 6.618) 7.514 6.873 ( -1.819 0.000 -2.728) 3.279 6.951 ( -6.822 0.000 -1.485) 6.982 7.003 ( -1.975 0.000 -6.095) 6.407 7.132 ( -5.723 0.000 -7.891) 9.748 7.160 ( -3.433 0.000 -10.250) 10.809 7.212 ( 3.443 0.000 5.755) 6.706 7.270 ( -6.213 0.000 7.982) 10.115 7.333 ( -3.314 0.000 4.696) 5.748 7.344 ( -6.459 0.000 -1.069) 6.546 7.486 ( 3.548 0.000 -11.385) 11.925 7.500 ( -8.147 0.000 0.720) 8.179 7.713 ( -7.111 0.000 -0.641) 7.140 7.836 ( -7.100 0.000 -1.556) 7.268 7.877 ( 0.474 0.000 5.604) 5.624 7.967 ( 1.521 0.000 -3.052) 3.410 8.078 ( 10.304 0.000 2.020) 10.501 8.115 ( -1.660 0.000 4.428) 4.729 8.241 ( 9.938 0.000 0.446) 9.948 8.246 ( -1.725 0.000 8.112) 8.294 8.345 ( 0.923 0.000 3.123) 3.257 8.428 ( -5.910 0.000 6.894) 9.080 8.584 ( -6.968 0.000 -2.729) 7.483 8.646 ( 7.846 0.000 -6.095) 9.935 8.649 ( 8.804 0.000 -8.264) 12.075 8.749 ( 3.596 0.000 -5.761) 6.791 8.764 ( 2.625 0.000 5.773) 6.342 8.913 ( 1.067 0.000 2.896) 3.086 8.953 ( 14.708 0.000 -0.015) 14.708 9.009 ( 4.865 0.000 -4.126) 6.379 9.023 ( 4.100 0.000 3.329) 5.281 9.061 ( 5.546 0.000 1.767) 5.821 9.154 ( 7.103 0.000 3.608) 7.967 9.175 ( -0.262 0.000 -3.178) 3.189 9.367 ( -0.678 0.000 -0.172) 0.699 9.443 ( 1.644 0.000 -3.914) 4.245 9.544 ( 2.469 0.000 -1.427) 2.852 9.552 ( 1.520 0.000 2.715) 3.111 9.574 ( 4.589 0.000 5.603) 7.242 9.741 ( -0.116 0.000 -7.235) 7.236 9.749 ( 2.416 0.000 0.867) 2.567 9.810 ( 6.640 0.000 3.955) 7.728 9.847 ( 0.896 0.000 -4.222) 4.316 9.987 ( 4.576 0.000 5.992) 7.540 10.064 ( -4.787 0.000 6.021) 7.692 10.181 ( 2.920 0.000 1.461) 3.266 10.204 ( -3.853 0.000 -5.059) 6.359 10.418 ( -10.940 0.000 -2.953) 11.332 10.776 ( -8.399 0.000 -4.091) 9.342 10.805 ( -14.734 0.000 0.480) 14.742 10.863 ( 4.928 0.000 2.516) 5.533 11.180 ( 2.648 0.000 1.356) 2.975 11.254 ( -5.459 0.000 -1.577) 5.682 11.372 ( -12.000 0.000 -0.567) 12.013 11.415 ( -4.197 0.000 3.899) 5.729 11.580 ( 2.669 0.000 1.351) 2.991 11.634 ( -1.885 0.000 2.130) 2.845 11.683 ( -2.378 0.000 -4.670) 5.241 11.991 ( -1.244 0.000 1.120) 1.674 12.001 ( -0.664 0.000 -1.813) 1.930 12.347 ( -1.323 0.000 1.782) 2.219 12.431 ( 3.349 0.000 -4.676) 5.751 12.460 ( 6.461 0.000 2.072) 6.785 12.568 ( 6.982 0.000 -0.692) 7.017 12.667 ( 5.974 0.000 1.722) 6.218 12.732 ( -5.005 0.000 1.166) 5.138 13.038 ( -1.768 0.000 3.497) 3.919 13.074 ( 1.524 0.000 3.720) 4.020 13.176 ( -1.500 0.000 -4.781) 5.010 13.188 ( 2.090 0.000 -6.075) 6.425 13.286 ( 3.045 0.000 -1.146) 3.254 13.381 ( 3.576 0.000 2.891) 4.598 13.499 ( -0.730 0.000 -5.393) 5.442 13.551 ( 1.555 0.000 -0.082) 1.557 13.641 ( 5.633 0.000 3.161) 6.460 13.700 ( -2.596 0.000 0.296) 2.613 13.796 ( 0.475 0.000 -1.474) 1.548 13.815 ( -3.750 0.000 6.196) 7.243 14.012 ( -1.365 0.000 -0.116) 1.370 14.022 ( -1.057 0.000 -0.165) 1.070 15.292 ( 6.714 0.000 -2.326) 7.106 15.343 ( 5.153 0.000 1.803) 5.459 15.352 ( 4.997 0.000 -0.405) 5.013 15.517 ( -2.840 0.000 0.273) 2.854 15.633 ( 3.761 0.000 1.634) 4.101 15.796 ( -2.240 0.000 1.273) 2.576 15.878 ( 6.228 0.000 22.814) 23.649 15.897 ( -0.267 0.000 1.376) 1.402 16.157 ( 10.345 0.000 -8.777) 13.567 16.265 ( 17.131 0.000 9.421) 19.551 16.551 ( -27.909 0.000 -25.070) 37.515 17.266 ( -33.726 0.000 -1.463) 33.758 18.250 ( -5.807 0.000 4.454) 7.318 18.299 ( 0.270 0.000 -6.348) 6.354 18.512 ( -1.948 0.000 5.639) 5.966 18.569 ( 5.346 0.000 -6.822) 8.667 18.663 ( -0.726 0.000 0.351) 0.807 18.711 ( -1.867 0.000 -0.527) 1.940 18.785 ( 1.458 0.000 0.930) 1.729 18.816 ( 2.636 0.000 -0.751) 2.741 19.032 ( 1.376 0.000 1.351) 1.928 19.116 ( 0.673 0.000 -0.967) 1.179 19.273 ( -3.286 0.000 0.186) 3.292 19.274 ( -2.609 0.000 0.134) 2.612 21.359 ( 8.111 0.000 -4.017) 9.051 21.433 ( 2.221 0.000 -2.573) 3.399 21.767 ( 7.598 0.000 -0.984) 7.662 21.837 ( -2.247 0.000 14.638) 14.810 23.280 ( -0.445 0.000 0.003) 0.445 23.330 ( -1.211 0.000 0.513) 1.315 23.524 ( -1.200 0.000 1.126) 1.646 23.528 ( -0.290 0.000 -1.255) 1.288 23.727 ( 3.289 0.000 -0.541) 3.333 23.811 ( 4.142 0.000 0.211) 4.147 23.878 ( 0.181 0.000 -4.116) 4.120 23.972 ( -3.993 0.000 0.900) 4.093 ======================= Grid point 121 (54/70) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -18.481 0.000 1.359) 18.531 1.519 ( 18.481 0.000 -1.359) 18.531 1.709 ( -19.411 0.000 3.571) 19.737 1.709 ( 19.411 0.000 -3.571) 19.737 2.151 ( -1.726 0.000 -2.114) 2.729 2.151 ( 1.726 0.000 2.114) 2.729 2.325 ( -5.588 0.000 0.350) 5.599 2.325 ( 5.588 0.000 -0.350) 5.599 2.468 ( -9.989 0.000 -4.940) 11.144 2.468 ( 9.989 0.000 4.940) 11.144 2.846 ( 0.472 0.000 -1.396) 1.473 2.846 ( -0.472 0.000 1.396) 1.473 2.936 ( -35.433 0.000 4.724) 35.746 2.936 ( 35.433 0.000 -4.724) 35.746 3.118 ( -1.052 0.000 -1.479) 1.815 3.118 ( 1.052 0.000 1.479) 1.815 3.221 ( -3.987 0.000 -0.940) 4.096 3.221 ( 3.987 0.000 0.940) 4.096 3.486 ( -7.511 0.000 -0.053) 7.511 3.486 ( 7.511 0.000 0.053) 7.511 3.649 ( -3.543 0.000 -3.927) 5.289 3.649 ( 3.543 0.000 3.927) 5.289 3.861 ( 2.058 0.000 -8.252) 8.505 3.861 ( -2.058 0.000 8.252) 8.505 3.871 ( 0.879 0.000 -1.016) 1.343 3.871 ( -0.879 0.000 1.016) 1.343 4.148 ( -8.003 0.000 1.671) 8.175 4.148 ( 8.003 0.000 -1.671) 8.175 4.278 ( 11.860 0.000 -6.386) 13.470 4.278 ( -11.860 0.000 6.386) 13.470 4.450 ( -9.268 0.000 -4.552) 10.326 4.450 ( 9.268 0.000 4.552) 10.326 4.631 ( 0.395 0.000 -0.651) 0.761 4.631 ( -0.395 0.000 0.651) 0.761 4.750 ( 10.081 0.000 -9.956) 14.169 4.750 ( -10.081 0.000 9.956) 14.169 4.893 ( -0.333 0.000 -0.869) 0.930 4.893 ( 0.333 0.000 0.869) 0.930 5.154 ( -3.910 0.000 -0.975) 4.030 5.154 ( 3.910 0.000 0.975) 4.030 5.321 ( -6.115 0.000 1.333) 6.259 5.321 ( 6.115 0.000 -1.333) 6.259 5.366 ( -3.005 0.000 -4.537) 5.442 5.366 ( 3.005 0.000 4.537) 5.442 5.443 ( -0.310 0.000 -1.713) 1.741 5.443 ( 0.310 0.000 1.713) 1.741 5.574 ( -4.422 0.000 -9.810) 10.760 5.574 ( 4.422 0.000 9.810) 10.760 5.769 ( -8.963 0.000 -8.533) 12.376 5.769 ( 8.963 0.000 8.533) 12.376 5.804 ( 7.959 0.000 -14.335) 16.396 5.804 ( -7.959 0.000 14.335) 16.396 5.972 ( -17.279 0.000 0.472) 17.285 5.972 ( 17.279 0.000 -0.472) 17.285 6.049 ( -3.925 0.000 -0.291) 3.935 6.049 ( 3.925 0.000 0.291) 3.935 6.272 ( 0.799 0.000 -2.971) 3.076 6.272 ( -0.799 0.000 2.971) 3.076 6.472 ( -1.425 0.000 -1.800) 2.296 6.472 ( 1.425 0.000 1.800) 2.296 6.567 ( -3.700 0.000 -1.102) 3.861 6.567 ( 3.700 0.000 1.102) 3.861 6.748 ( 5.772 0.000 -2.109) 6.145 6.748 ( -5.772 0.000 2.109) 6.145 6.874 ( -6.849 0.000 -1.759) 7.072 6.874 ( 6.849 0.000 1.759) 7.072 6.884 ( 2.102 0.000 -4.044) 4.558 6.884 ( -2.103 0.000 4.044) 4.558 6.991 ( -2.457 0.000 -7.780) 8.159 6.991 ( 2.457 0.000 7.780) 8.159 7.275 ( -1.140 0.000 -0.336) 1.188 7.275 ( 1.140 0.000 0.336) 1.188 7.354 ( 3.115 0.000 -2.536) 4.016 7.354 ( -3.115 0.000 2.536) 4.016 7.429 ( 4.380 0.000 -7.754) 8.906 7.429 ( -4.380 0.000 7.754) 8.906 7.699 ( -3.766 0.000 -2.609) 4.581 7.699 ( 3.766 0.000 2.609) 4.581 7.922 ( 0.646 0.000 -4.364) 4.412 7.922 ( -0.646 0.000 4.364) 4.412 8.187 ( -2.316 0.000 -3.147) 3.907 8.187 ( 2.316 0.000 3.147) 3.907 8.306 ( -4.650 0.000 1.108) 4.780 8.306 ( 4.650 0.000 -1.108) 4.780 8.364 ( -1.892 0.000 -7.070) 7.319 8.364 ( 1.892 0.000 7.070) 7.319 8.591 ( 4.364 0.000 -16.610) 17.173 8.591 ( -4.364 0.000 16.610) 17.173 8.691 ( -6.610 0.000 2.158) 6.954 8.691 ( 6.610 0.000 -2.158) 6.954 8.880 ( -2.997 0.000 -3.957) 4.964 8.880 ( 2.997 0.000 3.957) 4.964 9.067 ( 1.193 0.000 -5.717) 5.840 9.067 ( -1.193 0.000 5.717) 5.840 9.130 ( 4.892 0.000 -1.769) 5.202 9.130 ( -4.892 0.000 1.769) 5.202 9.180 ( -4.451 0.000 -1.096) 4.584 9.180 ( 4.451 0.000 1.096) 4.584 9.391 ( 0.567 0.000 -5.697) 5.725 9.391 ( -0.567 0.000 5.697) 5.725 9.570 ( 1.712 0.000 -1.089) 2.029 9.570 ( -1.712 0.000 1.089) 2.029 9.703 ( -6.029 0.000 0.370) 6.040 9.703 ( 6.029 0.000 -0.370) 6.040 9.755 ( -3.837 0.000 -5.985) 7.109 9.755 ( 3.837 0.000 5.985) 7.109 10.037 ( -6.092 0.000 0.793) 6.143 10.037 ( 6.092 0.000 -0.793) 6.143 10.124 ( -9.752 0.000 -8.315) 12.816 10.124 ( 9.752 0.000 8.315) 12.816 10.202 ( 6.115 0.000 -3.321) 6.959 10.202 ( -6.115 0.000 3.321) 6.959 10.661 ( -0.196 0.000 -0.822) 0.845 10.661 ( 0.196 0.000 0.822) 0.845 11.071 ( -13.215 0.000 -2.977) 13.546 11.071 ( 13.215 0.000 2.977) 13.546 11.211 ( -2.083 0.000 -1.383) 2.500 11.211 ( 2.083 0.000 1.383) 2.500 11.515 ( -0.017 0.000 -13.898) 13.898 11.515 ( 0.017 0.000 13.898) 13.898 11.641 ( 1.548 0.000 -1.663) 2.272 11.641 ( -1.548 0.000 1.663) 2.272 11.980 ( 0.267 0.000 -0.271) 0.381 11.980 ( -0.267 0.000 0.271) 0.381 12.401 ( 1.288 0.000 -7.597) 7.705 12.401 ( -1.288 0.000 7.597) 7.705 12.559 ( -5.103 0.000 -0.008) 5.103 12.559 ( 5.103 0.000 0.008) 5.103 12.724 ( 0.027 0.000 -1.495) 1.495 12.724 ( -0.027 0.000 1.495) 1.495 13.107 ( -0.564 0.000 -5.168) 5.199 13.107 ( 0.564 0.000 5.168) 5.199 13.127 ( 0.034 0.000 -0.394) 0.395 13.127 ( -0.034 0.000 0.394) 0.395 13.355 ( -3.538 0.000 -3.673) 5.099 13.355 ( 3.538 0.000 3.673) 5.099 13.521 ( -2.852 0.000 -3.156) 4.254 13.521 ( 2.852 0.000 3.156) 4.254 13.692 ( 0.740 0.000 -2.102) 2.229 13.692 ( -0.740 0.000 2.102) 2.229 13.811 ( 3.220 0.000 -2.916) 4.344 13.811 ( -3.220 0.000 2.916) 4.344 14.005 ( -0.298 0.000 -0.409) 0.506 14.005 ( 0.298 0.000 0.409) 0.506 15.354 ( 2.642 0.000 -1.340) 2.962 15.354 ( -2.642 0.000 1.340) 2.962 15.461 ( -4.436 0.000 0.171) 4.439 15.461 ( 4.436 0.000 -0.171) 4.439 15.751 ( -4.815 0.000 -0.948) 4.907 15.751 ( 4.815 0.000 0.948) 4.907 15.986 ( -5.844 0.000 -9.303) 10.986 15.986 ( 5.844 0.000 9.303) 10.986 16.163 ( 7.900 0.000 -15.419) 17.325 16.163 ( -7.900 0.000 15.419) 17.325 16.718 ( -24.273 0.000 -6.948) 25.248 16.718 ( 24.273 0.000 6.948) 25.248 18.241 ( 2.741 0.000 -6.846) 7.374 18.241 ( -2.741 0.000 6.846) 7.374 18.549 ( 2.241 0.000 -6.572) 6.944 18.549 ( -2.241 0.000 6.572) 6.944 18.679 ( -1.239 0.000 -0.535) 1.349 18.679 ( 1.239 0.000 0.535) 1.349 18.821 ( -0.504 0.000 -1.416) 1.503 18.821 ( 0.504 0.000 1.416) 1.503 19.085 ( -1.630 0.000 -2.471) 2.961 19.085 ( 1.630 0.000 2.471) 2.961 19.246 ( 0.079 0.000 -0.553) 0.558 19.246 ( -0.079 0.000 0.553) 0.558 21.422 ( -1.860 0.000 -0.386) 1.900 21.422 ( 1.860 0.000 0.386) 1.900 21.852 ( 6.935 0.000 -5.912) 9.113 21.852 ( -6.935 0.000 5.912) 9.113 23.299 ( -1.651 0.000 -0.697) 1.792 23.299 ( 1.651 0.000 0.697) 1.792 23.520 ( 0.625 0.000 -0.857) 1.061 23.520 ( -0.625 0.000 0.857) 1.061 23.790 ( -3.230 0.000 -0.991) 3.379 23.790 ( 3.230 0.000 0.991) 3.379 23.914 ( -4.619 0.000 1.456) 4.843 23.914 ( 4.619 0.000 -1.456) 4.843 ======================= Grid point 125 (55/70) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -1.025 12.165 -20.566) 23.917 1.371 ( 1.025 12.165 20.566) 23.917 1.480 ( 0.752 19.061 -19.196) 27.062 1.480 ( -0.752 19.061 19.196) 27.062 2.288 ( -2.284 17.441 -31.105) 35.734 2.288 ( 2.284 17.441 31.105) 35.734 2.456 ( 1.349 1.779 -3.171) 3.878 2.456 ( -1.349 1.779 3.171) 3.878 2.583 ( -6.095 1.525 -2.775) 6.869 2.583 ( 6.095 1.525 2.775) 6.869 2.774 ( 6.435 4.332 -5.088) 9.277 2.774 ( -6.435 4.332 5.088) 9.277 2.944 ( 2.555 1.242 -2.420) 3.732 2.944 ( -2.555 1.242 2.420) 3.732 3.103 ( -0.070 2.101 -3.538) 4.116 3.103 ( 0.070 2.101 3.538) 4.116 3.313 ( -2.329 0.628 -3.178) 3.990 3.313 ( 2.329 0.628 3.178) 3.990 3.389 ( -0.842 -0.615 -1.004) 1.448 3.389 ( 0.842 -0.615 1.004) 1.448 3.609 ( -0.548 -4.795 -4.838) 6.833 3.609 ( 0.548 -4.795 4.838) 6.833 3.745 ( 2.232 -5.859 -4.680) 7.824 3.745 ( -2.232 -5.859 4.680) 7.824 3.877 ( 0.473 -0.358 -13.678) 13.691 3.877 ( -0.473 -0.358 13.678) 13.691 3.949 ( -3.273 -0.257 -0.774) 3.373 3.949 ( 3.273 -0.257 0.774) 3.373 4.133 ( -2.957 -2.819 -3.191) 5.184 4.133 ( 2.957 -2.819 3.191) 5.184 4.490 ( -1.394 -7.960 -3.764) 8.915 4.490 ( 1.394 -7.960 3.764) 8.915 4.617 ( 0.611 -7.423 -3.909) 8.412 4.617 ( -0.611 -7.423 3.909) 8.412 4.863 ( -5.665 -3.093 -3.843) 7.512 4.863 ( 5.665 -3.093 3.843) 7.512 4.952 ( -3.758 -9.678 -4.758) 11.420 4.952 ( 3.758 -9.678 4.758) 11.420 5.054 ( -6.703 -3.642 -2.532) 8.038 5.054 ( 6.703 -3.642 2.532) 8.038 5.216 ( -1.488 -3.302 -5.102) 6.257 5.216 ( 1.488 -3.302 5.102) 6.257 5.378 ( 2.954 -0.479 -5.820) 6.544 5.378 ( -2.954 -0.479 5.820) 6.544 5.524 ( -0.980 -6.441 -1.815) 6.763 5.524 ( 0.980 -6.441 1.815) 6.763 5.603 ( -0.430 -1.674 -7.822) 8.010 5.603 ( 0.430 -1.674 7.822) 8.010 5.750 ( -6.472 -5.326 -0.146) 8.383 5.750 ( 6.472 -5.326 0.146) 8.383 5.834 ( -6.705 2.924 -3.835) 8.260 5.834 ( 6.705 2.924 3.835) 8.260 5.952 ( -1.902 -1.928 -4.727) 5.448 5.952 ( 1.902 -1.928 4.727) 5.448 6.125 ( 3.402 -0.416 -3.725) 5.062 6.125 ( -3.402 -0.416 3.725) 5.062 6.194 ( -1.975 4.353 -4.888) 6.837 6.194 ( 1.975 4.353 4.888) 6.837 6.480 ( -0.098 5.833 -3.947) 7.044 6.480 ( 0.098 5.833 3.947) 7.044 6.562 ( -0.501 2.657 -5.132) 5.801 6.562 ( 0.501 2.657 5.132) 5.801 6.684 ( -3.952 6.020 -6.480) 9.687 6.684 ( 3.952 6.020 6.480) 9.687 6.953 ( 5.311 6.246 -8.328) 11.687 6.953 ( -5.311 6.246 8.328) 11.687 7.006 ( -7.750 0.682 -1.203) 7.872 7.006 ( 7.750 0.682 1.203) 7.872 7.124 ( -1.174 -6.848 -1.306) 7.070 7.124 ( 1.174 -6.848 1.306) 7.070 7.276 ( -2.775 -1.494 -6.621) 7.333 7.276 ( 2.775 -1.494 6.621) 7.333 7.499 ( -5.235 -6.940 -3.360) 9.320 7.499 ( 5.235 -6.940 3.360) 9.320 7.617 ( -1.226 -3.129 -4.102) 5.303 7.617 ( 1.226 -3.129 4.102) 5.303 7.695 ( -1.292 -0.670 -1.093) 1.820 7.695 ( 1.292 -0.670 1.093) 1.820 7.856 ( 3.980 6.785 -1.780) 8.065 7.856 ( -3.980 6.785 1.780) 8.065 7.939 ( -3.186 -3.067 -4.838) 6.555 7.939 ( 3.186 -3.067 4.838) 6.555 8.107 ( 2.378 -5.731 -7.398) 9.656 8.107 ( -2.378 -5.731 7.398) 9.656 8.348 ( 0.818 -0.381 -2.714) 2.860 8.348 ( -0.818 -0.381 2.714) 2.860 8.380 ( 0.370 4.950 -8.146) 9.539 8.380 ( -0.370 4.950 8.146) 9.539 8.609 ( 3.309 0.645 -6.295) 7.141 8.609 ( -3.309 0.645 6.295) 7.141 8.743 ( -1.816 7.921 -4.362) 9.223 8.743 ( 1.816 7.921 4.362) 9.223 8.925 ( -4.483 9.463 -1.243) 10.544 8.925 ( 4.483 9.463 1.243) 10.544 9.094 ( -0.091 3.071 -4.081) 5.108 9.094 ( 0.091 3.071 4.081) 5.108 9.134 ( -2.004 0.825 -4.884) 5.343 9.134 ( 2.004 0.825 4.884) 5.343 9.279 ( -5.771 3.518 -3.837) 7.772 9.279 ( 5.771 3.518 3.837) 7.772 9.491 ( 1.840 0.513 -1.652) 2.525 9.491 ( -1.840 0.513 1.652) 2.525 9.650 ( 0.485 3.652 -2.889) 4.682 9.650 ( -0.485 3.652 2.889) 4.682 9.856 ( -0.644 9.720 -1.368) 9.837 9.856 ( 0.644 9.720 1.368) 9.837 10.069 ( -2.863 0.456 -5.945) 6.614 10.069 ( 2.863 0.456 5.945) 6.614 10.207 ( -0.332 3.963 -6.266) 7.421 10.207 ( 0.332 3.963 6.266) 7.421 10.427 ( -5.626 5.260 -2.536) 8.109 10.427 ( 5.626 5.260 2.536) 8.109 10.986 ( -4.139 -1.862 -6.571) 7.986 10.986 ( 4.139 -1.862 6.571) 7.986 11.229 ( -8.048 -5.693 -5.553) 11.315 11.229 ( 8.048 -5.693 5.553) 11.315 11.310 ( -0.741 -3.215 -4.832) 5.851 11.310 ( 0.741 -3.215 4.832) 5.851 11.446 ( -6.450 5.742 -0.211) 8.638 11.446 ( 6.450 5.742 0.211) 8.638 11.801 ( -3.620 -6.244 -5.724) 9.211 11.801 ( 3.620 -6.244 5.724) 9.211 11.961 ( 1.848 -1.300 -0.712) 2.369 11.961 ( -1.848 -1.300 0.712) 2.369 12.132 ( -0.236 -6.379 -1.938) 6.671 12.132 ( 0.236 -6.379 1.938) 6.671 12.367 ( 0.629 -6.906 -2.680) 7.435 12.367 ( -0.629 -6.906 2.680) 7.435 12.732 ( -2.849 -0.405 -2.468) 3.791 12.732 ( 2.849 -0.405 2.468) 3.791 12.920 ( -1.656 -10.494 -0.336) 10.629 12.920 ( 1.656 -10.494 0.336) 10.629 13.217 ( -0.396 8.690 -4.476) 9.783 13.217 ( 0.396 8.690 4.476) 9.783 13.431 ( -3.348 12.005 0.115) 12.464 13.431 ( 3.348 12.005 -0.115) 12.464 13.568 ( 1.109 8.460 -4.009) 9.427 13.568 ( -1.109 8.460 4.009) 9.427 13.702 ( 0.123 4.724 -4.361) 6.431 13.702 ( -0.123 4.724 4.361) 6.431 13.917 ( 1.085 2.409 -0.889) 2.787 13.917 ( -1.085 2.409 0.889) 2.787 14.065 ( 0.631 0.894 -0.851) 1.387 14.065 ( -0.631 0.894 0.851) 1.387 15.159 ( -0.584 0.899 -2.127) 2.382 15.159 ( 0.584 0.899 2.127) 2.382 15.226 ( -0.105 0.300 -1.542) 1.574 15.226 ( 0.105 0.300 1.542) 1.574 15.581 ( -0.177 0.860 -0.616) 1.073 15.581 ( 0.177 0.860 0.616) 1.073 15.856 ( -3.805 -2.313 -0.208) 4.458 15.856 ( 3.805 -2.313 0.208) 4.458 15.952 ( 0.969 -1.021 -3.720) 3.978 15.952 ( -0.969 -1.021 3.720) 3.978 17.816 ( -7.691 -38.805 -8.055) 40.372 17.816 ( 7.691 -38.805 8.055) 40.372 18.312 ( -9.956 0.536 0.704) 9.995 18.312 ( 9.956 0.536 -0.704) 9.995 18.467 ( -3.390 2.244 -1.124) 4.218 18.467 ( 3.390 2.244 1.124) 4.218 18.641 ( -2.599 -3.145 -2.819) 4.959 18.641 ( 2.599 -3.145 2.819) 4.959 18.747 ( -0.119 0.471 -1.182) 1.278 18.747 ( 0.119 0.471 1.182) 1.278 19.067 ( -0.767 2.109 -1.529) 2.716 19.067 ( 0.767 2.109 1.529) 2.716 19.320 ( -2.940 -3.408 0.629) 4.545 19.320 ( 2.940 -3.408 -0.629) 4.545 21.392 ( 4.161 12.066 -8.522) 15.347 21.392 ( -4.161 12.066 8.522) 15.347 21.560 ( 1.272 9.778 -8.400) 12.953 21.560 ( -1.272 9.778 8.400) 12.953 23.353 ( -0.890 0.818 -1.712) 2.096 23.353 ( 0.890 0.818 1.712) 2.096 23.552 ( 0.483 -0.781 -1.206) 1.515 23.552 ( -0.483 -0.781 1.206) 1.515 23.658 ( -0.920 -0.852 -1.013) 1.611 23.658 ( 0.920 -0.852 1.013) 1.611 24.003 ( -1.157 -4.658 -1.148) 4.935 24.003 ( 1.157 -4.658 1.148) 4.935 ======================= Grid point 127 (56/70) ======================= q-point: ( 0.17 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 12.444 15.603 -20.068) 28.303 1.333 ( 14.058 22.951 -19.075) 32.989 1.711 ( 4.280 7.975 22.421) 24.179 1.835 ( 8.082 13.358 20.774) 25.987 2.049 ( 18.877 23.622 -30.536) 42.975 2.343 ( -6.318 0.967 -6.096) 8.833 2.365 ( -11.028 5.363 -0.148) 12.264 2.474 ( -4.996 5.015 0.494) 7.096 2.561 ( -1.615 -5.448 -0.921) 5.756 2.655 ( -3.990 2.274 -3.463) 5.751 2.669 ( -3.190 6.198 -0.425) 6.984 2.846 ( 5.250 0.683 5.061) 7.324 2.902 ( -1.935 3.089 1.972) 4.144 2.971 ( 4.704 4.759 -3.558) 7.578 3.088 ( -3.552 1.522 2.844) 4.798 3.191 ( -0.924 2.360 9.416) 9.751 3.266 ( 2.536 3.267 -3.563) 5.459 3.347 ( -2.343 0.108 1.081) 2.583 3.419 ( 5.689 -0.721 2.360) 6.201 3.492 ( 2.264 -3.806 4.036) 5.991 3.499 ( 1.554 -1.244 2.799) 3.434 3.651 ( -3.385 -4.315 1.286) 5.634 3.680 ( -5.857 -6.462 2.085) 8.967 3.762 ( 4.751 -4.341 -2.110) 6.773 3.827 ( 0.284 -4.078 -4.398) 6.004 3.931 ( -0.683 -0.710 5.217) 5.309 3.975 ( -4.486 -5.614 0.307) 7.193 4.079 ( 0.217 -5.783 3.673) 6.855 4.190 ( 9.527 -5.113 9.303) 14.264 4.203 ( -1.394 -1.721 7.114) 7.451 4.341 ( -2.715 -3.930 -3.713) 6.050 4.493 ( -0.714 0.069 -3.334) 3.411 4.552 ( -6.835 -2.523 -0.227) 7.289 4.599 ( -0.208 -9.671 -4.358) 10.610 4.799 ( 0.922 -12.641 1.512) 12.764 4.883 ( -2.909 -3.876 -3.775) 6.143 4.923 ( 2.764 -4.191 0.465) 5.042 4.990 ( 4.818 -9.770 -3.747) 11.519 5.079 ( 0.356 -4.780 0.172) 4.796 5.149 ( 1.551 -3.097 -3.922) 5.232 5.170 ( -3.086 -6.814 1.563) 7.642 5.253 ( 3.897 -1.201 -2.491) 4.779 5.380 ( -2.365 -9.674 -0.650) 9.980 5.392 ( 5.901 -2.353 -4.074) 7.547 5.497 ( 0.716 1.359 0.694) 1.685 5.514 ( 1.287 4.176 2.512) 5.040 5.562 ( -6.811 5.272 2.379) 8.936 5.617 ( 3.254 -0.390 -0.402) 3.302 5.705 ( -2.771 -6.751 1.116) 7.382 5.780 ( -4.353 2.469 -3.546) 6.134 5.843 ( -0.427 0.774 2.747) 2.886 5.889 ( 4.343 -4.854 1.388) 6.659 5.949 ( -6.116 -5.175 1.517) 8.154 5.981 ( -4.059 -1.304 -2.347) 4.867 6.050 ( -0.645 1.149 0.979) 1.642 6.136 ( 6.480 2.784 8.380) 10.953 6.185 ( -4.321 1.506 1.210) 4.734 6.227 ( -5.684 1.451 3.513) 6.837 6.314 ( -2.245 2.252 -8.969) 9.516 6.465 ( -3.759 0.518 5.703) 6.850 6.503 ( -0.235 4.204 0.305) 4.221 6.543 ( 1.518 5.651 -3.475) 6.806 6.765 ( 0.012 -2.610 9.651) 9.997 6.815 ( -4.215 -3.824 -6.393) 8.559 6.870 ( 3.617 2.890 7.379) 8.711 6.931 ( -3.507 2.148 0.516) 4.145 6.992 ( 4.756 9.109 -5.550) 11.679 7.063 ( 2.635 -0.920 -2.199) 3.553 7.073 ( -1.535 -3.679 -2.584) 4.751 7.193 ( -0.846 -0.985 2.652) 2.953 7.232 ( 2.654 2.568 -4.508) 5.828 7.337 ( -9.072 -6.168 -0.582) 10.985 7.434 ( -4.799 -6.428 -3.239) 8.651 7.504 ( 1.228 -3.502 2.647) 4.558 7.588 ( -5.489 4.192 -5.213) 8.653 7.630 ( 1.333 -3.310 -5.612) 6.650 7.723 ( 5.601 -7.450 8.481) 12.602 7.761 ( 5.146 0.240 1.562) 5.384 7.829 ( 3.788 -0.142 7.115) 8.062 7.857 ( -1.384 4.360 2.149) 5.054 7.936 ( 0.186 -0.871 3.310) 3.428 7.990 ( 2.496 -4.700 -2.219) 5.766 8.105 ( -3.889 -5.819 0.181) 7.001 8.169 ( 5.535 1.996 2.048) 6.230 8.268 ( -1.587 4.093 -0.083) 4.391 8.342 ( 0.843 0.257 -1.079) 1.393 8.502 ( 11.769 -1.154 4.245) 12.564 8.537 ( 7.490 -5.927 -2.801) 9.953 8.610 ( 4.014 0.047 2.512) 4.735 8.647 ( -0.462 0.018 2.206) 2.254 8.736 ( 3.127 6.866 2.712) 8.017 8.808 ( 0.400 7.812 0.639) 7.848 8.941 ( 5.559 7.234 1.106) 9.190 9.008 ( 2.783 2.963 -1.970) 4.518 9.038 ( 2.234 6.290 -4.823) 8.235 9.071 ( 1.426 9.237 -2.549) 9.688 9.136 ( 0.350 3.807 -0.536) 3.860 9.214 ( 1.423 -1.695 2.077) 3.035 9.235 ( 4.795 1.609 0.654) 5.100 9.402 ( 4.304 1.689 -1.568) 4.882 9.510 ( 3.086 0.592 -0.189) 3.148 9.550 ( 5.609 3.939 2.773) 7.393 9.605 ( -2.057 2.131 -2.920) 4.159 9.703 ( 2.644 5.135 4.154) 7.114 9.766 ( -2.521 9.107 -6.794) 11.638 9.863 ( 0.825 3.251 -3.028) 4.519 9.954 ( 1.965 6.469 -2.154) 7.095 9.999 ( -4.027 2.784 -7.171) 8.683 10.233 ( -1.334 5.461 4.509) 7.206 10.292 ( -4.767 7.434 5.399) 10.351 10.356 ( 1.138 7.642 -1.554) 7.882 10.525 ( 1.900 3.324 0.006) 3.828 10.825 ( -5.525 -2.140 1.445) 6.099 10.927 ( -10.484 -7.310 -3.869) 13.354 11.072 ( -8.304 2.502 -0.203) 8.675 11.183 ( -2.691 0.394 -5.516) 6.150 11.317 ( -2.729 -1.127 -2.630) 3.954 11.417 ( 3.626 -4.024 4.850) 7.271 11.422 ( -1.139 -1.773 7.721) 8.004 11.518 ( 1.458 2.485 -2.151) 3.596 11.643 ( -6.160 -6.001 -4.111) 9.532 11.796 ( -9.132 -0.661 1.524) 9.281 11.894 ( -0.353 -6.423 4.731) 7.985 12.030 ( 2.399 0.066 -2.298) 3.323 12.179 ( 4.673 -5.130 0.454) 6.954 12.248 ( 8.370 -9.193 0.863) 12.463 12.393 ( 5.215 -4.132 -1.291) 6.778 12.430 ( 4.254 -7.832 3.314) 9.509 12.615 ( -7.041 -0.200 -1.672) 7.240 12.768 ( -2.864 -0.262 -0.468) 2.914 12.875 ( -0.400 -9.897 2.332) 10.176 12.932 ( -1.386 -12.070 -0.530) 12.161 13.212 ( 2.820 4.900 -0.588) 5.684 13.266 ( -1.837 8.505 3.416) 9.348 13.422 ( 2.101 8.494 -1.500) 8.878 13.518 ( 1.313 13.311 -3.186) 13.750 13.578 ( 5.566 10.692 3.873) 12.661 13.607 ( 1.237 7.353 3.188) 8.109 13.645 ( -0.752 4.909 -3.452) 6.048 13.744 ( -0.289 4.312 3.286) 5.429 13.873 ( -3.949 4.088 -1.048) 5.780 13.903 ( -1.054 4.486 1.036) 4.723 14.051 ( -1.377 1.038 0.843) 1.920 14.054 ( -1.302 0.575 -0.917) 1.692 15.190 ( 5.112 -0.728 -0.204) 5.168 15.217 ( 3.739 0.879 0.885) 3.942 15.275 ( 5.544 -1.233 -0.412) 5.695 15.348 ( 11.000 -3.364 4.210) 12.249 15.562 ( -1.213 0.742 -0.544) 1.523 15.603 ( 1.359 1.000 2.222) 2.790 15.812 ( -1.939 -1.636 0.719) 2.637 15.917 ( 2.058 0.578 0.112) 2.141 15.975 ( 5.620 -4.702 -1.925) 7.576 16.017 ( 4.646 -1.009 4.302) 6.412 17.289 ( -31.980 -21.809 -14.597) 41.369 17.691 ( -31.634 -24.983 -0.459) 40.312 18.215 ( 3.851 -4.989 1.099) 6.397 18.346 ( 1.721 -0.937 0.312) 1.984 18.432 ( -1.236 3.672 -2.456) 4.587 18.528 ( 0.587 1.995 0.775) 2.219 18.619 ( 3.015 0.467 -1.988) 3.642 18.707 ( 0.704 -1.729 -0.935) 2.088 18.756 ( 0.482 0.000 0.671) 0.826 18.794 ( 4.670 -2.305 0.363) 5.220 19.045 ( -0.181 2.305 -0.893) 2.478 19.097 ( 0.332 0.136 1.234) 1.286 19.272 ( -3.019 -2.166 0.694) 3.780 19.340 ( -0.637 -2.531 -0.038) 2.610 21.391 ( 4.706 3.825 -5.446) 8.150 21.407 ( 3.114 8.294 -3.851) 9.660 21.615 ( 4.071 3.275 7.944) 9.508 21.721 ( 5.990 9.612 7.958) 13.842 23.310 ( -1.795 -0.475 -1.395) 2.322 23.363 ( -1.416 2.112 0.816) 2.670 23.527 ( -1.822 -1.187 0.675) 2.277 23.540 ( -1.739 -1.355 -0.549) 2.272 23.674 ( 3.416 -1.235 -0.820) 3.724 23.717 ( 4.565 0.215 0.676) 4.620 23.935 ( -2.081 -3.192 -4.251) 5.709 23.999 ( -2.069 -2.870 0.331) 3.554 ======================= Grid point 128 (57/70) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 25.772 14.813 -6.315) 30.389 1.477 ( 22.066 17.767 -11.435) 30.550 1.966 ( -2.920 7.071 5.468) 9.404 2.076 ( -9.650 8.848 2.901) 13.410 2.140 ( -3.519 6.753 0.833) 7.660 2.201 ( 0.551 4.446 8.844) 9.914 2.253 ( 14.923 7.798 -1.179) 16.879 2.354 ( -1.525 8.300 -4.522) 9.574 2.470 ( 2.187 6.917 -3.497) 8.054 2.530 ( -3.022 6.401 -0.846) 7.129 2.692 ( 7.337 -2.496 -5.377) 9.433 2.836 ( -3.794 -0.754 -3.274) 5.068 2.875 ( -1.209 2.275 -2.819) 3.819 3.018 ( -3.354 -3.149 -0.728) 4.658 3.093 ( 2.487 3.109 6.788) 7.869 3.169 ( -5.082 -3.978 0.055) 6.454 3.251 ( 1.743 -0.102 -3.141) 3.593 3.329 ( -6.450 0.460 0.309) 6.474 3.467 ( -2.474 -0.799 0.296) 2.617 3.533 ( -5.745 -8.072 0.655) 9.930 3.567 ( 5.392 -3.425 0.735) 6.430 3.660 ( 3.826 -5.308 -0.053) 6.543 3.734 ( 0.108 -0.513 -0.142) 0.543 3.796 ( 0.312 -3.494 0.795) 3.596 3.837 ( 5.120 -0.238 1.934) 5.478 3.898 ( -2.549 -2.689 -0.548) 3.745 4.013 ( 5.151 -5.222 3.765) 8.245 4.095 ( -2.019 -6.124 5.651) 8.574 4.215 ( 0.133 -4.139 3.593) 5.482 4.291 ( -1.361 0.777 1.344) 2.064 4.360 ( -8.318 0.077 0.122) 8.320 4.420 ( 2.058 -3.465 7.685) 8.678 4.575 ( 4.145 -1.178 1.241) 4.484 4.616 ( 0.459 -6.971 0.169) 6.988 4.691 ( -5.405 -7.924 -5.690) 11.153 4.821 ( 0.050 -5.404 -0.734) 5.454 4.904 ( -6.143 -1.362 -2.393) 6.732 4.995 ( 0.447 0.034 -4.307) 4.330 5.119 ( -2.911 -9.514 4.645) 10.980 5.161 ( 2.537 -3.577 -2.878) 5.245 5.192 ( 5.170 -2.126 0.592) 5.621 5.240 ( 2.166 -5.917 0.881) 6.362 5.327 ( -0.724 0.281 2.890) 2.992 5.383 ( -0.669 -2.720 -5.663) 6.318 5.460 ( -3.013 -3.625 -1.589) 4.975 5.483 ( -5.816 -3.094 1.996) 6.884 5.521 ( -2.963 1.576 -3.665) 4.969 5.651 ( -3.276 5.320 -2.526) 6.739 5.661 ( 3.502 -1.971 -4.365) 5.933 5.722 ( -3.544 -2.490 4.096) 5.961 5.780 ( -4.777 -1.732 -1.768) 5.380 5.815 ( 3.915 -1.649 -2.360) 4.859 5.898 ( -1.505 -0.013 -2.242) 2.701 6.039 ( -0.879 0.788 1.576) 1.969 6.105 ( 5.896 4.230 7.965) 10.774 6.113 ( -3.897 1.390 3.158) 5.205 6.214 ( 2.915 2.772 5.967) 7.197 6.295 ( 6.284 -2.801 -4.921) 8.459 6.385 ( -5.346 0.737 8.192) 9.809 6.441 ( 0.330 -9.297 3.960) 10.110 6.530 ( -1.119 -2.238 1.104) 2.735 6.593 ( 4.551 -1.663 -3.085) 5.744 6.630 ( 0.364 1.081 -2.066) 2.360 6.742 ( -7.190 1.205 -1.548) 7.453 6.837 ( -6.470 -1.738 -0.592) 6.725 6.918 ( -2.613 0.167 -6.358) 6.876 7.022 ( 1.608 2.923 4.198) 5.362 7.059 ( -0.941 1.496 -1.432) 2.275 7.076 ( -5.683 2.054 -6.772) 9.076 7.113 ( 2.598 -4.142 1.128) 5.017 7.241 ( -1.801 -6.041 -5.819) 8.579 7.283 ( -1.125 7.268 5.062) 8.928 7.332 ( -0.161 1.591 0.391) 1.646 7.378 ( 0.408 5.878 -7.077) 9.209 7.504 ( -3.578 0.415 -0.808) 3.692 7.580 ( -4.733 6.857 -2.196) 8.617 7.697 ( -3.445 1.380 2.277) 4.354 7.800 ( -3.685 -3.452 -3.893) 6.376 7.892 ( 0.711 1.457 2.553) 3.024 7.901 ( 4.683 -2.991 -0.509) 5.580 8.024 ( 3.603 -4.478 1.541) 5.951 8.051 ( 1.975 -4.978 3.124) 6.200 8.142 ( -2.398 -12.567 2.309) 13.001 8.279 ( 8.915 -6.458 2.851) 11.372 8.330 ( 0.687 3.408 0.653) 3.537 8.339 ( 1.271 5.044 3.823) 6.455 8.588 ( -0.721 -0.341 0.393) 0.889 8.670 ( 4.697 2.026 -1.698) 5.389 8.701 ( 2.487 -1.002 1.549) 3.096 8.766 ( 4.529 -5.245 7.523) 10.228 8.837 ( 0.642 3.130 2.334) 3.956 8.867 ( 7.737 4.363 0.341) 8.889 8.937 ( 1.790 -2.574 -5.091) 5.979 9.029 ( 3.651 5.678 -0.358) 6.761 9.076 ( 1.523 2.103 -0.223) 2.606 9.095 ( -2.109 1.724 1.377) 3.052 9.161 ( 6.654 -0.065 -1.472) 6.816 9.248 ( 3.507 5.249 -3.418) 7.178 9.295 ( 2.348 4.467 -2.048) 5.446 9.370 ( -1.692 -3.430 -7.424) 8.351 9.547 ( 3.899 2.301 0.096) 4.528 9.656 ( 5.000 4.369 2.588) 7.126 9.700 ( 0.838 7.895 2.491) 8.321 9.743 ( 3.059 0.733 -3.378) 4.616 9.781 ( 5.964 6.793 2.408) 9.355 9.860 ( 2.443 3.764 0.915) 4.579 9.909 ( -0.232 5.579 -2.940) 6.310 10.025 ( 4.774 2.174 3.712) 6.427 10.172 ( -7.677 2.387 2.993) 8.578 10.279 ( -4.224 3.480 -2.945) 6.215 10.298 ( -0.457 14.791 1.995) 14.932 10.465 ( -6.368 7.055 -3.442) 10.107 10.730 ( -6.827 -2.444 -2.097) 7.549 10.843 ( -10.361 1.574 1.956) 10.660 10.895 ( 2.646 4.325 1.168) 5.203 11.153 ( 2.632 -0.495 -1.551) 3.095 11.227 ( -4.882 -1.875 -1.569) 5.461 11.397 ( -5.231 0.359 3.501) 6.304 11.434 ( -8.271 1.642 0.659) 8.458 11.543 ( 3.725 -3.573 -1.023) 5.262 11.559 ( 1.378 -3.831 -0.371) 4.088 11.702 ( -3.977 -1.547 1.390) 4.488 11.927 ( -1.165 -4.631 3.351) 5.834 12.005 ( -0.553 -1.164 -4.505) 4.686 12.254 ( 3.169 -6.782 0.552) 7.507 12.357 ( 2.285 -5.457 -0.541) 5.941 12.477 ( 2.396 -1.738 -0.161) 2.964 12.506 ( 1.601 -4.721 -1.350) 5.164 12.562 ( 5.772 -8.595 1.465) 10.456 12.700 ( -3.521 -2.940 -0.608) 4.627 12.882 ( -2.549 -11.724 1.645) 12.110 12.923 ( -0.953 -12.841 4.128) 13.522 13.243 ( 0.955 10.892 -1.062) 10.985 13.273 ( 2.976 2.437 0.081) 3.848 13.399 ( -1.099 9.581 -5.489) 11.097 13.512 ( -5.034 2.546 -4.616) 7.289 13.537 ( 5.667 7.803 -1.284) 9.729 13.659 ( -0.025 7.384 3.830) 8.318 13.743 ( 0.960 9.026 2.956) 9.546 13.790 ( 0.229 9.216 0.935) 9.267 13.817 ( 2.002 3.969 1.250) 4.618 13.911 ( -1.331 6.400 2.442) 6.978 14.019 ( -1.067 0.573 -0.607) 1.355 14.036 ( -1.370 1.514 0.325) 2.068 15.280 ( 5.455 -1.599 -0.810) 5.742 15.322 ( 5.857 -1.729 1.198) 6.224 15.342 ( 3.381 -0.791 -1.138) 3.653 15.480 ( -2.306 -4.370 0.148) 4.943 15.605 ( 4.725 -2.514 2.740) 6.013 15.751 ( 5.968 -3.907 11.376) 13.427 15.784 ( -2.427 -1.269 0.908) 2.885 15.964 ( 1.477 0.368 3.965) 4.247 16.051 ( 7.161 -7.912 -5.289) 11.911 16.246 ( 15.100 -2.959 5.693) 16.406 16.560 ( -24.519 -0.804 -19.042) 31.055 17.134 ( -31.448 -12.723 0.115) 33.924 18.238 ( -2.399 -0.606 3.742) 4.486 18.350 ( -1.431 3.324 -6.367) 7.324 18.441 ( 6.263 -5.128 -0.287) 8.100 18.530 ( -1.039 -0.647 1.053) 1.615 18.656 ( 2.875 1.518 -1.530) 3.593 18.697 ( -1.365 -0.633 0.265) 1.528 18.789 ( 3.035 1.121 0.129) 3.238 18.847 ( 0.733 0.365 0.927) 1.237 19.036 ( 0.240 0.596 -0.469) 0.796 19.093 ( -2.007 -2.592 0.471) 3.311 19.245 ( -0.593 -0.192 0.296) 0.690 19.306 ( -2.705 -0.179 -0.265) 2.723 21.413 ( 2.492 -1.957 -0.979) 3.316 21.428 ( 4.164 5.844 -4.545) 8.494 21.763 ( 5.729 -0.298 1.622) 5.961 21.854 ( -3.106 0.595 8.773) 9.326 23.274 ( -0.828 -0.453 0.584) 1.110 23.345 ( -1.579 1.143 -0.269) 1.968 23.504 ( -0.666 -2.138 -0.778) 2.370 23.509 ( -1.480 -1.405 0.679) 2.151 23.728 ( 3.788 0.014 -0.222) 3.794 23.811 ( 4.299 -0.113 0.122) 4.302 23.874 ( 0.535 -0.366 -3.457) 3.517 23.958 ( -3.485 -1.479 1.067) 3.933 ======================= Grid point 129 (58/70) ======================= q-point: (-0.50 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -6.732 14.494 -2.282) 16.143 1.711 ( 6.732 14.494 2.282) 16.143 1.802 ( -7.812 8.860 2.305) 12.035 1.802 ( 7.812 8.860 -2.305) 12.035 2.177 ( -1.322 3.440 -3.171) 4.862 2.177 ( 1.322 3.440 3.171) 4.862 2.410 ( 3.193 5.650 -5.376) 8.427 2.410 ( -3.193 5.650 5.376) 8.427 2.538 ( -11.163 7.670 -1.000) 13.581 2.538 ( 11.163 7.670 1.000) 13.581 2.767 ( -4.439 -4.822 -0.187) 6.557 2.767 ( 4.439 -4.822 0.187) 6.557 2.953 ( 1.817 -2.048 -4.692) 5.432 2.953 ( -1.817 -2.048 4.692) 5.432 3.112 ( -7.232 3.998 0.832) 8.306 3.112 ( 7.232 3.997 -0.832) 8.306 3.251 ( -2.871 0.354 -5.742) 6.430 3.251 ( 2.871 0.354 5.742) 6.430 3.393 ( -1.518 -5.199 -4.361) 6.954 3.393 ( 1.518 -5.199 4.361) 6.954 3.624 ( -1.426 -4.808 -5.390) 7.362 3.624 ( 1.426 -4.808 5.390) 7.362 3.804 ( -1.274 -1.988 -2.124) 3.176 3.804 ( 1.274 -1.988 2.124) 3.176 3.888 ( 4.664 -2.687 -4.236) 6.850 3.888 ( -4.664 -2.687 4.236) 6.850 4.129 ( 3.957 -8.806 -5.441) 11.082 4.129 ( -3.957 -8.806 5.441) 11.082 4.231 ( -5.809 5.758 0.217) 8.181 4.231 ( 5.809 5.758 -0.217) 8.181 4.418 ( -2.383 -1.740 -3.562) 4.625 4.418 ( 2.383 -1.740 3.562) 4.625 4.575 ( 0.703 -5.182 -7.195) 8.895 4.575 ( -0.703 -5.182 7.195) 8.895 4.725 ( -8.568 -1.423 -1.086) 8.753 4.725 ( 8.568 -1.423 1.086) 8.753 4.909 ( -2.933 -0.607 -7.130) 7.734 4.909 ( 2.933 -0.607 7.130) 7.734 5.117 ( 0.888 -7.556 -3.882) 8.542 5.117 ( -0.888 -7.556 3.882) 8.542 5.244 ( -1.871 -2.228 -3.305) 4.403 5.244 ( 1.871 -2.228 3.305) 4.403 5.368 ( -2.033 -6.430 -3.130) 7.435 5.368 ( 2.033 -6.430 3.130) 7.435 5.424 ( 1.080 1.076 -5.240) 5.457 5.424 ( -1.080 1.076 5.240) 5.457 5.586 ( -3.088 -9.116 -10.756) 14.434 5.586 ( 3.088 -9.116 10.756) 14.434 5.664 ( -1.726 4.101 -6.306) 7.718 5.664 ( 1.726 4.101 6.306) 7.718 5.774 ( 0.258 -3.214 -4.040) 5.169 5.774 ( -0.258 -3.214 4.040) 5.169 5.992 ( -11.237 3.232 -0.288) 11.697 5.992 ( 11.237 3.232 0.288) 11.697 6.126 ( -3.184 5.648 -6.769) 9.374 6.126 ( 3.184 5.648 6.769) 9.374 6.273 ( -0.154 -0.469 -3.532) 3.566 6.273 ( 0.154 -0.469 3.532) 3.566 6.457 ( -7.381 -4.381 -3.013) 9.097 6.457 ( 7.381 -4.381 3.013) 9.097 6.584 ( -2.301 0.664 -3.846) 4.531 6.584 ( 2.301 0.664 3.846) 4.531 6.654 ( -3.237 -5.868 -8.043) 10.469 6.654 ( 3.237 -5.868 8.043) 10.469 6.838 ( -4.626 -4.845 -4.381) 8.004 6.838 ( 4.626 -4.845 4.381) 8.004 6.909 ( -5.352 5.650 -1.113) 7.862 6.909 ( 5.352 5.650 1.113) 7.862 7.101 ( 0.496 2.313 -4.183) 4.805 7.101 ( -0.496 2.313 4.183) 4.805 7.300 ( -0.783 -3.237 -4.841) 5.876 7.300 ( 0.783 -3.237 4.841) 5.876 7.344 ( -3.968 7.488 -4.528) 9.608 7.344 ( 3.968 7.488 4.528) 9.608 7.474 ( -2.488 5.586 -4.179) 7.407 7.474 ( 2.488 5.586 4.179) 7.407 7.721 ( 0.324 -0.494 -4.827) 4.863 7.721 ( -0.324 -0.494 4.827) 4.863 7.921 ( 1.793 1.131 -4.893) 5.332 7.921 ( -1.793 1.131 4.893) 5.332 8.085 ( 1.501 -10.520 -3.510) 11.191 8.085 ( -1.501 -10.520 3.510) 11.191 8.206 ( -4.856 -3.463 -6.719) 8.984 8.206 ( 4.856 -3.463 6.719) 8.984 8.410 ( -0.460 4.531 -6.987) 8.340 8.410 ( 0.460 4.531 6.987) 8.340 8.629 ( -3.840 -1.407 -4.093) 5.786 8.629 ( 3.840 -1.407 4.093) 5.786 8.749 ( 4.077 3.412 -5.027) 7.317 8.749 ( -4.077 3.412 5.027) 7.317 8.914 ( 1.676 1.861 -6.607) 7.066 8.914 ( -1.676 1.861 6.607) 7.066 9.045 ( -1.503 -1.890 -8.197) 8.545 9.045 ( 1.503 -1.890 8.197) 8.545 9.079 ( 3.752 -0.349 -3.754) 5.320 9.079 ( -3.752 -0.349 3.754) 5.320 9.234 ( -3.490 -3.890 -4.348) 6.798 9.234 ( 3.490 -3.890 4.348) 6.798 9.293 ( 0.758 3.392 -2.350) 4.195 9.293 ( -0.758 3.392 2.350) 4.195 9.631 ( -0.861 3.328 -2.460) 4.227 9.631 ( 0.861 3.328 2.460) 4.227 9.749 ( 1.231 4.704 -2.780) 5.601 9.749 ( -1.231 4.704 2.780) 5.601 9.852 ( -0.463 8.489 -3.744) 9.290 9.852 ( 0.463 8.489 3.744) 9.290 10.009 ( -6.974 -3.015 -4.133) 8.650 10.009 ( 6.974 -3.015 4.133) 8.650 10.201 ( 0.017 1.188 -5.408) 5.537 10.201 ( -0.017 1.188 5.408) 5.537 10.335 ( -1.073 16.193 -4.463) 16.831 10.335 ( 1.073 16.193 4.463) 16.831 10.664 ( -0.425 1.913 -0.579) 2.044 10.664 ( 0.425 1.913 0.579) 2.044 11.087 ( -10.203 0.886 -1.254) 10.318 11.087 ( 10.203 0.886 1.254) 10.318 11.226 ( -6.474 1.918 -3.362) 7.543 11.226 ( 6.474 1.918 3.362) 7.543 11.482 ( 1.453 -2.770 -10.579) 11.032 11.482 ( -1.453 -2.770 10.579) 11.032 11.649 ( -2.126 -0.513 -1.707) 2.774 11.649 ( 2.126 -0.513 1.707) 2.774 11.946 ( 0.668 -3.042 -4.074) 5.128 11.946 ( -0.668 -3.042 4.074) 5.128 12.316 ( 0.509 -7.164 -4.217) 8.329 12.316 ( -0.509 -7.164 4.217) 8.329 12.529 ( -1.726 -2.432 -0.530) 3.029 12.529 ( 1.726 -2.432 0.530) 3.029 12.633 ( -3.002 -6.735 0.056) 7.374 12.633 ( 3.002 -6.735 -0.056) 7.374 12.908 ( -2.111 -13.932 -1.073) 14.132 12.908 ( 2.111 -13.932 1.073) 14.132 13.297 ( -3.608 10.634 -3.287) 11.700 13.297 ( 3.608 10.634 3.287) 11.700 13.365 ( -5.146 2.204 -3.064) 6.382 13.365 ( 5.146 2.204 3.064) 6.382 13.639 ( -4.974 6.205 0.139) 7.954 13.639 ( 4.974 6.205 -0.139) 7.954 13.771 ( -0.362 8.592 -1.509) 8.732 13.771 ( 0.362 8.592 1.509) 8.732 13.892 ( 0.740 6.767 -1.905) 7.069 13.892 ( -0.740 6.767 1.905) 7.069 14.015 ( -0.261 1.093 -0.667) 1.307 14.015 ( 0.261 1.093 0.667) 1.307 15.343 ( 0.035 -1.313 -0.672) 1.476 15.343 ( -0.035 -1.313 0.672) 1.476 15.420 ( -3.297 -3.333 -0.460) 4.711 15.420 ( 3.297 -3.333 0.460) 4.711 15.717 ( -4.323 -3.067 -1.731) 5.576 15.717 ( 4.323 -3.067 1.731) 5.576 15.985 ( -3.212 -1.995 -8.871) 9.643 15.985 ( 3.212 -1.995 8.871) 9.643 16.110 ( -5.321 -3.121 -1.124) 6.270 16.110 ( 5.321 -3.121 1.124) 6.270 16.641 ( -23.373 -6.974 -3.721) 24.674 16.641 ( 23.373 -6.974 3.721) 24.674 18.266 ( 1.628 2.219 -7.161) 7.671 18.266 ( -1.628 2.219 7.161) 7.671 18.512 ( 2.945 -2.755 -4.449) 6.005 18.512 ( -2.945 -2.755 4.449) 6.005 18.678 ( 1.949 0.494 -1.865) 2.742 18.678 ( -1.949 0.494 1.865) 2.742 18.840 ( -2.118 1.525 0.090) 2.612 18.840 ( 2.118 1.525 -0.090) 2.612 19.054 ( -2.174 -2.428 -0.006) 3.259 19.054 ( 2.174 -2.428 0.006) 3.259 19.260 ( -1.240 0.681 -0.708) 1.582 19.260 ( 1.240 0.681 0.708) 1.582 21.436 ( 0.718 1.059 -1.667) 2.101 21.436 ( -0.718 1.059 1.667) 2.101 21.844 ( 6.075 -0.980 -6.743) 9.129 21.844 ( -6.075 -0.980 6.743) 9.129 23.300 ( -1.698 0.023 -1.654) 2.370 23.300 ( 1.698 0.023 1.654) 2.370 23.498 ( 0.647 -2.008 -0.460) 2.159 23.498 ( -0.647 -2.008 0.460) 2.159 23.797 ( -3.027 0.531 -1.140) 3.278 23.797 ( 3.027 0.531 1.140) 3.278 23.906 ( 0.058 -0.829 -0.382) 0.915 23.906 ( -0.058 -0.829 0.382) 0.915 ======================= Grid point 133 (59/70) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -1.867 18.091 -16.103) 24.291 1.686 ( 1.867 18.091 16.103) 24.291 1.844 ( 4.805 16.903 -18.013) 25.165 1.844 ( -4.805 16.903 18.013) 25.165 2.489 ( -0.840 1.760 -4.755) 5.139 2.489 ( 0.840 1.760 4.755) 5.139 2.538 ( 0.156 0.809 -5.050) 5.117 2.538 ( -0.156 0.809 5.050) 5.117 2.755 ( -4.038 12.518 -3.538) 13.620 2.755 ( 4.038 12.518 3.538) 13.620 2.894 ( 1.903 4.342 -5.571) 7.315 2.894 ( -1.903 4.342 5.571) 7.315 2.945 ( -2.066 1.292 -0.898) 2.597 2.945 ( 2.066 1.292 0.898) 2.597 3.197 ( 2.063 7.631 -5.445) 9.598 3.197 ( -2.063 7.631 5.445) 9.598 3.286 ( -1.561 -1.871 -1.482) 2.852 3.286 ( 1.561 -1.871 1.482) 2.852 3.388 ( -2.104 0.620 -6.755) 7.102 3.388 ( 2.104 0.620 6.755) 7.102 3.513 ( 3.291 -7.186 -5.913) 9.871 3.513 ( -3.291 -7.186 5.913) 9.871 3.628 ( 7.189 -2.570 -4.726) 8.979 3.628 ( -7.189 -2.570 4.726) 8.979 3.822 ( 2.823 -3.183 -10.086) 10.947 3.822 ( -2.823 -3.183 10.086) 10.947 3.993 ( -1.252 2.820 -1.163) 3.298 3.993 ( 1.252 2.820 1.163) 3.298 4.085 ( -3.319 -1.783 -1.729) 4.145 4.085 ( 3.319 -1.783 1.729) 4.145 4.326 ( -3.685 -7.577 -3.263) 9.035 4.326 ( 3.685 -7.577 3.263) 9.035 4.483 ( 10.279 -4.869 -8.463) 14.177 4.483 ( -10.279 -4.869 8.463) 14.177 4.722 ( -3.639 -7.880 -1.460) 8.801 4.722 ( 3.639 -7.880 1.460) 8.801 4.830 ( -0.520 -5.059 -0.608) 5.122 4.830 ( 0.520 -5.059 0.608) 5.122 4.932 ( -10.414 -6.740 -3.875) 12.996 4.932 ( 10.414 -6.740 3.875) 12.996 5.097 ( -5.185 -8.299 -2.324) 10.057 5.097 ( 5.185 -8.299 2.324) 10.057 5.346 ( -2.099 -1.823 -7.230) 7.746 5.346 ( 2.099 -1.823 7.230) 7.746 5.385 ( -4.478 -6.599 -8.006) 11.300 5.385 ( 4.478 -6.599 8.006) 11.300 5.566 ( 2.557 0.088 -8.903) 9.263 5.566 ( -2.557 0.088 8.903) 9.263 5.646 ( 1.558 -5.386 -3.779) 6.761 5.646 ( -1.558 -5.386 3.779) 6.761 5.824 ( 0.015 -2.210 -3.291) 3.965 5.824 ( -0.015 -2.210 3.291) 3.965 5.905 ( 0.482 -3.800 -1.821) 4.241 5.905 ( -0.482 -3.800 1.821) 4.241 6.085 ( 0.387 -1.249 -3.163) 3.423 6.085 ( -0.387 -1.249 3.163) 3.423 6.302 ( -2.596 3.152 -1.478) 4.343 6.302 ( 2.596 3.152 1.478) 4.343 6.446 ( -5.266 -7.809 -5.107) 10.714 6.446 ( 5.266 -7.809 5.107) 10.714 6.595 ( 3.986 -0.524 -3.841) 5.560 6.595 ( -3.986 -0.524 3.841) 5.560 6.760 ( -1.880 -1.238 -1.456) 2.680 6.760 ( 1.880 -1.238 1.456) 2.680 6.907 ( 3.711 -3.836 -3.627) 6.454 6.907 ( -3.711 -3.836 3.627) 6.454 7.008 ( -3.923 -1.237 -3.883) 5.657 7.008 ( 3.923 -1.237 3.883) 5.657 7.109 ( 4.825 3.719 -5.893) 8.476 7.109 ( -4.825 3.719 5.893) 8.476 7.265 ( -3.574 0.383 -5.612) 6.665 7.265 ( 3.574 0.383 5.612) 6.665 7.446 ( -5.693 2.122 -3.386) 6.955 7.446 ( 5.693 2.122 3.386) 6.955 7.555 ( -2.199 -2.121 -2.174) 3.750 7.555 ( 2.199 -2.121 2.174) 3.750 7.680 ( 4.717 -0.873 -4.097) 6.309 7.680 ( -4.717 -0.873 4.097) 6.309 7.841 ( -3.973 -5.410 -1.829) 6.957 7.841 ( 3.973 -5.410 1.829) 6.957 7.985 ( -1.185 4.144 -8.218) 9.279 7.985 ( 1.185 4.144 8.218) 9.279 8.145 ( 1.003 7.243 -5.185) 8.964 8.145 ( -1.003 7.243 5.185) 8.964 8.315 ( -1.417 -2.100 -3.222) 4.099 8.315 ( 1.417 -2.100 3.222) 4.099 8.485 ( 1.095 -1.274 -2.136) 2.717 8.485 ( -1.095 -1.274 2.136) 2.717 8.614 ( -3.225 3.636 -5.418) 7.279 8.614 ( 3.225 3.636 5.418) 7.279 8.844 ( -1.781 3.296 -3.130) 4.881 8.844 ( 1.781 3.296 3.130) 4.881 8.997 ( -0.446 -0.320 -2.455) 2.516 8.997 ( 0.446 -0.320 2.455) 2.516 9.078 ( 0.043 2.663 -0.998) 2.844 9.078 ( -0.043 2.663 0.998) 2.844 9.295 ( 2.344 6.653 -4.342) 8.283 9.295 ( -2.344 6.653 4.342) 8.283 9.469 ( -1.253 0.910 -3.176) 3.533 9.469 ( 1.253 0.910 3.176) 3.533 9.521 ( -5.327 14.056 -0.530) 15.040 9.521 ( 5.327 14.056 0.530) 15.040 9.778 ( -1.148 8.002 -4.133) 9.079 9.778 ( 1.148 8.002 4.133) 9.079 10.039 ( 0.065 3.449 -8.675) 9.335 10.039 ( -0.065 3.449 8.675) 9.335 10.139 ( -5.398 9.672 -7.004) 13.105 10.139 ( 5.398 9.672 7.004) 13.105 10.295 ( 0.276 6.380 -2.236) 6.766 10.295 ( -0.276 6.380 2.236) 6.766 10.566 ( 0.389 5.478 -6.495) 8.505 10.566 ( -0.389 5.478 6.495) 8.505 10.909 ( -7.243 -5.232 -5.393) 10.436 10.909 ( 7.243 -5.232 5.393) 10.436 11.146 ( -0.071 0.404 -3.086) 3.113 11.146 ( 0.071 0.404 3.086) 3.113 11.209 ( 4.077 -5.988 -5.561) 9.133 11.209 ( -4.077 -5.988 5.561) 9.133 11.550 ( 2.409 0.942 -1.715) 3.103 11.550 ( -2.409 0.942 1.715) 3.103 11.696 ( -2.714 -2.128 -2.876) 4.490 11.696 ( 2.714 -2.128 2.876) 4.490 11.876 ( 3.099 -6.809 -4.121) 8.541 11.876 ( -3.099 -6.809 4.121) 8.541 11.995 ( -1.052 -6.644 -0.033) 6.727 11.995 ( 1.052 -6.644 0.033) 6.727 12.255 ( -0.591 -2.774 -0.372) 2.860 12.255 ( 0.591 -2.774 0.372) 2.860 12.621 ( -2.814 -9.392 -0.426) 9.814 12.621 ( 2.814 -9.392 0.426) 9.814 12.740 ( 0.569 -6.871 -4.305) 8.128 12.740 ( -0.569 -6.871 4.305) 8.128 13.406 ( 3.164 7.890 -8.713) 12.172 13.406 ( -3.164 7.890 8.713) 12.172 13.611 ( -3.132 4.348 -1.960) 5.705 13.611 ( 3.132 4.348 1.960) 5.705 13.695 ( 4.379 5.865 -4.625) 8.658 13.695 ( -4.379 5.865 4.625) 8.658 13.870 ( 1.238 9.288 -5.337) 10.783 13.870 ( -1.238 9.288 5.337) 10.783 14.000 ( 1.148 5.438 -1.670) 5.804 14.000 ( -1.148 5.438 1.670) 5.804 14.079 ( 1.156 0.623 -2.526) 2.847 14.079 ( -1.156 0.623 2.526) 2.847 15.168 ( -1.342 0.055 -1.967) 2.382 15.168 ( 1.342 0.055 1.967) 2.382 15.243 ( -0.209 1.075 -1.522) 1.875 15.243 ( 0.209 1.075 1.522) 1.875 15.612 ( -1.395 2.354 0.096) 2.737 15.612 ( 1.395 2.354 -0.096) 2.737 15.790 ( -5.002 -3.292 0.890) 6.054 15.790 ( 5.002 -3.292 -0.890) 6.054 15.939 ( -0.021 -0.683 -5.612) 5.654 15.939 ( 0.021 -0.683 5.612) 5.654 17.039 ( 4.956 -33.691 -9.206) 35.276 17.039 ( -4.956 -33.691 9.206) 35.276 18.375 ( -2.607 4.973 0.023) 5.615 18.375 ( 2.607 4.973 -0.023) 5.615 18.532 ( -1.550 3.838 -0.191) 4.144 18.532 ( 1.550 3.838 0.191) 4.144 18.632 ( -1.973 0.764 -0.993) 2.337 18.632 ( 1.973 0.764 0.993) 2.337 18.772 ( 0.676 1.810 -1.752) 2.608 18.772 ( -0.676 1.810 1.752) 2.608 19.089 ( 1.648 -1.238 -1.599) 2.609 19.089 ( -1.648 -1.238 1.599) 2.609 19.261 ( 0.015 -1.297 -0.706) 1.477 19.261 ( -0.015 -1.297 0.706) 1.477 21.447 ( -3.212 -0.391 -6.458) 7.223 21.447 ( 3.212 -0.391 6.458) 7.223 21.773 ( 3.477 5.644 -7.418) 9.949 21.773 ( -3.477 5.644 7.418) 9.949 23.375 ( -2.517 1.449 -1.885) 3.462 23.375 ( 2.517 1.449 1.885) 3.462 23.532 ( -0.349 -1.051 -0.761) 1.344 23.532 ( 0.349 -1.051 0.761) 1.344 23.630 ( -1.718 -1.972 -1.460) 2.996 23.630 ( 1.718 -1.972 1.460) 2.996 23.907 ( -0.013 -4.613 -2.691) 5.340 23.907 ( 0.013 -4.613 2.691) 5.340 ======================= Grid point 135 (60/70) ======================= q-point: ( 0.17 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 7.691 21.765 -10.742) 25.461 1.777 ( 10.565 21.407 -13.192) 27.275 1.911 ( 1.920 11.566 14.562) 18.695 2.087 ( 6.592 10.398 13.235) 18.076 2.366 ( -3.065 2.049 -5.645) 6.742 2.450 ( -5.324 4.397 -2.903) 7.490 2.476 ( -8.354 4.922 1.557) 9.820 2.533 ( -0.737 0.958 0.286) 1.242 2.667 ( -2.042 15.665 -2.583) 16.007 2.747 ( -6.258 4.575 -1.351) 7.869 2.766 ( -4.848 -1.284 -4.517) 6.750 2.906 ( 2.116 6.855 -1.027) 7.247 2.985 ( 6.210 8.419 -2.779) 10.824 3.028 ( 5.351 1.129 -1.306) 5.622 3.138 ( -3.341 -4.445 -1.473) 5.752 3.168 ( -5.684 3.509 0.232) 6.684 3.283 ( 2.016 -1.142 -4.848) 5.373 3.320 ( 0.633 -5.821 1.244) 5.986 3.391 ( -3.333 -2.060 0.927) 4.027 3.439 ( -0.070 -2.579 0.748) 2.686 3.521 ( 1.070 -0.672 3.479) 3.701 3.563 ( 7.601 -2.055 -1.294) 7.979 3.590 ( -2.626 -3.021 1.452) 4.258 3.659 ( 5.744 4.347 3.786) 8.137 3.810 ( -1.114 0.916 -1.965) 2.437 3.900 ( -7.879 -7.576 7.612) 13.320 3.947 ( -4.976 4.225 1.719) 6.750 3.964 ( -4.195 -4.208 -0.889) 6.008 4.025 ( 4.776 -8.552 4.278) 10.688 4.171 ( 1.830 -2.333 3.613) 4.674 4.248 ( 0.469 -5.650 -2.576) 6.227 4.375 ( -2.789 -9.501 3.535) 10.514 4.464 ( -4.538 -2.354 7.547) 9.116 4.507 ( 3.164 -2.864 -9.100) 10.051 4.649 ( 0.727 -2.427 1.898) 3.166 4.724 ( -1.539 -9.412 -2.343) 9.821 4.784 ( 5.493 -7.684 -0.986) 9.497 4.835 ( 0.534 -11.376 2.865) 11.744 4.936 ( 1.778 -4.965 -5.009) 7.273 4.968 ( -4.553 -5.911 1.629) 7.637 5.103 ( 5.792 -10.249 -4.667) 12.664 5.190 ( 0.268 0.942 -3.129) 3.278 5.271 ( 0.256 -3.001 -2.670) 4.025 5.346 ( 6.989 -1.264 1.398) 7.239 5.494 ( 5.871 -3.766 2.888) 7.549 5.527 ( 2.993 -3.220 -6.814) 8.110 5.561 ( 0.695 -4.727 7.152) 8.601 5.602 ( -4.633 -3.299 -1.043) 5.782 5.643 ( 2.360 0.213 7.497) 7.862 5.728 ( 6.059 -3.497 -0.426) 7.009 5.776 ( 0.107 -1.693 1.933) 2.572 5.814 ( 