# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/f236ba30-9179-439f-b0de-abee4142d99c/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Pr5C2Br9 / P2_1/c (14) / materials id 29416](https://mdr.nims.go.jp/datasets/5b89badb-5967-451f-a052-01e9959c2c35) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 08:06:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 1 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 10.117292490029016 0.000000000000000 0.000000000000000 b 0.000000000000000 18.852822440000001 0.000000000000000 c -6.691178546250439 0.000000000000000 9.910089984795553Atomic positions (fractional): *1 C 0.56303327666994 0.61599842760223 0.31416113284582 12.011 2 C 0.43696672333006 0.11599842760223 0.18583886715418 12.011 3 C 0.43696672333006 0.38400157239777 0.68583886715418 12.011 4 C 0.56303327666994 0.88400157239777 0.81416113284582 12.011 *5 C 0.66967146621518 0.67468557637400 0.34708865190199 12.011 6 C 0.33032853378482 0.17468557637400 0.15291134809801 12.011 7 C 0.33032853378482 0.32531442362600 0.65291134809801 12.011 8 C 0.66967146621518 0.82531442362600 0.84708865190199 12.011 *9 Br 0.90384473249476 0.53177735696884 0.33305548708347 79.904 10 Br 0.09615526750524 0.03177735696884 0.16694451291653 79.904 11 Br 0.09615526750524 0.46822264303116 0.66694451291653 79.904 12 Br 0.90384473249476 0.96822264303116 0.83305548708347 79.904 *13 Br 0.32466334723673 0.97209298968078 0.49079103912913 79.904 14 Br 0.67533665276327 0.47209298968078 0.00920896087087 79.904 15 Br 0.67533665276327 0.02790701031922 0.50920896087087 79.904 16 Br 0.32466334723673 0.52790701031922 0.99079103912913 79.904 *17 Br 0.65439046499719 0.44775200813706 0.50246558414761 79.904 18 Br 0.34560953500281 0.94775200813706 0.99753441585239 79.904 19 Br 0.34560953500281 0.55224799186294 0.49753441585239 79.904 20 Br 0.65439046499719 0.05224799186294 0.00246558414761 79.904 *21 Br 0.13028288449779 0.62616686513696 0.15147142328674 79.904 22 Br 0.86971711550221 0.12616686513696 0.34852857671326 79.904 23 Br 0.86971711550221 0.37383313486304 0.84852857671326 79.904 24 Br 0.13028288449779 0.87383313486304 0.65147142328674 79.904 *25 Br 0.87107291470216 0.58772306001352 0.78698655184845 79.904 26 Br 0.12892708529784 0.08772306001352 0.71301344815155 79.904 27 Br 0.12892708529784 0.41227693998648 0.21301344815155 79.904 28 Br 0.87107291470216 0.91227693998648 0.28698655184845 79.904 *29 Br 0.56659571509477 0.86390423227051 0.34574829077816 79.904 30 Br 0.43340428490523 0.36390423227051 0.15425170922184 79.904 31 Br 0.43340428490523 0.13609576772949 0.65425170922184 79.904 32 Br 0.56659571509477 0.63609576772949 0.84574829077816 79.904 *33 Br 0.10689406411882 0.82398398633763 0.09831741643031 79.904 34 Br 0.89310593588118 0.32398398633763 0.40168258356969 79.904 35 Br 0.89310593588118 0.17601601366237 0.90168258356969 79.904 36 Br 0.10689406411882 0.67601601366237 0.59831741643031 79.904 *37 Br 0.84836311975083 0.77173723033202 0.67390199405644 79.904 38 Br 0.15163688024917 0.27173723033202 0.82609800594356 79.904 39 Br 0.15163688024917 0.22826276966798 0.32609800594356 79.904 40 Br 0.84836311975083 0.72826276966798 0.17390199405644 79.904 *41 Br 0.37566813612098 0.76502803924728 0.50335500972547 79.904 42 Br 0.62433186387902 0.26502803924728 0.99664499027453 79.904 43 Br 0.62433186387902 0.23497196075272 0.49664499027453 79.904 44 Br 0.37566813612098 0.73497196075272 0.00335500972547 79.904 *45 Pr 0.82376637207743 0.58272029601296 0.52044087131455 140.908 46 Pr 0.17