0.543 -0.728 -6.266) 6.331 5.890 ( -0.267 -2.616 -3.403) 4.300 6.004 ( -3.261 -2.262 8.579) 9.452 6.010 ( 0.320 -0.551 3.363) 3.423 6.128 ( -2.585 -0.878 1.487) 3.109 6.221 ( -6.347 1.576 -0.524) 6.560 6.276 ( -5.713 -2.789 -0.900) 6.421 6.356 ( 2.637 3.613 -1.948) 4.879 6.453 ( -3.604 -5.151 -2.568) 6.791 6.494 ( -3.533 -12.178 -1.836) 12.812 6.585 ( 1.472 2.481 -5.106) 5.864 6.679 ( -9.280 6.416 3.938) 11.949 6.748 ( -2.219 -2.246 2.633) 4.111 6.847 ( -3.631 -6.540 3.324) 8.186 6.969 ( -3.370 -4.523 2.737) 6.269 7.002 ( 5.907 -3.753 -4.158) 8.140 7.022 ( -5.465 2.836 3.121) 6.903 7.105 ( 2.027 0.237 -4.908) 5.316 7.134 ( 0.674 -5.732 0.381) 5.784 7.222 ( 0.341 2.298 6.213) 6.633 7.334 ( 0.907 -0.710 -9.357) 9.427 7.343 ( -1.258 -0.106 -0.881) 1.540 7.465 ( -3.486 1.651 0.797) 3.939 7.539 ( 4.157 -2.247 -2.596) 5.391 7.622 ( 2.370 -5.188 1.995) 6.042 7.631 ( -3.586 0.937 0.750) 3.782 7.733 ( 4.856 -6.508 -0.301) 8.125 7.833 ( 2.997 2.727 3.252) 5.196 7.892 ( 2.203 6.065 -2.213) 6.821 7.918 ( 5.818 -1.236 -4.252) 7.311 8.046 ( -4.458 -0.128 -1.105) 4.595 8.135 ( -2.448 8.236 2.902) 9.068 8.229 ( 3.807 4.592 -0.760) 6.013 8.363 ( -0.828 -0.768 3.439) 3.619 8.382 ( 11.014 4.101 -1.693) 11.874 8.395 ( -2.906 -2.162 -2.558) 4.434 8.498 ( -1.779 -3.721 2.497) 4.821 8.542 ( -0.282 -5.101 3.457) 6.168 8.666 ( 0.494 1.793 1.222) 2.226 8.828 ( 0.995 -0.392 1.138) 1.562 8.882 ( -2.612 5.176 2.822) 6.448 8.987 ( 0.162 -1.306 1.890) 2.303 9.046 ( -0.242 1.354 5.009) 5.194 9.131 ( 2.637 1.947 -0.422) 3.305 9.152 ( 4.910 6.694 0.188) 8.304 9.285 ( -1.771 8.889 1.275) 9.153 9.292 ( 1.812 2.699 -0.457) 3.283 9.432 ( 6.281 6.661 -5.172) 10.515 9.477 ( 0.735 7.512 1.559) 7.707 9.536 ( 3.752 0.618 -7.040) 8.002 9.623 ( 4.404 11.247 -0.164) 12.080 9.736 ( 1.173 6.451 -2.236) 6.927 9.840 ( -0.151 5.920 1.610) 6.136 9.909 ( 0.571 6.724 -6.507) 9.374 10.003 ( -1.358 9.118 -2.001) 9.433 10.089 ( -4.291 3.467 4.159) 6.909 10.192 ( 0.785 16.196 -1.415) 16.277 10.260 ( -4.593 2.870 2.338) 5.899 10.421 ( 4.619 5.398 3.657) 7.991 10.548 ( 0.914 9.386 -4.664) 10.521 10.632 ( -2.144 -0.693 -7.425) 7.760 10.698 ( -1.449 -2.882 10.788) 11.260 10.917 ( -3.730 6.295 -2.061) 7.602 11.081 ( -6.539 -2.683 2.510) 7.500 11.170 ( -1.680 -1.533 -1.049) 2.504 11.268 ( 4.904 -0.669 -1.200) 5.092 11.291 ( 3.871 -7.515 3.790) 9.264 11.458 ( -5.008 1.297 -3.475) 6.233 11.519 ( 1.353 -3.176 -6.062) 6.976 11.602 ( -4.946 3.846 -1.197) 6.379 11.759 ( -0.423 -5.872 4.184) 7.222 11.771 ( -7.298 -1.193 2.101) 7.688 11.970 ( 1.707 -12.545 0.364) 12.666 11.999 ( 6.474 -4.762 -4.671) 9.295 12.057 ( 5.547 -9.169 0.764) 10.744 12.294 ( 2.933 -4.204 3.111) 5.996 12.326 ( 4.711 -2.276 2.346) 5.733 12.535 ( -5.322 -5.676 0.976) 7.842 12.641 ( -2.707 -12.463 -2.738) 13.044 12.703 ( 0.615 -9.956 -0.828) 10.009 12.748 ( -3.819 -2.501 3.169) 5.557 13.353 ( 1.009 7.407 -4.226) 8.588 13.439 ( -2.703 6.609 4.528) 8.455 13.547 ( 0.194 4.510 -4.205) 6.170 13.623 ( -0.034 1.754 -3.788) 4.174 13.704 ( -2.271 2.932 5.196) 6.384 13.786 ( 5.117 6.115 -0.768) 8.010 13.838 ( 1.690 12.322 -0.248) 12.440 13.908 ( -1.177 8.122 4.247) 9.241 13.996 ( -1.346 7.127 0.946) 7.314 14.011 ( 1.303 5.825 0.613) 6.000 14.057 ( -0.599 -0.279 -1.949) 2.058 14.086 ( -1.064 2.816 2.811) 4.119 15.165 ( 2.687 -1.410 -0.324) 3.052 15.226 ( 2.319 -0.923 0.090) 2.498 15.252 ( 3.899 0.397 1.042) 4.056 15.302 ( 4.442 -1.740 -0.375) 4.785 15.579 ( -2.629 0.832 0.081) 2.759 15.636 ( 1.365 2.454 1.666) 3.266 15.771 ( 0.054 -2.237 1.709) 2.815 15.835 ( 0.412 -6.134 -4.760) 7.775 15.936 ( 8.261 0.399 -1.409) 8.389 15.993 ( -0.655 -1.925 5.521) 5.883 16.818 ( -16.190 -23.504 -0.755) 28.550 17.070 ( -5.610 -28.789 -2.203) 29.413 18.257 ( -5.474 5.577 0.873) 7.864 18.367 ( -1.425 2.594 -0.411) 2.987 18.537 ( -1.227 5.289 -0.712) 5.476 18.572 ( -0.513 2.495 -0.536) 2.603 18.645 ( 5.240 1.919 -0.644) 5.617 18.675 ( 1.342 -0.504 0.682) 1.587 18.767 ( -0.597 1.291 0.680) 1.577 18.803 ( 4.774 1.656 -0.937) 5.139 19.062 ( -3.646 -3.431 1.810) 5.324 19.084 ( 0.113 0.188 -1.697) 1.711 19.250 ( -0.346 -0.456 -0.099) 0.581 19.284 ( 0.870 -1.172 0.431) 1.522 21.352 ( -0.039 -2.093 -4.089) 4.593 21.561 ( 1.617 0.740 1.767) 2.507 21.697 ( -2.144 4.863 1.845) 5.625 21.838 ( 1.253 1.949 1.206) 2.612 23.307 ( -3.392 0.269 -0.533) 3.444 23.402 ( -1.273 1.751 0.512) 2.225 23.492 ( -2.640 -1.962 -0.357) 3.308 23.512 ( -2.522 -1.414 0.403) 2.919 23.646 ( 4.404 -1.503 -0.817) 4.725 23.708 ( 5.139 -1.147 0.492) 5.288 23.879 ( 1.039 -2.475 -3.156) 4.143 23.925 ( -0.951 -4.306 1.491) 4.655 ======================= Grid point 136 (61/70) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 17.579 18.972 -0.248) 25.865 1.846 ( 12.983 18.686 -9.767) 24.761 2.082 ( -1.177 5.973 4.357) 7.486 2.236 ( 1.777 2.662 -2.986) 4.377 2.279 ( -6.183 4.902 7.499) 10.885 2.312 ( -10.642 9.336 1.741) 14.263 2.409 ( 3.906 6.916 3.442) 8.657 2.499 ( -1.723 4.675 -2.167) 5.433 2.641 ( -0.274 4.604 0.857) 4.691 2.670 ( -0.370 0.811 0.580) 1.064 2.688 ( -0.154 6.276 -0.375) 6.289 2.896 ( -0.918 5.372 -4.304) 6.944 2.996 ( -6.132 4.899 -2.879) 8.360 3.029 ( 0.941 3.565 -6.887) 7.811 3.075 ( -3.525 -1.149 3.279) 4.949 3.090 ( -0.169 -3.869 0.111) 3.874 3.250 ( -4.214 -1.112 2.218) 4.890 3.290 ( 0.123 -1.917 2.355) 3.039 3.365 ( 5.203 -2.808 -8.880) 10.668 3.486 ( -0.592 -1.241 -1.103) 1.763 3.503 ( -5.644 1.975 4.093) 7.247 3.576 ( 4.439 -6.363 -2.062) 8.027 3.632 ( 2.201 -8.502 0.131) 8.784 3.721 ( 0.354 -3.631 -0.509) 3.684 3.784 ( -5.866 -1.500 -1.407) 6.216 3.865 ( -7.627 -5.622 4.227) 10.375 3.956 ( 1.884 -1.405 3.285) 4.039 3.997 ( 8.619 -3.110 4.148) 10.058 4.076 ( 2.753 -7.239 -2.812) 8.240 4.253 ( 3.012 -8.030 2.722) 8.998 4.314 ( 5.470 -5.069 -1.328) 7.575 4.389 ( 0.877 0.405 5.105) 5.196 4.461 ( -0.821 -0.142 7.810) 7.854 4.546 ( 5.557 -2.073 -4.633) 7.526 4.626 ( -3.900 -6.482 -0.664) 7.594 4.709 ( -3.217 -5.073 6.066) 8.537 4.833 ( 0.384 -7.934 1.195) 8.033 4.873 ( 0.091 -8.116 -3.286) 8.756 4.917 ( -0.034 -3.827 -3.044) 4.890 4.968 ( 0.119 -10.926 2.680) 11.251 5.163 ( 0.003 -0.969 2.089) 2.302 5.178 ( -1.476 -3.657 -0.891) 4.043 5.229 ( 3.616 -4.169 4.028) 6.832 5.377 ( -3.826 0.872 -6.323) 7.442 5.417 ( -7.154 -3.593 -1.945) 8.238 5.455 ( 1.693 0.978 -7.859) 8.098 5.516 ( -1.210 -0.850 -6.949) 7.104 5.614 ( -1.327 -1.258 -3.147) 3.640 5.667 ( -1.338 -3.965 -3.332) 5.349 5.718 ( -3.902 1.803 1.057) 4.426 5.806 ( -1.394 3.595 2.545) 4.620 5.867 ( 3.537 2.832 -5.688) 7.272 5.933 ( 3.429 3.545 1.358) 5.116 5.969 ( 0.246 -5.997 5.877) 8.400 6.013 ( 4.166 -5.003 2.625) 7.019 6.178 ( 2.341 -5.565 3.470) 6.964 6.240 ( -2.501 -3.795 5.763) 7.339 6.241 ( 2.228 2.158 3.530) 4.699 6.345 ( 0.272 -4.563 -6.673) 8.089 6.411 ( -2.998 1.867 3.857) 5.230 6.461 ( 2.664 -8.161 -0.619) 8.607 6.512 ( -0.735 2.412 0.566) 2.584 6.647 ( -1.799 6.931 5.056) 8.765 6.714 ( -5.250 -1.843 0.451) 5.582 6.816 ( -8.087 -6.624 1.538) 10.566 6.851 ( -9.754 0.996 -3.820) 10.522 6.974 ( 1.911 -5.574 1.624) 6.112 7.040 ( 2.781 -1.702 -2.539) 4.133 7.136 ( -4.948 -2.779 1.786) 5.950 7.148 ( -0.900 3.574 3.300) 4.947 7.190 ( 7.593 -4.568 -4.095) 9.762 7.236 ( -2.242 0.033 -6.293) 6.681 7.355 ( -0.431 -0.534 1.433) 1.589 7.452 ( -0.385 -0.339 2.073) 2.135 7.534 ( 1.107 1.059 -0.894) 1.774 7.638 ( -2.006 -5.456 2.544) 6.345 7.672 ( 3.246 -3.669 -3.862) 6.238 7.758 ( 1.168 -0.700 -5.079) 5.258 7.870 ( -4.273 -1.121 -5.458) 7.022 7.948 ( -0.046 2.564 2.830) 3.819 7.988 ( 4.433 -2.372 0.522) 5.054 8.023 ( 5.331 4.716 0.118) 7.119 8.083 ( 1.270 7.211 -3.943) 8.317 8.153 ( 0.996 0.526 0.555) 1.256 8.376 ( 0.401 -3.452 3.457) 4.902 8.394 ( -1.516 -1.615 3.551) 4.185 8.557 ( 1.697 -2.163 3.199) 4.218 8.619 ( 5.314 -3.769 4.627) 7.991 8.640 ( 7.424 -1.519 5.045) 9.104 8.700 ( 0.344 -1.294 2.111) 2.500 8.837 ( 1.866 -0.051 0.581) 1.955 8.912 ( 0.959 -0.880 3.683) 3.907 9.006 ( -2.247 -3.268 0.316) 3.979 9.025 ( -0.819 4.161 -4.398) 6.110 9.089 ( -3.158 1.941 0.729) 3.778 9.214 ( -0.943 4.538 4.421) 6.405 9.221 ( -2.317 8.429 -4.741) 9.945 9.359 ( 2.805 0.192 -4.126) 4.992 9.414 ( 0.339 3.934 -9.495) 10.284 9.449 ( 0.357 11.728 -6.236) 13.288 9.634 ( 4.626 4.408 2.570) 6.887 9.686 ( 8.559 1.789 -0.741) 8.775 9.738 ( -0.776 1.290 2.428) 2.857 9.891 ( 6.437 9.559 -0.669) 11.544 9.913 ( -0.049 3.079 0.112) 3.082 9.978 ( -1.658 5.436 -0.029) 5.683 10.039 ( -3.419 6.429 3.185) 7.948 10.174 ( -4.563 5.509 -2.278) 7.507 10.204 ( -0.157 13.297 1.782) 13.416 10.383 ( -3.080 7.277 -3.288) 8.559 10.549 ( 3.590 8.348 2.306) 9.375 10.635 ( 0.494 7.626 -0.919) 7.697 10.813 ( -1.275 9.863 0.632) 9.965 10.841 ( -2.246 -0.152 2.544) 3.397 11.009 ( -1.289 4.492 1.461) 4.896 11.134 ( -0.399 -2.021 -0.753) 2.194 11.265 ( -1.045 6.024 -4.434) 7.553 11.354 ( 0.624 -4.195 2.853) 5.112 11.420 ( 0.971 -6.403 3.056) 7.161 11.484 ( -0.456 -2.787 -2.183) 3.569 11.503 ( -2.970 3.332 -3.464) 5.650 11.653 ( -6.768 -2.216 1.422) 7.262 11.826 ( 1.210 -4.978 4.189) 6.617 11.948 ( -0.725 -4.689 -2.585) 5.403 12.075 ( 5.588 -9.789 -1.919) 11.434 12.177 ( 5.637 -11.110 -0.414) 12.466 12.387 ( 1.549 -6.296 3.326) 7.287 12.421 ( 1.639 -3.942 -1.403) 4.494 12.449 ( 0.209 -1.839 -0.516) 1.921 12.585 ( -2.449 -14.087 0.106) 14.299 12.670 ( -4.152 -6.720 2.834) 8.393 12.705 ( -3.176 -4.728 -0.017) 5.696 13.343 ( 1.390 4.234 -1.295) 4.641 13.433 ( -1.512 4.908 0.228) 5.141 13.501 ( 0.770 4.978 -4.855) 6.996 13.583 ( -2.037 3.316 0.412) 3.913 13.696 ( -0.156 4.992 -0.946) 5.083 13.800 ( 0.920 7.830 -0.631) 7.909 13.905 ( 0.627 4.059 0.557) 4.145 13.928 ( -0.797 6.391 2.082) 6.768 14.008 ( 1.161 8.171 1.938) 8.478 14.027 ( -0.461 2.666 -0.618) 2.776 14.045 ( 1.006 5.964 1.830) 6.319 14.109 ( -0.379 6.508 2.177) 6.873 15.226 ( 3.572 -3.135 0.541) 4.783 15.286 ( 4.288 -2.094 -0.456) 4.794 15.319 ( 2.192 -1.529 -0.272) 2.686 15.364 ( 0.819 -5.582 1.441) 5.823 15.561 ( 0.921 -1.588 1.576) 2.420 15.715 ( -0.159 -2.159 1.120) 2.437 15.748 ( 0.987 -1.528 4.195) 4.573 15.855 ( 4.977 -6.871 -1.198) 8.568 15.986 ( -0.115 -0.426 0.454) 0.633 16.169 ( 14.301 -3.577 1.912) 14.865 16.471 ( -17.579 -7.854 -8.294) 20.965 16.818 ( -18.607 -16.237 -1.455) 24.738 18.247 ( 0.522 2.109 2.966) 3.677 18.360 ( 2.667 0.574 -4.085) 4.912 18.479 ( -2.012 4.142 -1.623) 4.882 18.536 ( -3.506 1.443 1.003) 3.922 18.688 ( 0.476 1.355 0.420) 1.496 18.707 ( 1.423 1.574 -1.640) 2.682 18.792 ( 2.426 -0.531 2.242) 3.346 18.869 ( 2.541 1.380 -0.663) 2.967 19.025 ( -3.089 -2.867 2.672) 4.991 19.056 ( -0.741 0.885 -2.030) 2.335 19.247 ( 0.396 -0.219 -0.127) 0.470 19.288 ( -0.548 -0.160 -0.389) 0.691 21.361 ( 2.790 -2.882 1.049) 4.146 21.521 ( -2.072 1.647 -3.406) 4.314 21.758 ( 3.889 -0.027 0.955) 4.004 21.845 ( -3.358 -1.336 3.445) 4.993 23.266 ( -1.598 -0.148 1.900) 2.487 23.366 ( -1.936 0.868 -1.993) 2.911 23.451 ( -1.503 -2.853 0.100) 3.226 23.473 ( -1.966 -1.994 -0.065) 2.801 23.726 ( 4.797 -0.136 0.417) 4.817 23.799 ( 4.840 -1.157 -0.281) 4.984 23.864 ( 0.516 -0.701 -2.438) 2.589 23.912 ( -2.371 -3.058 1.359) 4.101 ======================= Grid point 137 (62/70) ======================= q-point: (-0.50 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 0.620 10.598 -4.891) 11.688 1.965 ( -0.620 10.598 4.891) 11.688 2.044 ( -12.844 14.032 0.654) 19.034 2.044 ( 12.844 14.032 -0.654) 19.034 2.281 ( 3.873 5.235 -3.957) 7.620 2.281 ( -3.873 5.235 3.957) 7.620 2.515 ( -0.074 5.332 -5.484) 7.649 2.515 ( 0.074 5.332 5.484) 7.649 2.676 ( -1.908 -0.528 -3.286) 3.837 2.676 ( 1.908 -0.528 3.286) 3.837 2.723 ( -8.545 4.244 1.594) 9.673 2.723 ( 8.545 4.244 -1.594) 9.673 2.951 ( -0.981 3.102 -2.620) 4.177 2.951 ( 0.981 3.102 2.620) 4.177 3.091 ( -1.282 -7.863 -1.351) 8.080 3.091 ( 1.282 -7.863 1.351) 8.080 3.297 ( -2.171 2.212 -2.416) 3.930 3.297 ( 2.171 2.212 2.416) 3.930 3.374 ( 8.337 4.820 -7.139) 11.988 3.374 ( -8.337 4.820 7.139) 11.988 3.522 ( -1.578 -3.987 -7.324) 8.486 3.522 ( 1.578 -3.987 7.324) 8.486 3.721 ( -2.116 -6.869 -3.031) 7.801 3.721 ( 2.116 -6.869 3.031) 7.801 3.777 ( 4.245 -5.675 -2.656) 7.569 3.777 ( -4.245 -5.675 2.656) 7.569 3.990 ( 1.539 -5.627 -6.523) 8.751 3.990 ( -1.539 -5.627 6.523) 8.751 4.224 ( -5.423 -6.798 -1.097) 8.765 4.224 ( 5.423 -6.798 1.097) 8.765 4.438 ( -5.801 -3.026 -3.066) 7.226 4.438 ( 5.801 -3.026 3.066) 7.226 4.518 ( -2.545 2.960 -8.505) 9.358 4.518 ( 2.545 2.960 8.505) 9.358 4.682 ( -5.019 -3.948 -6.948) 9.437 4.682 ( 5.019 -3.948 6.948) 9.437 4.815 ( -0.154 -6.230 -4.037) 7.425 4.815 ( 0.154 -6.230 4.037) 7.425 4.924 ( -2.619 -9.488 -2.465) 10.146 4.924 ( 2.619 -9.488 2.465) 10.146 5.135 ( -3.247 -2.821 -0.533) 4.334 5.135 ( 3.247 -2.821 0.533) 4.334 5.313 ( -1.731 -0.777 -1.463) 2.396 5.313 ( 1.731 -0.777 1.463) 2.396 5.399 ( -2.095 -2.357 -0.822) 3.259 5.399 ( 2.095 -2.357 0.822) 3.259 5.505 ( -3.187 0.414 -7.144) 7.834 5.505 ( 3.187 0.414 7.144) 7.834 5.674 ( -2.036 -0.880 -1.854) 2.890 5.674 ( 2.036 -0.880 1.854) 2.890 5.775 ( 3.089 0.654 -3.428) 4.661 5.775 ( -3.089 0.654 3.428) 4.661 6.050 ( 2.182 -0.257 -5.644) 6.056 6.050 ( -2.182 -0.257 5.644) 6.056 6.164 ( -1.238 -2.135 -5.784) 6.288 6.164 ( 1.238 -2.135 5.784) 6.288 6.237 ( 1.401 -2.483 -7.135) 7.684 6.237 ( -1.401 -2.483 7.135) 7.684 6.403 ( -10.241 -3.856 -4.767) 11.936 6.403 ( 10.241 -3.856 4.767) 11.936 6.492 ( -2.848 -0.303 -5.282) 6.009 6.492 ( 2.848 -0.303 5.282) 6.009 6.626 ( -4.858 0.334 -1.645) 5.139 6.626 ( 4.858 0.334 1.645) 5.139 6.765 ( -0.293 -0.182 -5.709) 5.719 6.765 ( 0.293 -0.182 5.709) 5.719 7.028 ( -1.839 2.129 -0.654) 2.888 7.028 ( 1.839 2.129 0.654) 2.888 7.076 ( -0.745 -1.335 -5.221) 5.440 7.076 ( 0.745 -1.335 5.221) 5.440 7.244 ( -1.804 -2.461 -4.664) 5.574 7.244 ( 1.804 -2.461 4.664) 5.574 7.467 ( -11.068 -1.484 -9.140) 14.431 7.467 ( 11.068 -1.484 9.140) 14.431 7.532 ( -1.131 0.702 -3.777) 4.004 7.532 ( 1.131 0.702 3.777) 4.004 7.686 ( 0.942 -2.493 -7.227) 7.702 7.686 ( -0.942 -2.493 7.227) 7.702 7.855 ( -6.361 -3.628 -2.408) 7.709 7.855 ( 6.361 -3.628 2.408) 7.709 8.027 ( -0.449 2.195 -2.769) 3.562 8.027 ( 0.449 2.195 2.769) 3.562 8.203 ( -2.121 1.390 -0.406) 2.568 8.203 ( 2.121 1.390 0.406) 2.568 8.427 ( -4.328 -2.653 0.755) 5.132 8.427 ( 4.328 -2.653 -0.755) 5.132 8.603 ( -1.149 1.237 -7.752) 7.934 8.603 ( 1.149 1.237 7.752) 7.934 8.744 ( -0.284 -3.734 -3.326) 5.009 8.744 ( 0.284 -3.734 3.326) 5.009 8.926 ( -0.327 -2.872 -7.332) 7.881 8.926 ( 0.327 -2.872 7.332) 7.881 8.989 ( -7.344 1.127 0.611) 7.455 8.989 ( 7.344 1.127 -0.611) 7.455 9.085 ( -3.353 -1.868 -8.344) 9.185 9.085 ( 3.353 -1.868 8.344) 9.185 9.284 ( 0.118 9.307 -9.437) 13.255 9.284 ( -0.118 9.307 9.437) 13.255 9.384 ( 3.047 3.331 -4.263) 6.209 9.384 ( -3.047 3.331 4.263) 6.209 9.678 ( 1.031 2.487 -2.222) 3.491 9.678 ( -1.031 2.487 2.222) 3.491 9.917 ( -3.930 8.474 -1.840) 9.521 9.917 ( 3.930 8.474 1.840) 9.521 9.923 ( -0.902 -1.529 -4.509) 4.846 9.923 ( 0.902 -1.529 4.509) 4.846 10.064 ( -3.074 9.234 -2.824) 10.134 10.064 ( 3.074 9.234 2.824) 10.134 10.287 ( -4.861 9.630 -3.416) 11.315 10.287 ( 4.861 9.630 3.416) 11.315 10.623 ( 3.686 10.442 -5.276) 12.266 10.623 ( -3.686 10.442 5.276) 12.266 10.781 ( 2.413 8.127 -2.684) 8.892 10.781 ( -2.413 8.127 2.684) 8.892 11.092 ( -3.857 -0.223 -1.052) 4.004 11.092 ( 3.857 -0.223 1.052) 4.004 11.303 ( -8.078 4.558 -1.992) 9.487 11.303 ( 8.078 4.558 1.992) 9.487 11.429 ( -1.173 -0.595 -3.864) 4.082 11.429 ( 1.173 -0.595 3.864) 4.082 11.561 ( 0.061 -7.867 -5.879) 9.821 11.561 ( -0.061 -7.867 5.879) 9.821 11.896 ( -1.231 -2.161 -3.834) 4.570 11.896 ( 1.231 -2.161 3.834) 4.570 12.156 ( -3.174 -8.146 -2.282) 9.036 12.156 ( 3.174 -8.146 2.282) 9.036 12.415 ( 1.833 -7.526 -3.218) 8.388 12.415 ( -1.833 -7.526 3.218) 8.388 12.521 ( -3.280 -7.062 -2.294) 8.118 12.521 ( 3.280 -7.062 2.294) 8.118 12.664 ( -0.658 -7.165 -1.102) 7.279 12.664 ( 0.658 -7.165 1.102) 7.279 13.378 ( -1.189 1.979 -3.080) 3.850 13.378 ( 1.189 1.979 3.080) 3.850 13.521 ( -2.038 7.678 -0.979) 8.004 13.521 ( 2.038 7.678 0.979) 8.004 13.751 ( -4.089 4.925 -1.577) 6.593 13.751 ( 4.089 4.925 1.577) 6.593 13.923 ( 0.877 4.662 -1.764) 5.061 13.923 ( -0.877 4.662 1.764) 5.061 14.022 ( 0.840 3.705 -1.342) 4.029 14.022 ( -0.840 3.705 1.342) 4.029 14.099 ( -0.989 8.973 -1.919) 9.229 14.099 ( 0.989 8.973 1.919) 9.229 15.289 ( -2.322 -3.745 -1.031) 4.526 15.289 ( 2.322 -3.745 1.031) 4.526 15.357 ( 1.912 -2.866 -0.789) 3.535 15.357 ( -1.912 -2.866 0.789) 3.535 15.637 ( -3.610 -4.441 -2.738) 6.344 15.637 ( 3.610 -4.441 2.738) 6.344 15.882 ( 1.457 -5.967 -7.740) 9.881 15.882 ( -1.457 -5.967 7.740) 9.881 16.096 ( -11.509 0.589 -8.025) 14.043 16.096 ( 11.509 0.589 8.025) 14.043 16.475 ( -18.843 -8.441 -1.180) 20.681 16.475 ( 18.843 -8.441 1.180) 20.681 18.313 ( 0.059 2.121 -6.710) 7.038 18.313 ( -0.059 2.121 6.710) 7.038 18.485 ( 2.394 0.366 -1.839) 3.041 18.485 ( -2.394 0.366 1.839) 3.041 18.697 ( 2.213 1.164 -3.922) 4.652 18.697 ( -2.213 1.164 3.922) 4.652 18.861 ( -1.852 -0.046 -1.526) 2.400 18.861 ( 1.852 -0.046 1.526) 2.400 19.025 ( 1.476 0.311 -3.419) 3.737 19.025 ( -1.476 0.311 3.419) 3.737 19.264 ( -0.947 0.071 -0.769) 1.222 19.264 ( 0.947 0.071 0.769) 1.222 21.441 ( -2.430 -1.095 -3.847) 4.680 21.441 ( 2.430 -1.095 3.847) 4.680 21.815 ( 5.130 -1.651 -6.280) 8.275 21.815 ( -5.130 -1.651 6.280) 8.275 23.299 ( -1.455 0.034 -3.325) 3.630 23.299 ( 1.455 0.034 3.325) 3.630 23.448 ( -0.460 -2.727 -0.489) 2.808 23.448 ( 0.460 -2.727 0.489) 2.808 23.807 ( -2.825 0.337 -1.318) 3.136 23.807 ( 2.825 0.337 1.318) 3.136 23.877 ( 2.310 -2.147 -1.271) 3.400 23.877 ( -2.310 -2.147 1.271) 3.400 ======================= Grid point 141 (63/70) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -0.350 16.504 -10.200) 19.404 2.051 ( 0.350 16.504 10.200) 19.404 2.175 ( 4.831 15.628 -11.263) 19.860 2.175 ( -4.831 15.628 11.263) 19.860 2.474 ( -2.146 -2.586 -4.797) 5.857 2.474 ( 2.146 -2.586 4.797) 5.857 2.544 ( 1.462 -0.502 -4.704) 4.952 2.544 ( -1.462 -0.502 4.704) 4.952 2.784 ( -4.020 -2.678 -0.947) 4.922 2.784 ( 4.020 -2.678 0.947) 4.922 2.973 ( 3.597 -0.767 -2.977) 4.732 2.973 ( -3.597 -0.767 2.977) 4.732 3.007 ( 1.435 5.209 -2.806) 6.088 3.007 ( -1.435 5.209 2.806) 6.088 3.186 ( -5.062 -4.089 -1.991) 6.805 3.186 ( 5.062 -4.089 1.991) 6.805 3.245 ( 4.400 -6.456 -3.806) 8.691 3.245 ( -4.400 -6.456 3.806) 8.691 3.337 ( -9.593 -2.788 -5.078) 11.207 3.337 ( 9.593 -2.788 5.078) 11.207 3.513 ( 2.244 3.382 -3.099) 5.107 3.513 ( -2.244 3.382 3.099) 5.107 3.657 ( 3.897 4.145 -5.191) 7.702 3.657 ( -3.897 4.145 5.191) 7.702 3.853 ( 2.198 4.746 -6.201) 8.112 3.853 ( -2.198 4.746 6.201) 8.112 3.947 ( -4.965 -6.573 -2.822) 8.707 3.947 ( 4.965 -6.573 2.822) 8.707 4.070 ( -2.107 -1.548 -2.154) 3.388 4.070 ( 2.107 -1.548 2.154) 3.388 4.192 ( -4.136 -6.791 -3.749) 8.791 4.192 ( 4.136 -6.791 3.749) 8.791 4.419 ( 4.668 -3.355 -3.645) 6.807 4.419 ( -4.668 -3.355 3.645) 6.807 4.557 ( 1.290 -6.809 -1.826) 7.166 4.557 ( -1.290 -6.809 1.826) 7.166 4.732 ( -11.938 -0.494 -5.004) 12.954 4.732 ( 11.938 -0.494 5.004) 12.954 4.877 ( -6.868 -1.418 1.127) 7.102 4.877 ( 6.868 -1.418 -1.127) 7.102 4.950 ( -2.050 -1.603 -8.683) 9.064 4.950 ( 2.050 -1.603 8.683) 9.064 5.286 ( -3.848 -5.360 -3.776) 7.603 5.286 ( 3.848 -5.360 3.776) 7.603 5.354 ( -3.672 0.919 -8.249) 9.076 5.354 ( 3.672 0.919 8.249) 9.076 5.518 ( 2.233 -0.695 -8.514) 8.829 5.518 ( -2.233 -0.695 8.514) 8.829 5.566 ( 3.635 -4.034 -9.335) 10.799 5.566 ( -3.635 -4.034 9.335) 10.799 5.768 ( -2.739 -3.130 -4.531) 6.150 5.768 ( 2.739 -3.130 4.531) 6.150 5.833 ( 2.169 -2.322 -7.795) 8.417 5.833 ( -2.169 -2.322 7.795) 8.417 6.051 ( 0.960 -3.794 -3.158) 5.029 6.051 ( -0.960 -3.794 3.158) 5.029 6.196 ( 0.805 -7.546 -5.061) 9.121 6.196 ( -0.805 -7.546 5.061) 9.121 6.413 ( -6.202 0.325 -3.702) 7.230 6.413 ( 6.202 0.325 3.702) 7.230 6.510 ( 6.898 -3.603 -3.923) 8.715 6.510 ( -6.898 -3.603 3.923) 8.715 6.724 ( -0.706 -0.873 -0.041) 1.123 6.724 ( 0.706 -0.873 0.041) 1.123 6.889 ( -5.476 0.663 -0.010) 5.516 6.889 ( 5.476 0.663 0.010) 5.516 7.016 ( -6.429 1.201 -3.923) 7.627 7.016 ( 6.429 1.201 3.923) 7.627 7.154 ( -2.564 1.161 -3.939) 4.841 7.154 ( 2.564 1.161 3.939) 4.841 7.277 ( -6.374 -0.591 -5.499) 8.439 7.277 ( 6.374 -0.591 5.499) 8.439 7.476 ( -3.087 -0.300 -4.518) 5.480 7.476 ( 3.087 -0.300 4.518) 5.480 7.524 ( -2.942 -0.639 -9.469) 9.936 7.524 ( 2.942 -0.639 9.469) 9.936 7.671 ( -4.464 -1.867 -4.005) 6.281 7.671 ( 4.464 -1.867 4.005) 6.281 7.783 ( -6.516 -0.268 0.400) 6.534 7.783 ( 6.516 -0.268 -0.400) 6.534 8.040 ( -2.881 -1.942 -2.292) 4.162 8.040 ( 2.881 -1.942 2.292) 4.162 8.185 ( -2.496 1.936 -4.181) 5.240 8.185 ( 2.496 1.936 4.181) 5.240 8.297 ( 1.389 1.922 -4.802) 5.356 8.297 ( -1.389 1.922 4.802) 5.356 8.442 ( 1.800 -0.434 -2.447) 3.069 8.442 ( -1.800 -0.434 2.447) 3.069 8.727 ( -4.670 4.164 -1.818) 6.516 8.727 ( 4.670 4.164 1.818) 6.516 8.875 ( -3.405 -2.084 -1.571) 4.291 8.875 ( 3.405 -2.084 1.571) 4.291 9.046 ( -1.319 5.620 -5.177) 7.754 9.046 ( 1.319 5.620 5.177) 7.754 9.151 ( 1.709 4.625 -3.013) 5.779 9.151 ( -1.709 4.625 3.013) 5.779 9.338 ( -2.003 -2.383 -1.107) 3.304 9.338 ( 2.003 -2.383 1.107) 3.304 9.502 ( 4.249 4.649 -2.933) 6.948 9.502 ( -4.249 4.649 2.933) 6.948 9.751 ( -1.055 5.434 -2.597) 6.114 9.751 ( 1.055 5.434 2.597) 6.114 9.922 ( -1.767 3.803 -3.413) 5.407 9.922 ( 1.767 3.803 3.413) 5.407 10.091 ( 3.007 5.036 -3.105) 6.637 10.091 ( -3.007 5.036 3.105) 6.637 10.288 ( -8.585 2.826 -4.891) 10.277 10.288 ( 8.585 2.826 4.891) 10.277 10.487 ( 2.474 5.692 -3.342) 7.050 10.487 ( -2.474 5.692 3.342) 7.050 10.609 ( 2.670 4.974 -3.752) 6.778 10.609 ( -2.670 4.974 3.752) 6.778 10.882 ( -5.517 3.776 -6.517) 9.336 10.882 ( 5.517 3.776 6.517) 9.336 11.082 ( 2.989 -5.841 -5.372) 8.480 11.082 ( -2.989 -5.841 5.372) 8.480 11.241 ( 0.729 6.682 -4.275) 7.965 11.241 ( -0.729 6.682 4.275) 7.965 11.506 ( 1.368 -2.534 -6.501) 7.110 11.506 ( -1.368 -2.534 6.501) 7.110 11.601 ( -4.472 -8.622 0.268) 9.717 11.601 ( 4.472 -8.622 -0.268) 9.717 11.796 ( -1.645 -1.426 -3.307) 3.959 11.796 ( 1.645 -1.426 3.307) 3.959 11.917 ( -1.892 0.100 -2.239) 2.933 11.917 ( 1.892 0.100 2.239) 2.933 12.236 ( -0.101 0.150 -2.084) 2.091 12.236 ( 0.101 0.150 2.084) 2.091 12.414 ( 0.683 -10.216 -1.872) 10.409 12.414 ( -0.683 -10.216 1.872) 10.409 12.614 ( -0.301 -5.874 -5.836) 8.286 12.614 ( 0.301 -5.874 5.836) 8.286 13.516 ( 3.222 3.209 -6.455) 7.896 13.516 ( -3.222 3.209 6.455) 7.896 13.642 ( -1.442 0.006 -0.699) 1.603 13.642 ( 1.442 0.006 0.699) 1.603 13.811 ( -4.051 5.052 0.960) 6.546 13.811 ( 4.051 5.052 -0.960) 6.546 13.993 ( 2.384 1.869 -1.861) 3.556 13.993 ( -2.384 1.869 1.861) 3.556 14.087 ( -0.335 3.465 -3.231) 4.750 14.087 ( 0.335 3.465 3.231) 4.750 14.129 ( 2.018 4.013 -4.684) 6.490 14.129 ( -2.018 4.013 4.684) 6.490 15.175 ( -0.984 0.873 -2.459) 2.789 15.175 ( 0.984 0.873 2.459) 2.789 15.257 ( 0.806 0.153 -1.245) 1.491 15.257 ( -0.806 0.153 1.245) 1.491 15.678 ( -4.344 3.857 0.001) 5.809 15.678 ( 4.344 3.857 -0.001) 5.809 15.751 ( -4.961 -0.066 -0.045) 4.961 15.751 ( 4.961 -0.066 0.045) 4.961 15.915 ( 0.201 -1.534 -4.436) 4.698 15.915 ( -0.201 -1.534 4.436) 4.698 16.479 ( 7.104 -22.175 -4.605) 23.736 16.479 ( -7.104 -22.175 4.605) 23.736 18.497 ( 1.000 6.567 -2.011) 6.941 18.497 ( -1.000 6.567 2.011) 6.941 18.607 ( 0.763 2.988 -1.151) 3.292 18.607 ( -0.763 2.988 1.151) 3.292 18.657 ( -1.991 2.009 -0.119) 2.830 18.657 ( 1.991 2.009 0.119) 2.830 18.809 ( 1.953 1.357 -1.113) 2.626 18.809 ( -1.953 1.357 1.113) 2.626 19.010 ( 1.794 -5.381 -1.697) 5.921 19.010 ( -1.794 -5.381 1.697) 5.921 19.271 ( -1.232 1.163 -1.024) 1.980 19.271 ( 1.232 1.163 1.024) 1.980 21.429 ( -3.267 -1.156 -5.536) 6.532 21.429 ( 3.267 -1.156 5.536) 6.532 21.805 ( 3.092 -1.050 -2.974) 4.417 21.805 ( -3.092 -1.050 2.974) 4.417 23.417 ( -3.629 2.640 -0.950) 4.587 23.417 ( 3.629 2.640 0.950) 4.587 23.519 ( -1.456 0.185 -0.135) 1.474 23.519 ( 1.456 0.185 0.135) 1.474 23.582 ( -3.199 -2.555 -0.983) 4.211 23.582 ( 3.199 -2.555 0.983) 4.211 23.811 ( 0.904 -5.185 -1.999) 5.630 23.811 ( -0.904 -5.185 1.999) 5.630 ======================= Grid point 143 (64/70) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 3.908 19.821 -3.615) 20.524 2.146 ( 1.472 10.697 4.676) 11.767 2.176 ( 6.641 16.521 -7.725) 19.409 2.252 ( -0.907 5.679 3.552) 6.760 2.397 ( -0.590 0.219 0.368) 0.729 2.474 ( -4.678 1.566 -1.067) 5.047 2.534 ( 1.137 2.015 0.308) 2.334 2.599 ( -0.968 1.011 4.647) 4.853 2.660 ( -5.450 -1.656 0.049) 5.696 2.787 ( -3.024 -0.109 -1.775) 3.508 2.884 ( -7.852 6.357 1.152) 10.168 2.958 ( 1.580 -6.611 -5.101) 8.498 3.020 ( -1.597 -0.100 -5.512) 5.739 3.050 ( 0.397 1.327 1.898) 2.350 3.080 ( -3.385 -2.614 -0.361) 4.293 3.146 ( -2.020 -2.847 -1.134) 3.671 3.201 ( -1.146 -3.734 0.171) 3.909 3.281 ( 2.719 -1.756 1.772) 3.689 3.332 ( 6.783 -7.081 -3.821) 10.524 3.449 ( -3.609 -1.166 1.811) 4.203 3.487 ( -1.172 0.648 0.928) 1.630 3.543 ( 1.394 5.520 1.684) 5.937 3.614 ( -4.185 0.482 0.803) 4.288 3.728 ( 4.114 -3.357 -4.030) 6.666 3.751 ( -10.456 -5.273 2.789) 12.038 3.841 ( 1.745 1.760 1.540) 2.918 3.886 ( -3.013 1.356 -0.346) 3.322 3.952 ( -6.479 -7.485 1.579) 10.025 3.997 ( -1.348 0.602 -2.116) 2.580 4.091 ( 6.301 -6.596 -2.302) 9.408 4.134 ( -4.708 -0.393 0.839) 4.798 4.272 ( -4.744 -3.237 2.928) 6.446 4.402 ( -1.081 -8.427 1.815) 8.688 4.423 ( 0.679 -3.161 2.258) 3.944 4.520 ( 3.523 -7.846 4.057) 9.510 4.601 ( 1.509 4.363 -2.490) 5.246 4.677 ( 6.582 -8.510 0.692) 10.781 4.735 ( -0.928 4.602 -4.744) 6.674 4.882 ( -0.986 -0.775 4.580) 4.748 4.928 ( 5.862 2.106 -3.871) 7.334 4.956 ( 2.916 -2.822 1.533) 4.338 5.121 ( -3.960 -9.174 -7.747) 12.644 5.197 ( 0.601 -4.170 6.252) 7.539 5.314 ( 6.535 0.372 -2.536) 7.019 5.393 ( 4.111 -3.201 5.621) 7.664 5.466 ( 7.669 -2.932 -9.358) 12.449 5.522 ( -2.015 2.070 -0.130) 2.891 5.558 ( 0.877 -5.635 -1.361) 5.863 5.602 ( 8.194 2.251 7.313) 11.211 5.706 ( 2.259 -4.795 4.694) 7.080 5.743 ( 3.422 -0.752 3.433) 4.905 5.787 ( 6.331 -3.409 -6.963) 10.010 5.876 ( -0.923 0.921 0.908) 1.588 5.922 ( 3.455 -2.225 7.835) 8.847 5.986 ( -5.080 -3.580 -0.975) 6.291 6.066 ( 3.224 -4.500 1.588) 5.759 6.149 ( -6.092 -8.028 -1.775) 10.233 6.229 ( 1.284 -0.743 2.079) 2.554 6.293 ( -0.160 -0.232 -1.864) 1.885 6.367 ( -11.629 -1.502 0.981) 11.767 6.508 ( 3.310 4.172 -3.367) 6.301 6.554 ( 3.629 -5.859 -1.573) 7.069 6.688 ( 0.216 -0.359 -2.739) 2.771 6.755 ( -4.223 -1.341 3.392) 5.580 6.783 ( -6.164 1.527 6.858) 9.347 6.859 ( -6.849 -6.534 -0.951) 9.513 6.959 ( 4.255 1.096 -3.016) 5.330 7.020 ( -9.001 -0.545 0.925) 9.065 7.083 ( -2.380 -2.327 -9.612) 10.172 7.132 ( 1.795 1.229 0.283) 2.193 7.229 ( -0.496 -0.773 -0.993) 1.353 7.354 ( -1.852 2.427 -2.031) 3.667 7.364 ( -1.866 2.682 -0.946) 3.402 7.469 ( 1.700 -4.113 0.542) 4.483 7.518 ( -2.686 -2.239 -0.559) 3.541 7.575 ( -1.667 4.589 4.337) 6.530 7.631 ( -1.460 0.180 3.841) 4.113 7.693 ( -2.378 -0.007 -0.890) 2.539 7.823 ( 7.872 -2.074 0.637) 8.166 7.882 ( 6.508 -3.582 -1.515) 7.582 7.978 ( -1.099 -4.706 -1.586) 5.086 8.076 ( -7.340 2.817 -3.367) 8.553 8.103 ( 4.050 -3.426 -1.088) 5.415 8.271 ( 2.403 -0.098 1.614) 2.896 8.303 ( 0.845 2.189 -0.750) 2.464 8.382 ( 4.818 -1.434 7.092) 8.692 8.441 ( 2.244 1.143 4.876) 5.488 8.511 ( 0.199 3.440 -0.802) 3.538 8.549 ( -3.475 3.243 -6.939) 8.411 8.747 ( 0.569 4.174 -3.959) 5.781 8.832 ( -1.354 -1.178 1.432) 2.296 8.889 ( -6.527 -3.054 -1.229) 7.310 8.960 ( -0.034 2.961 0.437) 2.993 9.136 ( 2.298 5.025 6.521) 8.548 9.175 ( -0.933 0.299 0.351) 1.041 9.220 ( 3.664 -2.724 1.180) 4.716 9.294 ( -1.571 1.161 0.963) 2.178 9.411 ( 2.156 2.638 0.935) 3.533 9.491 ( 3.835 4.793 -2.512) 6.632 9.565 ( 2.446 5.163 -0.117) 5.714 9.694 ( -2.630 6.044 -0.540) 6.613 9.765 ( -2.425 2.467 1.977) 3.985 9.856 ( 0.800 3.714 -3.749) 5.338 9.956 ( 1.720 6.810 -3.764) 7.969 10.045 ( -4.890 -1.069 3.033) 5.852 10.098 ( -0.026 5.631 -3.912) 6.856 10.166 ( 0.407 7.170 -0.044) 7.182 10.417 ( 0.357 3.507 -0.475) 3.557 10.459 ( -1.754 8.066 0.349) 8.262 10.553 ( 3.228 6.958 5.433) 9.400 10.620 ( 3.239 8.167 -2.464) 9.125 10.665 ( 5.117 -0.627 2.900) 5.915 10.768 ( 1.825 12.799 -4.717) 13.762 10.980 ( -3.295 -2.305 3.767) 5.511 11.080 ( -0.430 -2.206 3.815) 4.428 11.125 ( 3.791 -4.248 -0.506) 5.716 11.174 ( -3.232 4.204 -0.158) 5.305 11.323 ( 5.467 2.888 -1.393) 6.338 11.413 ( -1.704 -1.663 -8.292) 8.627 11.481 ( -5.072 -3.451 2.994) 6.826 11.602 ( -0.201 -4.974 3.254) 5.947 11.667 ( 1.692 -9.925 -3.140) 10.547 11.718 ( 0.060 2.003 -1.192) 2.332 11.828 ( -0.738 -1.360 1.923) 2.468 11.871 ( -0.657 -4.189 0.195) 4.245 11.993 ( 4.847 3.317 -2.773) 6.495 12.242 ( 2.194 -1.182 0.368) 2.520 12.291 ( 2.380 -1.530 3.047) 4.158 12.364 ( -4.118 -11.361 0.701) 12.104 12.440 ( 0.125 -6.918 1.868) 7.167 12.518 ( -3.349 -7.592 -4.195) 9.299 12.682 ( -0.448 -4.336 4.117) 5.996 13.475 ( 0.494 4.219 -5.431) 6.895 13.516 ( -2.066 1.550 1.225) 2.859 13.604 ( -0.020 1.401 -2.362) 2.747 13.650 ( 0.731 0.691 -2.724) 2.904 13.769 ( -3.602 3.842 4.119) 6.686 13.885 ( 3.596 3.775 -0.654) 5.254 13.976 ( -2.296 0.282 2.613) 3.490 14.035 ( 0.131 -1.334 -1.449) 1.974 14.037 ( 1.681 6.799 -2.375) 7.396 14.119 ( 1.953 4.230 -2.775) 5.423 14.134 ( 0.640 5.440 3.953) 6.755 14.171 ( 0.518 4.448 5.208) 6.869 15.148 ( 0.774 -0.010 -1.241) 1.462 15.216 ( 0.720 0.316 1.409) 1.614 15.259 ( 1.504 -1.877 -1.202) 2.689 15.265 ( 0.503 -0.202 0.640) 0.839 15.599 ( -4.614 1.104 -0.158) 4.747 15.685 ( -0.798 1.179 0.039) 1.424 15.737 ( -1.148 -1.994 -2.585) 3.460 15.761 ( 0.365 1.239 -0.263) 1.318 15.945 ( 3.073 -1.240 2.217) 3.987 15.960 ( 5.691 1.046 -0.416) 5.801 16.393 ( -7.935 -17.233 5.932) 19.878 16.586 ( 4.855 -20.130 -3.250) 20.961 18.385 ( -6.911 6.582 -0.172) 9.545 18.442 ( -4.592 4.505 0.894) 6.495 18.587 ( -3.797 0.982 0.041) 3.922 18.644 ( 0.221 2.285 -1.773) 2.900 18.693 ( 4.920 2.621 -0.414) 5.590 18.714 ( 3.820 3.987 0.137) 5.523 18.774 ( -3.086 0.212 1.093) 3.281 18.830 ( 3.093 -0.222 -1.392) 3.399 18.991 ( -1.580 -2.233 1.980) 3.377 19.033 ( 1.383 -4.721 -0.331) 4.931 19.247 ( -0.454 0.758 -0.435) 0.985 19.304 ( 1.384 1.419 0.363) 2.015 21.326 ( -1.345 -0.181 -4.053) 4.274 21.521 ( 0.998 -3.762 1.722) 4.256 21.749 ( -3.412 0.825 2.370) 4.236 21.831 ( 0.415 -1.940 -0.845) 2.156 23.329 ( -5.131 2.020 0.400) 5.529 23.434 ( -1.707 1.117 -0.280) 2.059 23.461 ( -4.508 -0.822 -0.452) 4.605 23.486 ( -2.742 -1.102 0.068) 2.956 23.623 ( 5.928 -0.287 0.069) 5.935 23.676 ( 5.915 -1.688 -0.142) 6.153 23.822 ( 2.671 -3.368 -1.684) 4.616 23.828 ( 0.134 -5.289 1.320) 5.453 ======================= Grid point 144 (65/70) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 3.760 11.179 2.501) 12.056 2.173 ( 0.562 7.239 -3.114) 7.900 2.228 ( 3.232 11.872 -0.255) 12.306 2.278 ( 10.401 5.996 -7.653) 14.238 2.373 ( -2.056 3.667 4.880) 6.441 2.451 ( -0.705 2.408 3.010) 3.919 2.529 ( -5.244 7.406 2.145) 9.325 2.599 ( 0.191 5.934 1.856) 6.221 2.642 ( -1.433 -2.191 0.516) 2.669 2.728 ( -0.106 3.629 -0.670) 3.691 2.795 ( -4.983 5.002 1.617) 7.243 2.828 ( -4.284 -8.229 -4.042) 10.120 2.935 ( 0.171 -6.256 -4.787) 7.879 3.017 ( -6.881 -2.340 0.693) 7.301 3.067 ( -2.113 2.354 -0.600) 3.220 3.130 ( -1.054 0.140 1.518) 1.854 3.228 ( -3.170 1.002 4.883) 5.907 3.282 ( 2.854 -3.870 -1.430) 5.017 3.367 ( 4.059 -4.147 -5.000) 7.660 3.439 ( -0.152 -6.157 -2.087) 6.503 3.461 ( -4.969 1.482 -0.214) 5.190 3.510 ( -3.205 -2.501 3.104) 5.115 3.573 ( 1.324 0.196 -1.050) 1.701 3.648 ( -1.943 -3.399 -2.591) 4.695 3.718 ( 0.177 -10.498 -0.440) 10.509 3.774 ( -3.119 -3.011 0.347) 4.349 3.820 ( -7.162 0.872 4.040) 8.269 3.964 ( -3.534 -0.607 1.085) 3.746 4.026 ( -2.591 -6.628 2.435) 7.521 4.060 ( 6.262 -3.867 2.423) 7.748 4.217 ( 6.189 -3.560 -1.701) 7.340 4.304 ( 3.577 -8.855 1.620) 9.686 4.406 ( 0.733 -5.882 2.736) 6.528 4.484 ( 3.670 -5.190 -3.181) 7.109 4.558 ( 0.258 0.646 0.853) 1.100 4.655 ( -5.091 -3.856 -3.361) 7.216 4.696 ( 1.956 1.639 7.614) 8.030 4.786 ( 5.846 -3.526 -2.681) 7.334 4.811 ( -2.904 -2.691 -1.358) 4.186 4.931 ( 2.374 1.812 -5.880) 6.595 5.072 ( 3.844 -3.522 3.360) 6.203 5.146 ( -3.205 -1.613 -0.794) 3.675 5.189 ( 7.542 1.443 7.816) 10.957 5.345 ( 0.112 -2.344 -0.980) 2.543 5.422 ( -1.138 2.117 -8.481) 8.815 5.433 ( -0.135 -1.997 0.118) 2.005 5.509 ( -4.577 -2.186 -1.804) 5.384 5.604 ( -1.067 0.453 0.767) 1.390 5.653 ( 5.361 -1.481 -10.348) 11.748 5.736 ( -2.888 -3.008 0.671) 4.224 5.761 ( 1.949 -0.765 1.100) 2.365 5.871 ( -4.608 -4.784 1.511) 6.812 5.918 ( 6.242 3.492 -0.821) 7.200 5.970 ( 1.553 2.893 -1.342) 3.547 6.034 ( 3.939 -4.937 0.431) 6.330 6.057 ( -2.858 2.035 -0.475) 3.541 6.115 ( 0.847 -0.034 6.799) 6.852 6.211 ( 3.753 -3.721 4.226) 6.766 6.332 ( 0.589 0.610 -2.600) 2.735 6.354 ( 2.453 -2.656 3.569) 5.080 6.494 ( 1.050 2.896 -1.802) 3.569 6.569 ( -0.520 1.485 -1.524) 2.191 6.675 ( 1.618 -2.126 0.573) 2.732 6.715 ( -8.158 -1.958 3.842) 9.228 6.792 ( -3.283 1.968 8.576) 9.391 6.830 ( -0.743 -1.738 5.596) 5.906 6.880 ( -6.742 -1.354 3.167) 7.571 6.962 ( 2.008 -8.563 -4.784) 10.012 7.030 ( 5.843 -1.868 -2.127) 6.492 7.133 ( -0.220 -0.649 -7.049) 7.083 7.189 ( 1.208 -0.443 2.287) 2.624 7.216 ( -7.675 -1.153 -3.500) 8.514 7.337 ( -5.230 0.125 -1.207) 5.369 7.409 ( 0.165 -3.436 -1.302) 3.678 7.554 ( -1.604 0.173 3.197) 3.581 7.587 ( -1.152 0.647 3.002) 3.280 7.633 ( -2.062 1.844 -0.028) 2.766 7.720 ( 3.236 -4.052 -3.696) 6.368 7.852 ( -4.178 1.449 -2.683) 5.173 7.921 ( 3.492 -6.213 -6.080) 9.369 7.956 ( 1.809 -6.087 2.348) 6.770 8.008 ( 4.075 -0.043 1.929) 4.508 8.140 ( -4.355 0.831 -11.292) 12.131 8.247 ( 4.340 -4.862 6.171) 8.975 8.312 ( -4.851 4.975 -2.675) 7.446 8.384 ( 4.398 4.535 4.587) 7.807 8.545 ( 3.568 -3.491 7.529) 9.034 8.579 ( 1.400 0.311 -1.468) 2.052 8.639 ( 5.467 0.523 4.381) 7.025 8.713 ( -4.773 0.757 1.217) 4.983 8.825 ( 0.674 -2.000 2.758) 3.473 8.865 ( 3.597 -0.533 -0.589) 3.684 8.919 ( -1.337 -3.068 -1.302) 3.592 9.050 ( -4.949 -1.303 -6.289) 8.108 9.180 ( -3.543 4.867 0.854) 6.080 9.225 ( -0.326 -3.986 -2.172) 4.551 9.359 ( -1.718 0.390 -2.085) 2.729 9.385 ( 3.954 3.918 -0.616) 5.600 9.484 ( -5.952 6.978 -2.846) 9.603 9.604 ( 0.673 3.075 1.296) 3.404 9.725 ( 9.269 6.642 2.769) 11.735 9.746 ( -2.482 2.388 0.971) 3.578 9.819 ( -0.671 5.611 -4.757) 7.387 9.941 ( -0.832 -1.331 1.383) 2.092 9.996 ( -3.387 4.211 2.874) 6.121 10.102 ( 3.239 5.445 -3.611) 7.292 10.200 ( 1.551 8.515 1.594) 8.801 10.348 ( -4.556 9.336 -0.638) 10.408 10.491 ( 2.974 13.943 1.945) 14.389 10.605 ( 3.973 12.707 -5.036) 14.234 10.696 ( 2.026 4.378 4.616) 6.676 10.775 ( 1.627 1.522 2.461) 3.319 10.813 ( 5.412 8.032 -2.312) 9.957 10.999 ( 2.048 -3.898 5.123) 6.756 11.038 ( -5.041 8.220 -2.201) 9.891 11.124 ( -2.428 -1.169 2.728) 3.834 11.226 ( 3.884 -5.553 3.082) 7.444 11.281 ( -0.596 -2.241 -6.594) 6.990 11.385 ( 2.605 -0.970 -3.080) 4.148 11.423 ( -6.883 -4.963 2.765) 8.925 11.583 ( 0.053 1.490 -2.647) 3.038 11.654 ( -1.299 -1.963 -0.602) 2.430 11.735 ( 2.028 0.621 0.179) 2.129 11.837 ( -0.947 -5.985 0.436) 6.075 11.911 ( 3.581 -3.702 3.338) 6.137 12.036 ( 5.234 -0.375 -4.265) 6.762 12.288 ( -3.006 -11.836 0.095) 12.212 12.308 ( 0.749 -1.808 3.011) 3.591 12.361 ( 0.708 -4.102 2.272) 4.743 12.392 ( -4.091 -4.523 -3.835) 7.204 12.499 ( 3.148 -5.790 2.090) 6.914 12.676 ( -4.135 -2.714 1.544) 5.182 13.426 ( -0.216 3.583 -2.673) 4.475 13.474 ( -1.314 0.835 -3.261) 3.614 13.601 ( 1.201 3.422 -0.235) 3.634 13.632 ( 0.151 1.558 -0.388) 1.613 13.768 ( -0.977 3.164 2.549) 4.179 13.906 ( 1.044 2.262 -3.431) 4.240 13.958 ( -2.043 0.500 0.227) 2.116 13.981 ( -1.682 0.300 0.488) 1.777 14.072 ( 1.362 3.655 0.021) 3.901 14.114 ( 0.803 3.552 -2.278) 4.296 14.212 ( 1.783 6.965 4.894) 8.697 14.248 ( 1.609 5.746 3.132) 6.739 15.173 ( 2.368 -1.763 0.231) 2.962 15.239 ( 0.765 -2.267 -0.536) 2.452 15.267 ( 1.392 -3.145 -0.456) 3.469 15.291 ( -0.069 -1.995 2.032) 2.848 15.543 ( -1.588 -0.245 0.711) 1.757 15.637 ( -2.820 -3.569 -2.663) 5.271 15.732 ( 0.745 -1.058 4.922) 5.089 15.785 ( 1.325 -0.688 -0.449) 1.559 15.990 ( 2.456 1.250 1.608) 3.190 16.125 ( 11.477 -0.716 -0.769) 11.525 16.295 ( -8.833 -7.912 0.417) 11.866 16.518 ( -6.141 -13.557 -5.305) 15.800 18.318 ( -1.151 4.412 1.068) 4.683 18.397 ( -0.975 2.778 -0.927) 3.087 18.519 ( -2.801 0.491 -1.142) 3.065 18.578 ( -6.087 1.014 0.405) 6.184 18.711 ( 1.319 -0.312 -3.099) 3.382 18.733 ( -2.167 0.264 0.666) 2.283 18.793 ( 3.542 1.906 1.413) 4.263 18.879 ( 1.308 1.012 0.267) 1.675 19.009 ( 2.111 -0.190 0.169) 2.127 19.051 ( -0.280 -1.088 1.499) 1.874 19.249 ( 0.489 1.130 0.916) 1.535 19.314 ( 0.197 1.906 -1.399) 2.373 21.310 ( 1.691 -1.736 0.898) 2.584 21.486 ( -3.179 -4.293 -2.674) 5.974 21.760 ( 2.054 0.145 -0.172) 2.066 21.812 ( -3.092 -1.641 2.285) 4.180 23.277 ( -2.525 1.343 2.665) 3.909 23.376 ( -2.763 -0.344 -2.737) 3.904 23.402 ( -1.726 -1.372 0.433) 2.247 23.437 ( -2.389 -1.316 -0.687) 2.813 23.729 ( 5.247 0.593 1.022) 5.379 23.764 ( 4.857 -2.103 -0.926) 5.373 23.836 ( -0.899 -4.190 1.088) 4.422 23.842 ( 0.981 -1.631 -1.252) 2.279 ======================= Grid point 145 (66/70) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( 1.420 3.168 -3.936) 5.249 2.121 ( -1.420 3.168 3.936) 5.249 2.325 ( 9.356 12.010 -5.839) 16.305 2.325 ( -9.356 12.010 5.839) 16.305 2.400 ( 2.494 8.499 -2.149) 9.114 2.400 ( -2.494 8.499 2.149) 9.114 2.587 ( -2.355 -1.480 -3.554) 4.513 2.587 ( 2.355 -1.480 3.554) 4.513 2.658 ( -2.337 1.173 -1.864) 3.211 2.658 ( 2.337 1.173 1.864) 3.211 2.795 ( -0.396 3.270 -2.340) 4.040 2.795 ( 0.396 3.270 2.340) 4.040 2.893 ( 2.310 -4.582 -2.047) 5.524 2.893 ( -2.310 -4.582 2.047) 5.524 3.084 ( -3.532 3.540 0.090) 5.001 3.084 ( 3.532 3.540 -0.090) 5.001 3.267 ( -3.979 -3.748 -5.435) 7.708 3.267 ( 3.979 -3.748 5.435) 7.708 3.384 ( -2.551 -7.579 -1.062) 8.067 3.384 ( 2.551 -7.579 1.062) 8.067 3.478 ( 2.233 2.315 -4.891) 5.853 3.478 ( -2.233 2.315 4.891) 5.853 3.592 ( -0.597 -5.874 -2.433) 6.385 3.592 ( 0.597 -5.874 2.433) 6.385 3.744 ( 5.060 -2.857 -5.090) 7.725 3.744 ( -5.060 -2.857 5.090) 7.725 3.854 ( -4.126 -2.572 -5.007) 6.979 3.854 ( 4.126 -2.572 5.007) 6.979 4.075 ( -2.465 -8.855 -1.185) 9.268 4.075 ( 2.465 -8.855 1.185) 9.268 4.321 ( -2.546 -3.220 -2.792) 4.964 4.321 ( 2.546 -3.220 2.792) 4.964 4.485 ( 6.125 -6.550 -8.107) 12.089 4.485 ( -6.125 -6.550 8.107) 12.089 4.530 ( -4.956 -7.040 -4.889) 9.901 4.530 ( 4.956 -7.040 4.889) 9.901 4.785 ( 1.219 -3.328 -6.587) 7.480 4.785 ( -1.219 -3.328 6.587) 7.480 4.864 ( -1.988 4.630 -4.768) 6.937 4.864 ( 1.988 4.630 4.768) 6.937 5.164 ( 1.903 3.037 -5.809) 6.826 5.164 ( -1.903 3.037 5.809) 6.826 5.297 ( -0.060 0.413 -1.524) 1.580 5.297 ( 0.060 0.413 1.524) 1.580 5.363 ( -3.375 -0.462 -3.466) 4.860 5.363 ( 3.375 -0.462 3.466) 4.860 5.536 ( -1.459 0.470 -7.656) 7.808 5.536 ( 1.459 0.470 7.656) 7.808 5.671 ( -0.131 -2.515 -7.046) 7.483 5.671 ( 0.131 -2.515 7.046) 7.483 5.756 ( -0.921 1.906 -1.303) 2.486 5.756 ( 0.921 1.906 1.303) 2.486 5.971 ( -1.524 -3.554 -9.045) 9.837 5.971 ( 1.524 -3.554 9.045) 9.837 6.147 ( -1.725 -1.436 -2.826) 3.609 6.147 ( 1.725 -1.436 2.826) 3.609 6.195 ( 2.703 -0.403 -9.640) 10.020 6.195 ( -2.703 -0.403 9.640) 10.020 6.344 ( 0.232 -0.880 -7.361) 7.417 6.344 ( -0.232 -0.880 7.361) 7.417 6.513 ( 5.075 0.369 -3.075) 5.945 6.513 ( -5.075 0.369 3.075) 5.945 6.673 ( -0.681 3.783 -2.393) 4.528 6.673 ( 0.681 3.783 2.393) 4.528 6.811 ( 5.258 2.913 -6.890) 9.143 6.811 ( -5.258 2.913 6.890) 9.143 6.992 ( 1.658 -3.589 -1.590) 4.261 6.992 ( -1.658 -3.589 1.590) 4.261 7.064 ( 1.020 -1.775 -5.492) 5.861 7.064 ( -1.020 -1.775 5.492) 5.861 7.152 ( -4.700 -6.029 -4.638) 8.941 7.152 ( 4.700 -6.029 4.638) 8.941 7.339 ( -5.339 -4.422 -5.673) 8.958 7.339 ( 5.339 -4.422 5.673) 8.958 7.576 ( -0.179 -1.225 -2.927) 3.178 7.576 ( 0.179 -1.225 2.927) 3.178 7.631 ( -0.518 -0.181 -8.202) 8.220 7.631 ( 0.518 -0.181 8.202) 8.220 7.878 ( -4.365 4.748 -6.451) 9.122 7.878 ( 4.365 4.748 6.451) 9.122 7.990 ( 0.817 -7.448 -4.739) 8.866 7.990 ( -0.817 -7.448 4.739) 8.866 8.146 ( -3.963 -1.622 -5.971) 7.348 8.146 ( 3.963 -1.622 5.971) 7.348 8.482 ( -2.221 2.310 -2.908) 4.327 8.482 ( 2.221 2.310 2.908) 4.327 8.580 ( -6.485 -5.457 -0.887) 8.522 8.580 ( 6.485 -5.457 0.887) 8.522 8.665 ( -2.354 -0.026 -5.410) 5.901 8.665 ( 2.354 -0.026 5.410) 5.901 8.824 ( -0.938 -4.932 -7.533) 9.052 8.824 ( 0.938 -4.932 7.533) 9.052 9.046 ( -4.532 3.659 -0.292) 5.832 9.046 ( 4.532 3.659 0.292) 5.832 9.091 ( -3.600 0.003 -3.464) 4.996 9.091 ( 3.600 0.003 3.464) 4.996 9.377 ( 4.112 2.220 -4.943) 6.802 9.377 ( -4.112 2.220 4.943) 6.802 9.503 ( -7.392 5.666 -3.231) 9.859 9.503 ( 7.392 5.666 3.231) 9.859 9.749 ( 0.383 4.466 -5.354) 6.982 9.749 ( -0.383 4.466 5.354) 6.982 9.928 ( 2.682 2.001 -5.543) 6.475 9.928 ( -2.682 2.001 5.543) 6.475 10.019 ( 0.593 2.801 -10.021) 10.422 10.019 ( -0.593 2.801 10.021) 10.422 10.275 ( -2.145 10.360 -3.686) 11.203 10.275 ( 2.145 10.360 3.686) 11.203 10.576 ( -0.717 16.563 -5.206) 17.377 10.576 ( 0.717 16.563 5.206) 17.377 10.766 ( -2.409 3.288 -0.616) 4.123 10.766 ( 2.409 3.288 0.616) 4.123 10.902 ( -4.990 4.490 -2.675) 7.226 10.902 ( 4.990 4.490 2.675) 7.226 11.100 ( -2.575 1.632 -2.022) 3.659 11.100 ( 2.575 1.632 2.022) 3.659 11.295 ( 2.651 -3.224 -4.985) 6.501 11.295 ( -2.651 -3.224 4.985) 6.501 11.342 ( 1.690 -8.805 -8.648) 12.457 11.342 ( -1.690 -8.805 8.648) 12.457 11.599 ( -3.273 6.953 0.356) 7.693 11.599 ( 3.273 6.953 -0.356) 7.693 11.796 ( -1.146 -5.859 -2.558) 6.495 11.796 ( 1.146 -5.859 2.558) 6.495 12.024 ( -0.632 -4.192 -5.655) 7.067 12.024 ( 0.632 -4.192 5.655) 7.067 12.273 ( -1.452 -7.341 -1.740) 7.683 12.273 ( 1.452 -7.341 1.740) 7.683 12.372 ( -1.594 -3.179 0.298) 3.568 12.372 ( 1.594 -3.179 -0.298) 3.568 12.593 ( -3.774 -2.971 -1.779) 5.122 12.593 ( 3.774 -2.971 1.779) 5.122 13.422 ( 0.019 2.249 -2.117) 3.088 13.422 ( -0.019 2.249 2.117) 3.088 13.625 ( 2.243 2.880 -2.406) 4.372 13.625 ( -2.243 2.880 2.406) 4.372 13.825 ( -2.796 2.430 -4.409) 5.758 13.825 ( 2.796 2.430 4.409) 5.758 13.964 ( 0.670 0.017 -1.871) 1.988 13.964 ( -0.670 0.017 1.871) 1.988 14.095 ( -0.465 3.486 -1.305) 3.751 14.095 ( 0.465 3.486 1.305) 3.751 14.271 ( -0.266 6.741 -1.473) 6.906 14.271 ( 0.266 6.741 1.473) 6.906 15.217 ( -1.790 -2.972 -0.734) 3.547 15.217 ( 1.790 -2.972 0.734) 3.547 15.295 ( 2.015 -3.104 -1.483) 3.987 15.295 ( -2.015 -3.104 1.483) 3.987 15.567 ( -1.783 -1.939 -2.334) 3.519 15.567 ( 1.783 -1.939 2.334) 3.519 15.789 ( 1.027 -3.154 -3.258) 4.650 15.789 ( -1.027 -3.154 3.258) 4.650 16.110 ( -7.529 0.749 -4.428) 8.767 16.110 ( 7.529 0.749 4.428) 8.767 16.322 ( -10.801 -6.509 -1.605) 12.712 16.322 ( 10.801 -6.509 1.605) 12.712 18.356 ( -1.102 2.334 -3.580) 4.413 18.356 ( 1.102 2.334 3.580) 4.413 18.499 ( 3.547 0.130 -2.332) 4.247 18.499 ( -3.547 0.130 2.332) 4.247 18.710 ( 2.815 -0.230 -4.028) 4.919 18.710 ( -2.815 -0.230 4.028) 4.919 18.861 ( -2.342 1.101 -1.060) 2.796 18.861 ( 2.342 1.101 1.060) 2.796 19.046 ( 2.402 0.642 -2.687) 3.661 19.046 ( -2.402 0.642 2.687) 3.661 19.282 ( -0.845 2.027 -2.362) 3.225 19.282 ( 0.845 2.027 2.362) 3.225 21.387 ( -3.246 -3.784 -3.958) 6.365 21.387 ( 3.246 -3.784 3.958) 6.365 21.788 ( 3.626 -0.866 -3.697) 5.250 21.788 ( -3.626 -0.866 3.697) 5.250 23.304 ( -0.837 0.284 -3.809) 3.910 23.304 ( 0.837 0.284 3.809) 3.910 23.400 ( -0.571 -1.578 -0.867) 1.889 23.400 ( 0.571 -1.578 0.867) 1.889 23.807 ( -0.671 -0.879 -1.182) 1.619 23.807 ( 0.671 -0.879 1.182) 1.619 23.824 ( 1.169 -2.325 -1.630) 3.071 23.824 ( -1.169 -2.325 1.630) 3.071 ======================= Grid point 149 (67/70) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 8.061 7.277 -4.791) 11.869 2.298 ( -8.061 7.277 4.791) 11.869 2.399 ( -7.687 -1.331 -0.506) 7.818 2.399 ( 7.687 -1.331 0.506) 7.818 2.466 ( 3.089 7.837 -1.816) 8.617 2.466 ( -3.089 7.837 1.816) 8.617 2.523 ( 2.257 0.123 -5.812) 6.236 2.523 ( -2.257 0.123 5.812) 6.236 2.740 ( 1.752 -1.590 -3.444) 4.179 2.740 ( -1.752 -1.590 3.444) 4.179 2.902 ( -5.050 -5.009 -1.444) 7.258 2.902 ( 5.050 -5.009 1.444) 7.258 3.057 ( 5.229 0.556 -4.786) 7.111 3.057 ( -5.229 0.556 4.786) 7.111 3.123 ( 3.449 -4.555 -4.427) 7.227 3.123 ( -3.449 -4.555 4.427) 7.227 3.195 ( 0.730 5.025 -3.811) 6.349 3.195 ( -0.730 5.025 3.811) 6.349 3.368 ( -3.769 3.843 -3.169) 6.247 3.368 ( 3.769 3.843 3.169) 6.247 3.489 ( -0.406 -5.250 -3.353) 6.242 3.489 ( 0.406 -5.250 3.353) 6.242 3.673 ( 2.934 -2.844 -3.445) 5.345 3.673 ( -2.934 -2.844 3.445) 5.345 3.828 ( -0.998 -1.137 -0.777) 1.701 3.828 ( 0.998 -1.137 0.777) 1.701 3.961 ( -0.999 3.919 -6.870) 7.973 3.961 ( 0.999 3.919 6.870) 7.973 4.007 ( 0.718 -2.656 -0.996) 2.926 4.007 ( -0.718 -2.656 0.996) 2.926 4.076 ( -6.934 -3.759 -1.973) 8.130 4.076 ( 6.934 -3.759 1.973) 8.130 4.294 ( 0.450 -5.008 -3.608) 6.189 4.294 ( -0.450 -5.008 3.608) 6.189 4.472 ( 3.100 -3.783 -3.671) 6.115 4.472 ( -3.100 -3.783 3.671) 6.115 4.789 ( -5.521 1.717 0.239) 5.787 4.789 ( 5.521 1.717 -0.239) 5.787 4.872 ( -7.145 5.475 -1.739) 9.167 4.872 ( 7.145 5.475 1.739) 9.167 5.078 ( 3.342 6.536 -7.587) 10.557 5.078 ( -3.342 6.536 7.587) 10.557 5.108 ( -5.363 -8.321 -8.155) 12.825 5.108 ( 5.363 -8.321 8.155) 12.825 5.387 ( -1.395 2.164 -4.935) 5.566 5.387 ( 1.395 2.164 4.935) 5.566 5.458 ( 0.730 -4.390 -7.058) 8.344 5.458 ( -0.730 -4.390 7.058) 8.344 5.593 ( 4.952 4.154 -10.408) 12.252 5.593 ( -4.952 4.154 10.408) 12.252 5.699 ( 3.337 -4.057 -7.695) 9.317 5.699 ( -3.337 -4.057 7.695) 9.317 5.771 ( 0.603 -4.406 -3.099) 5.421 5.771 ( -0.603 -4.406 3.099) 5.421 5.993 ( 1.998 2.529 -3.849) 5.020 5.993 ( -1.998 2.529 3.849) 5.020 6.117 ( -2.162 -3.180 -0.958) 3.963 6.117 ( 2.162 -3.180 0.958) 3.963 6.367 ( -2.809 -2.133 -0.669) 3.590 6.367 ( 2.809 -2.133 0.669) 3.590 6.509 ( -3.012 0.852 -0.344) 3.149 6.509 ( 3.012 0.852 0.344) 3.149 6.716 ( -0.090 -0.114 -0.423) 0.447 6.716 ( 0.090 -0.114 0.423) 0.447 6.930 ( -5.782 3.631 -3.023) 7.467 6.930 ( 5.782 3.631 3.023) 7.467 7.018 ( -6.999 -1.829 -4.557) 8.549 7.018 ( 6.999 -1.829 4.557) 8.549 7.154 ( -0.834 -1.574 -2.914) 3.415 7.154 ( 0.834 -1.574 2.914) 3.415 7.259 ( -4.828 0.248 -3.132) 5.761 7.259 ( 4.828 0.248 3.132) 5.761 7.462 ( 3.132 0.020 -4.479) 5.466 7.462 ( -3.132 0.020 4.479) 5.466 7.496 ( -4.065 -2.495 -5.473) 7.260 7.496 ( 4.065 -2.495 5.473) 7.260 7.619 ( -0.353 -1.963 -2.769) 3.413 7.619 ( 0.353 -1.963 2.769) 3.413 7.739 ( 0.102 -2.475 -1.574) 2.935 7.739 ( -0.102 -2.475 1.574) 2.935 8.036 ( -2.965 2.125 -1.653) 4.005 8.036 ( 2.965 2.125 1.653) 4.005 8.288 ( -1.935 4.538 -2.899) 5.722 8.288 ( 1.935 4.538 2.899) 5.722 8.336 ( -1.072 0.407 -1.789) 2.125 8.336 ( 1.072 0.407 1.789) 2.125 8.444 ( 1.155 0.882 -2.872) 3.219 8.444 ( -1.155 0.882 2.872) 3.219 8.766 ( -2.517 0.968 -2.362) 3.585 8.766 ( 2.517 0.968 2.362) 3.585 8.814 ( -2.437 -3.113 -2.892) 4.898 8.814 ( 2.437 -3.113 2.892) 4.898 9.081 ( 0.054 0.328 -3.340) 3.357 9.081 ( -0.054 0.328 3.340) 3.357 9.226 ( -0.084 -2.166 -2.997) 3.698 9.226 ( 0.084 -2.166 2.997) 3.698 9.381 ( -5.510 9.000 -9.496) 14.196 9.381 ( 5.510 9.000 9.496) 14.196 9.550 ( -2.154 -1.591 -3.330) 4.274 9.550 ( 2.154 -1.591 3.330) 4.274 9.802 ( 0.186 0.825 -1.737) 1.932 9.802 ( -0.186 0.825 1.737) 1.932 9.909 ( -2.496 -2.021 -1.619) 3.597 9.909 ( 2.496 -2.021 1.619) 3.597 10.218 ( -4.722 5.126 -3.361) 7.738 10.218 ( 4.722 5.126 3.361) 7.738 10.293 ( -5.363 -1.457 -4.786) 7.334 10.293 ( 5.363 -1.457 4.786) 7.334 10.532 ( -2.076 2.413 -2.099) 3.813 10.532 ( 2.076 2.413 2.099) 3.813 10.672 ( -0.598 -1.113 -7.180) 7.290 10.672 ( 0.598 -1.113 7.180) 7.290 10.975 ( 0.916 -1.865 -3.642) 4.193 10.975 ( -0.916 -1.865 3.642) 4.193 11.095 ( 2.680 10.644 -3.426) 11.498 11.095 ( -2.680 10.644 3.426) 11.498 11.291 ( 0.016 -2.234 -3.691) 4.314 11.291 ( -0.016 -2.234 3.691) 4.314 11.443 ( -0.397 -4.781 -0.876) 4.876 11.443 ( 0.397 -4.781 0.876) 4.876 11.541 ( 0.745 3.950 -3.603) 5.398 11.541 ( -0.745 3.950 3.603) 5.398 11.731 ( 0.227 -3.750 -1.620) 4.091 11.731 ( -0.227 -3.750 1.620) 4.091 11.991 ( -1.902 5.372 -4.105) 7.024 11.991 ( 1.902 5.372 4.105) 7.024 12.217 ( -2.715 -6.817 -0.554) 7.359 12.217 ( 2.715 -6.817 0.554) 7.359 12.254 ( 1.198 -0.485 -1.977) 2.362 12.254 ( -1.198 -0.485 1.977) 2.362 12.515 ( -1.158 -3.147 -3.103) 4.569 12.515 ( 1.158 -3.147 3.103) 4.569 13.553 ( 1.229 0.749 -2.485) 2.872 13.553 ( -1.229 0.749 2.485) 2.872 13.634 ( -0.926 -0.465 -0.222) 1.060 13.634 ( 0.926 -0.465 0.222) 1.060 13.892 ( -1.536 2.690 -0.332) 3.116 13.892 ( 1.536 2.690 0.332) 3.116 13.985 ( 0.066 -1.235 -0.600) 1.375 13.985 ( -0.066 -1.235 0.600) 1.375 14.154 ( 0.756 2.276 -3.762) 4.462 14.154 ( -0.756 2.276 3.762) 4.462 14.181 ( 1.452 0.926 -3.684) 4.067 14.181 ( -1.452 0.926 3.684) 4.067 15.199 ( -0.341 1.083 -2.027) 2.323 15.199 ( 0.341 1.083 2.027) 2.323 15.251 ( 0.248 -0.476 -1.601) 1.688 15.251 ( -0.248 -0.476 1.601) 1.688 15.727 ( -0.132 1.036 -1.932) 2.196 15.727 ( 0.132 1.036 1.932) 2.196 15.796 ( 4.320 2.159 -2.428) 5.406 15.796 ( -4.320 2.159 2.428) 5.406 15.918 ( -0.058 4.233 -0.682) 4.288 15.918 ( 0.058 4.233 0.682) 4.288 16.119 ( 6.146 -13.828 -3.456) 15.522 16.119 ( -6.146 -13.828 3.456) 15.522 18.613 ( 2.885 3.957 -1.731) 5.194 18.613 ( -2.885 3.957 1.731) 5.194 18.638 ( -2.554 0.440 0.477) 2.635 18.638 ( 2.554 0.440 -0.477) 2.635 18.721 ( -3.510 3.731 0.582) 5.156 18.721 ( 3.510 3.731 -0.582) 5.156 18.804 ( -2.858 -2.317 -0.011) 3.679 18.804 ( 2.858 -2.317 0.011) 3.679 18.919 ( 0.088 -2.560 -1.004) 2.751 18.919 ( -0.088 -2.560 1.004) 2.751 19.286 ( -0.869 0.327 -0.421) 1.020 19.286 ( 0.869 0.327 0.421) 1.020 21.409 ( -1.321 -0.640 -2.262) 2.696 21.409 ( 1.321 -0.640 2.262) 2.696 21.776 ( 1.492 -1.042 -0.935) 2.046 21.776 ( -1.492 -1.042 0.935) 2.046 23.466 ( -2.085 1.782 -0.292) 2.758 23.466 ( 2.085 1.782 0.292) 2.758 23.519 ( -1.753 -1.681 0.156) 2.434 23.519 ( 1.753 -1.681 -0.156) 2.434 23.578 ( -2.436 4.006 0.217) 4.693 23.578 ( 2.436 4.006 -0.217) 4.693 23.695 ( 0.907 -6.005 -0.755) 6.120 23.695 ( -0.907 -6.005 0.755) 6.120 ======================= Grid point 151 (68/70) ======================= q-point: ( 0.17 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -6.001 3.113 0.976) 6.830 2.262 ( -6.658 -3.055 -0.636) 7.353 2.362 ( 7.235 8.084 -5.955) 12.376 2.422 ( 0.672 3.807 -3.945) 5.524 2.453 ( 0.766 10.715 0.056) 10.742 2.516 ( -2.051 0.200 3.499) 4.061 2.555 ( 2.144 0.178 3.065) 3.744 2.600 ( 5.237 1.313 4.082) 6.769 2.720 ( -1.219 2.010 -1.320) 2.696 2.769 ( -3.520 2.520 -0.835) 4.408 2.789 ( -1.303 -7.093 0.474) 7.227 2.940 ( -0.132 -9.258 -5.130) 10.585 2.984 ( -5.456 3.457 1.598) 6.653 3.014 ( -1.926 -0.704 -2.794) 3.466 3.080 ( -7.002 -1.125 2.846) 7.641 3.140 ( 0.672 -2.014 1.048) 2.368 3.200 ( 2.068 4.254 0.739) 4.788 3.235 ( 0.641 1.398 -0.996) 1.832 3.318 ( 0.936 0.866 0.012) 1.275 3.373 ( -2.595 2.129 -1.550) 3.697 3.420 ( -1.549 -6.772 1.446) 7.096 3.578 ( -0.303 -6.185 -3.629) 7.177 3.616 ( 0.453 -0.715 -3.537) 3.637 3.638 ( 0.495 -2.888 -6.755) 7.363 3.720 ( -10.992 1.199 1.101) 11.112 3.774 ( -8.673 -4.044 2.784) 9.966 3.839 ( -4.876 -0.496 -1.684) 5.182 3.885 ( -6.044 -2.891 0.694) 6.736 4.001 ( 2.124 5.210 2.609) 6.202 4.080 ( 6.372 -2.065 -1.483) 6.861 4.117 ( 4.683 1.130 3.303) 5.841 4.174 ( 2.743 -4.916 -1.514) 5.829 4.286 ( -4.435 -4.283 2.322) 6.588 4.327 ( -3.682 -6.568 6.196) 9.751 4.480 ( 0.636 3.533 2.126) 4.172 4.529 ( -0.813 -2.142 7.029) 7.393 4.677 ( 7.139 2.321 -6.989) 10.256 4.825 ( -3.999 -9.150 -0.919) 10.028 4.903 ( 0.990 2.452 7.126) 7.601 4.919 ( -2.782 2.895 1.107) 4.164 4.975 ( 4.018 6.233 -7.500) 10.547 5.098 ( 5.130 2.299 -5.844) 8.109 5.174 ( 2.266 3.774 5.046) 6.696 5.251 ( 5.104 -6.096 -0.001) 7.950 5.363 ( 4.809 1.387 -4.481) 6.718 5.428 ( 6.965 -2.497 -1.567) 7.563 5.500 ( 0.679 1.346 -0.861) 1.736 5.532 ( -2.981 -0.895 1.111) 3.305 5.593 ( 9.276 -4.440 1.934) 10.464 5.620 ( -4.140 -6.322 -5.214) 9.181 5.685 ( 6.402 2.210 4.369) 8.060 5.743 ( 2.629 -4.010 3.029) 5.672 5.864 ( 7.207 0.836 6.471) 9.721 5.911 ( 8.490 -1.945 4.154) 9.650 5.965 ( -2.241 3.623 2.339) 4.860 6.044 ( -4.687 -3.308 1.139) 5.849 6.064 ( 5.503 5.048 -1.998) 7.731 6.191 ( 5.116 -4.823 -0.312) 7.038 6.298 ( -2.195 2.200 0.004) 3.108 6.366 ( -5.752 -2.346 0.045) 6.213 6.476 ( 0.893 1.881 2.557) 3.298 6.546 ( 1.817 -2.223 -2.153) 3.589 6.704 ( -0.959 1.501 -1.137) 2.113 6.733 ( -0.910 -0.991 -1.578) 2.074 6.784 ( -4.512 0.131 -0.849) 4.593 6.801 ( -8.235 -0.210 -3.217) 8.844 6.980 ( -3.204 -0.652 -4.115) 5.256 7.000 ( -10.439 -2.380 -2.998) 11.119 7.030 ( -0.512 1.909 -4.327) 4.757 7.111 ( 1.787 -3.997 0.242) 4.385 7.262 ( 1.057 3.290 -1.467) 3.754 7.333 ( 1.437 -3.438 -1.027) 3.865 7.403 ( -5.513 1.373 0.198) 5.684 7.459 ( -4.682 -2.431 2.094) 5.676 7.501 ( 1.193 4.907 1.257) 5.204 7.605 ( 0.907 -3.048 1.965) 3.738 7.641 ( -0.592 0.083 6.366) 6.394 7.690 ( -3.413 -2.572 2.362) 4.883 7.729 ( 7.267 0.428 2.718) 7.770 7.810 ( 3.716 -4.977 3.102) 6.942 7.921 ( -0.721 4.582 -5.879) 7.488 8.027 ( -2.537 -4.231 -2.329) 5.456 8.196 ( -5.253 5.549 -3.991) 8.621 8.286 ( -2.296 -3.446 -2.799) 4.998 8.371 ( 2.386 5.158 1.216) 5.812 8.382 ( 0.011 1.925 4.232) 4.649 8.460 ( 5.363 0.871 4.867) 7.295 8.512 ( 4.224 -2.605 2.899) 5.748 8.628 ( -6.730 4.268 -5.819) 9.867 8.722 ( -2.802 -4.738 -2.601) 6.089 8.802 ( 1.576 0.516 -3.449) 3.827 8.840 ( -0.346 -2.161 -3.404) 4.047 9.077 ( -1.554 -0.154 -1.291) 2.026 9.088 ( -0.083 -1.958 -0.472) 2.015 9.166 ( -2.900 2.637 -4.787) 6.187 9.226 ( 0.546 -0.646 1.523) 1.742 9.339 ( 3.667 4.330 3.206) 6.517 9.432 ( -4.158 -2.313 -5.691) 7.418 9.576 ( 2.079 4.474 9.618) 10.809 9.640 ( 1.541 -0.825 8.215) 8.399 9.779 ( -5.925 5.550 1.120) 8.195 9.820 ( 0.210 2.178 3.231) 3.902 9.877 ( 0.740 0.178 -0.171) 0.780 9.950 ( -4.286 -5.967 3.760) 8.253 10.098 ( 1.479 6.052 -7.947) 10.098 10.175 ( 0.666 -0.543 -6.871) 6.925 10.308 ( 2.792 6.589 0.772) 7.198 10.406 ( 1.979 -2.803 2.544) 4.272 10.538 ( 6.477 2.057 -0.825) 6.846 10.592 ( 9.437 -2.337 -5.247) 11.047 10.712 ( 5.250 5.920 2.128) 8.194 10.799 ( 3.711 2.052 3.728) 5.646 10.944 ( -2.781 -0.597 1.779) 3.354 11.000 ( -1.494 -1.064 5.295) 5.603 11.083 ( 0.628 7.539 -2.001) 7.826 11.101 ( 1.692 7.933 -1.965) 8.346 11.223 ( -2.442 -0.141 -2.110) 3.230 11.285 ( -3.380 -6.465 0.276) 7.300 11.397 ( -2.426 -1.744 -0.127) 2.990 11.439 ( -2.127 -4.545 -3.015) 5.854 11.513 ( 0.314 1.742 -1.339) 2.220 11.554 ( -0.113 -0.503 -0.817) 0.966 11.740 ( 2.187 -1.022 -0.090) 2.416 11.760 ( 0.978 -3.762 1.383) 4.125 11.921 ( -1.739 8.305 -0.344) 8.492 12.075 ( 1.166 -1.623 1.525) 2.514 12.179 ( -1.761 -2.020 1.955) 3.317 12.247 ( 0.805 -2.761 -1.883) 3.438 12.272 ( 0.805 -0.232 2.027) 2.194 12.282 ( 2.997 -4.834 1.711) 5.940 12.456 ( -1.585 2.054 -1.709) 3.106 12.567 ( 0.793 -6.768 1.705) 7.025 13.520 ( -0.354 0.866 -3.462) 3.587 13.530 ( -2.259 0.018 -0.526) 2.320 13.626 ( 0.867 1.066 -0.950) 1.670 13.647 ( 1.392 -0.813 -1.856) 2.458 13.853 ( -2.559 4.104 1.413) 5.038 13.917 ( 0.304 -1.538 -0.163) 1.576 13.974 ( -1.047 1.020 1.015) 1.779 14.004 ( -0.136 -1.561 -0.639) 1.693 14.136 ( 1.929 3.048 -3.076) 4.741 14.164 ( 1.941 0.314 -3.180) 3.739 14.215 ( 1.415 2.426 4.729) 5.500 14.229 ( 1.273 1.093 5.190) 5.454 15.167 ( -0.247 1.728 -1.809) 2.514 15.210 ( 0.058 -2.295 -1.461) 2.721 15.236 ( -0.940 1.183 1.046) 1.837 15.259 ( -0.954 -0.782 1.475) 1.923 15.624 ( -5.573 1.599 -1.183) 5.917 15.667 ( -4.496 -2.427 -2.814) 5.833 15.738 ( -3.181 2.727 1.463) 4.438 15.795 ( -1.344 -1.378 -1.089) 2.211 15.979 ( 4.801 6.782 1.481) 8.440 16.014 ( 7.277 4.257 0.642) 8.455 16.135 ( 0.759 -8.441 4.537) 9.613 16.233 ( 7.143 -14.768 -1.668) 16.490 18.506 ( -6.741 4.516 -0.460) 8.127 18.526 ( -6.376 2.857 1.287) 7.104 18.604 ( -4.698 1.478 -0.919) 5.010 18.668 ( -6.540 -1.423 1.667) 6.898 18.694 ( 3.240 -0.525 -3.189) 4.576 18.732 ( -1.039 -2.834 0.226) 3.027 18.810 ( 4.444 4.253 -1.386) 6.305 18.873 ( 5.221 3.520 0.428) 6.311 18.926 ( 1.337 -3.952 -0.379) 4.189 18.964 ( 2.196 -2.220 2.335) 3.899 19.275 ( -0.050 1.930 0.230) 1.945 19.310 ( 1.277 -0.991 0.391) 1.663 21.351 ( -1.388 2.747 -2.961) 4.271 21.430 ( -0.362 -4.683 -0.675) 4.745 21.760 ( -1.772 0.681 2.045) 2.790 21.786 ( -0.502 -1.999 0.792) 2.208 23.382 ( -5.778 2.810 0.585) 6.452 23.429 ( -5.038 -1.611 0.041) 5.289 23.461 ( -3.729 0.548 -0.850) 3.864 23.471 ( -3.009 -0.328 0.069) 3.027 23.650 ( 5.898 2.395 0.024) 6.366 23.663 ( 5.718 1.470 -0.127) 5.906 23.721 ( 2.326 -4.685 0.176) 5.233 23.742 ( 4.308 -4.349 -0.345) 6.132 ======================= Grid point 152 (69/70) ======================= q-point: ( 0.33 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -2.749 -0.072 0.082) 2.752 2.162 ( -4.912 -2.907 0.482) 5.728 2.407 ( 1.264 2.057 1.619) 2.907 2.423 ( 6.339 3.154 -6.253) 9.447 2.482 ( -1.441 3.130 1.174) 3.640 2.521 ( 3.104 4.663 -1.452) 5.786 2.624 ( -3.974 3.676 2.284) 5.875 2.664 ( 2.565 -0.007 0.442) 2.603 2.700 ( -0.492 3.457 3.267) 4.782 2.711 ( 1.616 4.769 -0.514) 5.061 2.781 ( -1.537 -3.072 -2.871) 4.477 2.856 ( -0.087 3.928 -2.073) 4.442 2.922 ( -3.843 4.032 0.467) 5.589 2.970 ( -5.498 -2.213 4.015) 7.158 3.035 ( 1.511 -6.400 0.782) 6.622 3.130 ( -2.520 -2.348 -1.322) 3.690 3.185 ( -4.889 -6.784 0.560) 8.381 3.230 ( -3.526 -1.730 -0.965) 4.044 3.257 ( -0.681 3.793 2.794) 4.760 3.360 ( -2.205 -1.313 -1.694) 3.075 3.454 ( 1.395 -4.128 0.269) 4.366 3.499 ( 4.897 -0.447 -5.145) 7.117 3.551 ( -1.010 -3.132 -5.326) 6.261 3.573 ( -2.995 0.157 0.241) 3.009 3.602 ( -3.190 0.996 -1.962) 3.875 3.686 ( -3.435 -4.685 -0.304) 5.817 3.753 ( -1.938 -2.166 1.630) 3.332 3.871 ( -2.009 -8.614 2.398) 9.164 4.037 ( -2.809 4.346 2.592) 5.787 4.072 ( -7.100 3.321 1.868) 8.058 4.198 ( 5.878 0.845 1.710) 6.180 4.253 ( 1.976 2.827 3.092) 4.632 4.275 ( 3.263 -6.956 3.873) 8.604 4.376 ( -1.585 -9.292 4.764) 10.562 4.473 ( -1.974 2.575 -5.101) 6.045 4.551 ( -4.870 -4.283 1.426) 6.640 4.735 ( 5.933 -2.272 -5.554) 8.438 4.746 ( -1.217 -1.957 0.155) 2.310 4.886 ( 5.149 7.761 -5.052) 10.596 4.972 ( -1.037 1.559 -2.253) 2.929 5.031 ( 1.568 -0.662 7.404) 7.597 5.113 ( 4.934 -4.679 -1.676) 7.004 5.257 ( 6.109 2.821 -1.753) 6.954 5.342 ( 6.985 -5.574 -0.825) 8.975 5.362 ( 0.933 7.388 1.533) 7.602 5.452 ( -2.756 -0.353 -2.725) 3.891 5.503 ( -2.291 -0.140 -1.022) 2.512 5.533 ( -1.160 4.096 2.240) 4.811 5.635 ( 2.363 -5.418 3.181) 6.713 5.668 ( -0.253 -8.880 -1.220) 8.967 5.767 ( 1.218 0.632 -2.544) 2.890 5.792 ( 1.285 0.443 -0.608) 1.489 5.976 ( 1.673 3.099 2.081) 4.090 6.020 ( 8.833 2.580 -1.922) 9.401 6.031 ( 5.137 0.647 -3.284) 6.131 6.049 ( -3.293 -2.380 4.613) 6.147 6.185 ( 3.884 3.867 -0.267) 5.487 6.227 ( 0.943 5.189 -3.675) 6.428 6.297 ( -1.638 -2.827 2.471) 4.096 6.309 ( 2.685 -2.745 3.214) 5.007 6.524 ( 3.365 0.960 -3.505) 4.952 6.572 ( 5.026 -2.585 2.009) 5.998 6.636 ( 0.911 1.218 -3.188) 3.532 6.700 ( -2.821 -1.745 6.068) 6.915 6.747 ( -0.831 -0.668 0.409) 1.142 6.799 ( 1.133 -3.989 2.847) 5.030 6.849 ( -5.209 0.047 5.807) 7.802 6.887 ( -6.457 -1.472 8.744) 10.969 7.017 ( 2.498 2.336 -3.728) 5.060 7.100 ( 0.207 -4.481 -5.040) 6.747 7.192 ( -7.507 3.598 -2.089) 8.583 7.247 ( -5.873 1.581 -4.834) 7.769 7.337 ( -3.456 -0.561 -1.054) 3.657 7.374 ( -2.487 -0.860 -0.234) 2.641 7.520 ( -1.612 -1.674 -0.762) 2.446 7.572 ( -3.384 -5.869 -6.215) 9.194 7.642 ( -0.550 3.064 2.469) 3.973 7.699 ( 0.393 -1.749 1.256) 2.189 7.795 ( -1.623 1.174 4.280) 4.726 7.867 ( 1.116 -3.646 -0.470) 3.842 7.915 ( 0.024 4.123 -0.766) 4.193 7.997 ( 1.368 -2.662 1.405) 3.306 8.165 ( 0.294 1.319 -8.869) 8.971 8.191 ( 5.176 -1.427 3.011) 6.156 8.372 ( -7.584 3.062 -2.965) 8.700 8.434 ( -0.384 -2.566 1.458) 2.976 8.531 ( -0.531 0.804 4.579) 4.679 8.570 ( 2.857 3.247 -0.562) 4.361 8.575 ( -2.432 -4.063 5.276) 7.089 8.673 ( -0.240 -4.235 -0.313) 4.253 8.808 ( 3.579 -0.699 -0.874) 3.750 8.822 ( 1.524 -2.693 -5.507) 6.317 8.990 ( -0.129 5.210 -1.268) 5.364 9.062 ( -1.519 5.546 -0.101) 5.752 9.093 ( 1.173 -5.596 -6.355) 8.548 9.217 ( -2.505 -6.187 1.773) 6.906 9.366 ( -0.673 4.694 -0.375) 4.757 9.434 ( 2.718 -0.472 0.409) 2.789 9.617 ( -6.493 4.385 -2.642) 8.268 9.663 ( -2.249 0.843 0.525) 2.459 9.772 ( 0.624 3.229 4.460) 5.542 9.826 ( -0.542 -0.029 3.861) 3.899 9.911 ( -1.337 3.584 4.951) 6.256 9.936 ( -1.809 0.489 7.808) 8.029 10.069 ( 2.027 2.824 -4.728) 5.868 10.122 ( 3.692 -2.037 -11.579) 12.323 10.373 ( 2.735 7.387 3.144) 8.481 10.449 ( 1.272 0.596 0.449) 1.475 10.677 ( 5.137 0.441 0.694) 5.203 10.731 ( 6.678 -3.005 -1.968) 7.583 10.792 ( 4.812 11.414 3.770) 12.947 10.863 ( 4.525 5.645 -2.249) 7.577 10.950 ( -0.408 2.459 3.496) 4.294 11.042 ( 0.537 -2.611 0.659) 2.746 11.069 ( 0.622 9.971 0.638) 10.011 11.142 ( 3.589 -0.584 2.067) 4.183 11.187 ( -2.430 3.540 0.746) 4.358 11.218 ( -0.454 -6.953 -3.554) 7.822 11.311 ( -5.754 -1.630 -3.521) 6.940 11.364 ( -5.195 -4.168 0.957) 6.728 11.487 ( -0.859 -4.312 -1.583) 4.673 11.522 ( -0.912 -5.758 -2.428) 6.315 11.783 ( 1.804 -1.188 -0.740) 2.284 11.791 ( 1.941 -1.329 0.488) 2.403 11.925 ( 0.905 5.483 1.866) 5.862 12.046 ( -4.238 -3.943 1.060) 5.884 12.197 ( 0.129 3.276 1.055) 3.444 12.245 ( 1.091 -3.770 -1.995) 4.403 12.322 ( 2.410 1.691 1.170) 3.167 12.341 ( 1.591 -0.585 1.585) 2.321 12.447 ( 1.465 1.020 0.903) 2.001 12.567 ( -2.254 -7.647 0.203) 7.975 13.476 ( -0.418 1.271 -2.525) 2.858 13.485 ( -1.270 0.236 -1.575) 2.038 13.639 ( 1.119 0.839 -0.003) 1.398 13.647 ( 1.013 0.017 -0.994) 1.419 13.838 ( -0.717 3.687 0.922) 3.868 13.904 ( -0.306 -2.348 -2.403) 3.374 13.957 ( -1.804 0.498 0.957) 2.102 13.973 ( -1.588 -0.823 -0.772) 1.948 14.139 ( 1.113 2.285 -1.220) 2.819 14.157 ( 0.848 0.571 -2.162) 2.391 14.308 ( 2.241 2.612 4.296) 5.504 14.320 ( 2.194 1.390 3.652) 4.482 15.161 ( 0.955 0.488 -0.441) 1.159 15.189 ( -0.091 -2.272 -1.221) 2.581 15.238 ( -0.215 0.090 0.829) 0.861 15.256 ( -1.410 -1.420 1.558) 2.536 15.552 ( -2.249 1.140 0.642) 2.602 15.585 ( -2.576 -1.995 -0.520) 3.300 15.730 ( -0.925 1.190 2.600) 3.005 15.766 ( -1.382 -1.740 0.410) 2.260 16.062 ( 3.922 6.015 -0.217) 7.185 16.136 ( 6.493 1.632 -0.525) 6.715 16.177 ( -0.530 -3.899 0.673) 3.992 16.268 ( 1.043 -10.729 -3.893) 11.461 18.413 ( -2.806 4.740 -0.370) 5.521 18.456 ( -3.358 2.216 1.062) 4.161 18.510 ( -3.903 -1.053 -1.686) 4.380 18.547 ( -7.460 -3.477 1.013) 8.293 18.698 ( 1.571 0.128 -2.581) 3.024 18.715 ( -1.405 -1.266 0.329) 1.919 18.862 ( 2.738 3.939 -0.439) 4.818 18.924 ( -0.592 0.136 -0.241) 0.653 18.978 ( 5.211 0.269 0.208) 5.222 19.028 ( 1.108 -2.082 2.473) 3.417 19.294 ( 0.952 2.835 1.570) 3.378 19.333 ( 0.994 -0.489 -0.168) 1.120 21.308 ( -0.477 1.819 -1.160) 2.210 21.382 ( -2.282 -5.113 -2.738) 6.233 21.766 ( 0.175 0.526 0.994) 1.138 21.783 ( -1.568 -1.168 1.959) 2.768 23.312 ( -3.418 1.770 1.445) 4.111 23.347 ( -3.542 -1.774 -0.714) 4.026 23.404 ( -1.943 1.005 -0.215) 2.198 23.423 ( -2.167 -0.491 -0.457) 2.269 23.726 ( 3.819 -0.606 -1.003) 3.995 23.749 ( 2.265 -1.737 0.260) 2.866 23.763 ( 3.200 0.323 0.626) 3.277 23.802 ( 2.551 -2.201 -0.220) 3.376 ======================= Grid point 153 (70/70) ======================= q-point: (-0.50 0.44 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 0.589 -1.718 -0.853) 2.007 2.114 ( -0.589 -1.718 0.853) 2.007 2.458 ( 0.750 -2.695 -2.128) 3.515 2.458 ( -0.750 -2.695 2.128) 3.515 2.472 ( 0.425 3.085 -3.862) 4.962 2.472 ( -0.425 3.085 3.862) 4.962 2.659 ( -2.010 2.861 -3.505) 4.951 2.659 ( 2.010 2.861 3.505) 4.951 2.712 ( 2.346 10.269 -5.241) 11.766 2.712 ( -2.346 10.269 5.241) 11.766 2.799 ( -1.243 -1.147 -4.794) 5.084 2.799 ( 1.243 -1.147 4.794) 5.084 2.937 ( -0.178 1.375 -3.884) 4.124 2.937 ( 0.178 1.375 3.884) 4.124 3.054 ( 0.329 -5.130 -1.152) 5.268 3.054 ( -0.329 -5.130 1.152) 5.268 3.179 ( -1.756 -2.693 -1.306) 3.470 3.179 ( 1.756 -2.693 1.306) 3.470 3.298 ( 0.879 0.177 -6.685) 6.745 3.298 ( -0.879 0.177 6.685) 6.745 3.477 ( 0.729 -4.485 -4.523) 6.411 3.477 ( -0.729 -4.485 4.523) 6.411 3.548 ( -0.800 -1.444 -0.711) 1.797 3.548 ( 0.800 -1.444 0.711) 1.797 3.608 ( 1.207 1.826 -4.167) 4.707 3.608 ( -1.207 1.826 4.167) 4.707 3.813 ( -2.757 -8.043 -2.154) 8.771 3.813 ( 2.757 -8.043 2.154) 8.771 4.019 ( 2.750 4.397 -4.609) 6.938 4.019 ( -2.750 4.397 4.609) 6.938 4.310 ( 0.678 -0.610 -6.159) 6.226 4.310 ( -0.678 -0.610 6.159) 6.226 4.345 ( 3.624 -3.691 -3.312) 6.143 4.345 ( -3.624 -3.691 3.312) 6.143 4.423 ( -4.695 -4.088 -4.906) 7.926 4.423 ( 4.695 -4.088 4.906) 7.926 4.747 ( 4.058 -0.743 -5.869) 7.174 4.747 ( -4.058 -0.743 5.869) 7.174 4.933 ( 2.171 2.484 -3.499) 4.809 4.933 ( -2.171 2.484 3.499) 4.809 5.144 ( 0.351 -3.464 -5.113) 6.186 5.144 ( -0.351 -3.464 5.113) 6.186 5.353 ( -3.401 3.597 -1.924) 5.311 5.353 ( 3.401 3.597 1.924) 5.311 5.432 ( 0.530 6.523 -2.625) 7.051 5.432 ( -0.530 6.523 2.625) 7.051 5.487 ( 0.447 -3.426 -1.753) 3.874 5.487 ( -0.447 -3.426 1.753) 3.874 5.588 ( 2.990 -5.375 -5.885) 8.512 5.588 ( -2.990 -5.375 5.885) 8.512 5.835 ( -1.868 2.103 -4.475) 5.286 5.835 ( 1.868 2.103 4.475) 5.286 5.953 ( -0.261 2.428 -7.911) 8.280 5.953 ( 0.261 2.428 7.911) 8.280 6.094 ( -1.910 -3.322 -5.177) 6.441 6.094 ( 1.910 -3.322 5.177) 6.441 6.223 ( 0.418 1.711 -3.140) 3.600 6.223 ( -0.418 1.711 3.140) 3.600 6.335 ( 1.613 0.077 -4.084) 4.392 6.335 ( -1.613 0.077 4.084) 4.392 6.570 ( 5.372 5.740 -3.107) 8.454 6.570 ( -5.372 5.740 3.107) 8.454 6.708 ( 2.885 -3.222 -5.747) 7.192 6.708 ( -2.885 -3.222 5.747) 7.192 6.757 ( 3.431 -4.809 -8.136) 10.054 6.757 ( -3.431 -4.809 8.136) 10.054 6.987 ( 0.004 2.337 -1.008) 2.545 6.987 ( -0.004 2.337 1.008) 2.545 7.029 ( -0.540 -1.022 -5.169) 5.297 7.029 ( 0.540 -1.022 5.169) 5.297 7.069 ( -0.056 -1.330 -3.412) 3.662 7.069 ( 0.056 -1.330 3.412) 3.662 7.321 ( -1.612 1.382 -1.742) 2.746 7.321 ( 1.612 1.382 1.742) 2.746 7.456 ( 0.713 -6.726 -3.216) 7.489 7.456 ( -0.713 -6.726 3.216) 7.489 7.708 ( -1.194 4.301 -1.597) 4.741 7.708 ( 1.194 4.301 1.597) 4.741 7.846 ( -0.619 -4.066 -2.517) 4.822 7.846 ( 0.619 -4.066 2.517) 4.822 7.959 ( -3.039 0.496 -0.895) 3.207 7.959 ( 3.039 0.496 0.895) 3.207 8.180 ( -4.200 5.695 -4.839) 8.573 8.180 ( 4.200 5.695 4.839) 8.573 8.357 ( -5.758 -9.226 -2.977) 11.276 8.357 ( 5.758 -9.226 2.977) 11.276 8.563 ( -0.142 0.884 -2.377) 2.540 8.563 ( 0.142 0.884 2.377) 2.540 8.637 ( -0.554 -2.901 -0.868) 3.078 8.637 ( 0.554 -2.901 0.868) 3.078 8.821 ( -0.977 3.591 -6.993) 7.922 8.821 ( 0.977 3.591 6.993) 7.922 8.994 ( -1.682 -4.739 -6.200) 7.983 8.994 ( 1.682 -4.739 6.200) 7.983 9.189 ( -5.659 5.616 -4.191) 9.007 9.189 ( 5.659 5.616 4.191) 9.007 9.390 ( -2.803 -1.330 -4.034) 5.090 9.390 ( 2.803 -1.330 4.034) 5.090 9.568 ( -3.164 1.413 -1.034) 3.616 9.568 ( 3.164 1.413 1.034) 3.616 9.830 ( -1.674 2.524 -1.568) 3.411 9.830 ( 1.674 2.524 1.568) 3.411 9.981 ( 3.576 2.198 -4.579) 6.212 9.981 ( -3.576 2.198 4.579) 6.212 10.052 ( 4.178 0.520 -7.473) 8.578 10.052 ( -4.178 0.520 7.473) 8.578 10.443 ( -0.807 5.424 -2.509) 6.030 10.443 ( 0.807 5.424 2.509) 6.030 10.722 ( -1.391 -2.253 -1.758) 3.178 10.722 ( 1.391 -2.253 1.758) 3.178 10.911 ( -1.974 9.852 -4.295) 10.928 10.911 ( 1.974 9.852 4.295) 10.928 11.026 ( -10.592 8.749 1.771) 13.852 11.026 ( 10.592 8.749 -1.771) 13.852 11.121 ( -4.044 -2.006 -3.517) 5.723 11.121 ( 4.044 -2.006 3.517) 5.723 11.186 ( 4.405 -2.164 -6.820) 8.402 11.186 ( -4.405 -2.164 6.820) 8.402 11.265 ( -3.566 -2.912 -2.402) 5.193 11.265 ( 3.566 -2.912 2.402) 5.193 11.483 ( -0.847 -9.322 -0.928) 9.406 11.483 ( 0.847 -9.322 0.928) 9.406 11.801 ( 1.045 -0.456 -0.471) 1.234 11.801 ( -1.045 -0.456 0.471) 1.234 11.982 ( -1.765 -0.382 -1.694) 2.476 11.982 ( 1.765 -0.382 1.694) 2.476 12.220 ( -0.829 2.562 -1.711) 3.190 12.220 ( 0.829 2.562 1.711) 3.190 12.363 ( 2.239 0.902 -2.288) 3.326 12.363 ( -2.239 0.902 2.288) 3.326 12.507 ( -2.501 -4.821 -1.432) 5.617 12.507 ( 2.501 -4.821 1.432) 5.617 13.459 ( 0.451 1.171 -0.764) 1.469 13.459 ( -0.451 1.171 0.764) 1.469 13.653 ( 0.951 0.367 -1.149) 1.536 13.653 ( -0.951 0.367 1.149) 1.536 13.858 ( -0.921 0.962 -2.389) 2.735 13.858 ( 0.921 0.962 2.389) 2.735 13.950 ( 0.325 -0.785 -1.150) 1.430 13.950 ( -0.325 -0.785 1.150) 1.430 14.146 ( -0.217 1.328 -0.527) 1.445 14.146 ( 0.217 1.328 0.527) 1.445 14.359 ( -0.060 2.056 -0.532) 2.125 14.359 ( 0.060 2.056 0.532) 2.125 15.176 ( -0.596 -0.979 -0.391) 1.211 15.176 ( 0.596 -0.979 0.391) 1.211 15.247 ( 0.989 -1.282 -0.683) 1.758 15.247 ( -0.989 -1.282 0.683) 1.758 15.552 ( -0.500 0.001 -1.053) 1.165 15.552 ( 0.500 0.001 1.053) 1.165 15.750 ( -0.009 -0.870 -1.505) 1.739 15.750 ( 0.009 -0.870 1.505) 1.739 16.128 ( -2.886 0.998 -2.014) 3.658 16.128 ( 2.886 0.998 2.014) 3.658 16.219 ( -3.362 -3.333 -0.494) 4.760 16.219 ( 3.362 -3.333 0.494) 4.760 18.411 ( -2.016 3.142 -0.735) 3.805 18.411 ( 2.016 3.142 0.735) 3.805 18.473 ( 2.172 -2.548 -1.569) 3.697 18.473 ( -2.172 -2.548 1.569) 3.697 18.699 ( 1.454 -0.393 -1.646) 2.231 18.699 ( -1.454 -0.393 1.646) 2.231 18.899 ( -1.615 1.694 -0.473) 2.388 18.899 ( 1.615 1.694 0.473) 2.388 19.040 ( 0.957 -0.721 -0.426) 1.271 19.040 ( -0.957 -0.721 0.426) 1.271 19.329 ( -0.406 1.713 -1.560) 2.352 19.329 ( 0.406 1.713 1.560) 2.352 21.319 ( -1.401 -2.173 -1.718) 3.104 21.319 ( 1.401 -2.173 1.718) 3.104 21.778 ( 1.244 -0.207 -1.174) 1.723 21.778 ( -1.244 -0.207 1.174) 1.723 23.302 ( -0.127 -0.356 -1.515) 1.561 23.302 ( 0.127 -0.356 1.515) 1.561 23.394 ( -0.327 0.484 -0.575) 0.820 23.394 ( 0.327 0.484 0.575) 0.820 23.759 ( 1.018 -1.929 -0.751) 2.307 23.759 ( -1.018 -1.929 0.751) 2.307 23.813 ( -0.920 -0.058 -0.546) 1.071 23.813 ( 0.920 -0.058 0.546) 1.071 =================== 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 2391.245 1704.341 2432.415 0.000 -47.921 0.000 3/38880 20.0 177.010 212.352 244.056 0.000 -9.817 0.000 3/38880 30.0 48.895 64.170 66.955 0.000 -3.284 0.000 3/38880 40.0 22.832 30.494 30.621 0.000 -1.657 0.000 3/38880 50.0 13.715 18.375 18.056 0.000 -1.034 0.000 3/38880 60.0 9.478 12.689 12.292 0.000 -0.728 0.000 3/38880 70.0 7.143 9.543 9.149 0.000 -0.552 0.000 3/38880 80.0 5.700 7.598 7.227 0.000 -0.440 0.000 3/38880 90.0 4.735 6.298 5.951 0.000 -0.363 0.000 3/38880 100.0 4.049 5.376 5.051 0.000 -0.308 0.000 3/38880 110.0 3.539 4.694 4.387 0.000 -0.267 0.000 3/38880 120.0 3.145 4.169 3.877 0.000 -0.235 0.000 3/38880 130.0 2.833 3.754 3.475 0.000 -0.209 0.000 3/38880 140.0 2.580 3.418 3.150 0.000 -0.189 0.000 3/38880 150.0 2.370 3.140 2.881 0.000 -0.172 0.000 3/38880 160.0 2.193 2.906 2.656 0.000 -0.157 0.000 3/38880 170.0 2.042 2.707 2.465 0.000 -0.145 0.000 3/38880 180.0 1.912 2.535 2.300 0.000 -0.135 0.000 3/38880 190.0 1.798 2.384 2.157 0.000 -0.126 0.000 3/38880 200.0 1.698 2.251 2.031 0.000 -0.118 0.000 3/38880 210.0 1.608 2.134 1.919 0.000 -0.111 0.000 3/38880 220.0 1.529 2.028 1.820 0.000 -0.105 0.000 3/38880 230.0 1.457 1.933 1.730 0.000 -0.100 0.000 3/38880 240.0 1.392 1.847 1.649 0.000 -0.095 0.000 3/38880 250.0 1.332 1.768 1.576 0.000 -0.090 0.000 3/38880 260.0 1.278 1.696 1.509 0.000 -0.086 0.000 3/38880 270.0 1.228 1.630 1.448 0.000 -0.082 0.000 3/38880 280.0 1.182 1.569 1.392 0.000 -0.079 0.000 3/38880 290.0 1.140 1.513 1.340 0.000 -0.076 0.000 3/38880 300.0 1.100 1.460 1.292 0.000 -0.073 0.000 3/38880 310.0 1.063 1.412 1.247 0.000 -0.070 0.000 3/38880 320.0 1.029 1.366 1.205 0.000 -0.068 0.000 3/38880 330.0 0.997 1.324 1.166 0.000 -0.066 0.000 3/38880 340.0 0.967 1.284 1.130 0.000 -0.064 0.000 3/38880 350.0 0.939 1.246 1.096 0.000 -0.062 0.000 3/38880 360.0 0.912 1.211 1.064 0.000 -0.060 0.000 3/38880 370.0 0.887 1.177 1.034 0.000 -0.058 0.000 3/38880 380.0 0.863 1.146 1.005 0.000 -0.056 0.000 3/38880 390.0 0.841 1.116 0.978 0.000 -0.055 0.000 3/38880 400.0 0.819 1.087 0.953 0.000 -0.053 0.000 3/38880 410.0 0.799 1.060 0.928 0.000 -0.052 0.000 3/38880 420.0 0.780 1.035 0.905 0.000 -0.051 0.000 3/38880 430.0 0.761 1.010 0.884 0.000 -0.049 0.000 3/38880 440.0 0.744 0.987 0.863 0.000 -0.048 0.000 3/38880 450.0 0.727 0.965 0.843 0.000 -0.047 0.000 3/38880 460.0 0.711 0.944 0.824 0.000 -0.046 0.000 3/38880 470.0 0.696 0.923 0.806 0.000 -0.045 0.000 3/38880 480.0 0.681 0.904 0.789 0.000 -0.044 0.000 3/38880 490.0 0.667 0.885 0.772 0.000 -0.043 0.000 3/38880 500.0 0.654 0.867 0.756 0.000 -0.042 0.000 3/38880 510.0 0.641 0.850 0.741 0.000 -0.041 0.000 3/38880 520.0 0.628 0.834 0.726 0.000 -0.040 0.000 3/38880 530.0 0.617 0.818 0.712 0.000 -0.039 0.000 3/38880 540.0 0.605 0.803 0.699 0.000 -0.039 0.000 3/38880 550.0 0.594 0.788 0.686 0.000 -0.038 0.000 3/38880 560.0 0.583 0.774 0.673 0.000 -0.037 0.000 3/38880 570.0 0.573 0.760 0.661 0.000 -0.037 0.000 3/38880 580.0 0.563 0.747 0.650 0.000 -0.036 0.000 3/38880 590.0 0.554 0.734 0.638 0.000 -0.035 0.000 3/38880 600.0 0.544 0.722 0.628 0.000 -0.035 0.000 3/38880 610.0 0.535 0.710 0.617 0.000 -0.034 0.000 3/38880 620.0 0.527 0.698 0.607 0.000 -0.034 0.000 3/38880 630.0 0.518 0.687 0.597 0.000 -0.033 0.000 3/38880 640.0 0.510 0.677 0.588 0.000 -0.032 0.000 3/38880 650.0 0.502 0.666 0.579 0.000 -0.032 0.000 3/38880 660.0 0.495 0.656 0.570 0.000 -0.031 0.000 3/38880 670.0 0.487 0.646 0.561 0.000 -0.031 0.000 3/38880 680.0 0.480 0.637 0.553 0.000 -0.031 0.000 3/38880 690.0 0.473 0.627 0.545 0.000 -0.030 0.000 3/38880 700.0 0.466 0.618 0.537 0.000 -0.030 0.000 3/38880 710.0 0.460 0.610 0.529 0.000 -0.029 0.000 3/38880 720.0 0.453 0.601 0.522 0.000 -0.029 0.000 3/38880 730.0 0.447 0.593 0.514 0.000 -0.028 0.000 3/38880 740.0 0.441 0.585 0.507 0.000 -0.028 0.000 3/38880 750.0 0.435 0.577 0.500 0.000 -0.028 0.000 3/38880 760.0 0.429 0.569 0.494 0.000 -0.027 0.000 3/38880 770.0 0.424 0.562 0.487 0.000 -0.027 0.000 3/38880 780.0 0.418 0.555 0.481 0.000 -0.027 0.000 3/38880 790.0 0.413 0.548 0.475 0.000 -0.026 0.000 3/38880 800.0 0.408 0.541 0.469 0.000 -0.026 0.000 3/38880 810.0 0.403 0.534 0.463 0.000 -0.026 0.000 3/38880 820.0 0.398 0.528 0.457 0.000 -0.025 0.000 3/38880 830.0 0.393 0.521 0.452 0.000 -0.025 0.000 3/38880 840.0 0.388 0.515 0.446 0.000 -0.025 0.000 3/38880 850.0 0.384 0.509 0.441 0.000 -0.024 0.000 3/38880 860.0 0.379 0.503 0.436 0.000 -0.024 0.000 3/38880 870.0 0.375 0.497 0.431 0.000 -0.024 0.000 3/38880 880.0 0.371 0.492 0.426 0.000 -0.023 0.000 3/38880 890.0 0.367 0.486 0.421 0.000 -0.023 0.000 3/38880 900.0 0.363 0.481 0.416 0.000 -0.023 0.000 3/38880 910.0 0.359 0.475 0.412 0.000 -0.023 0.000 3/38880 920.0 0.355 0.470 0.407 0.000 -0.022 0.000 3/38880 930.0 0.351 0.465 0.403 0.000 -0.022 0.000 3/38880 940.0 0.347 0.460 0.398 0.000 -0.022 0.000 3/38880 950.0 0.343 0.455 0.394 0.000 -0.022 0.000 3/38880 960.0 0.340 0.450 0.390 0.000 -0.021 0.000 3/38880 970.0 0.336 0.446 0.386 0.000 -0.021 0.000 3/38880 980.0 0.333 0.441 0.382 0.000 -0.021 0.000 3/38880 990.0 0.330 0.437 0.378 0.000 -0.021 0.000 3/38880 1000.0 0.326 0.432 0.374 0.000 -0.021 0.000 3/38880 Thermal conductivity related properties were written into "kappa-m694.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:22:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|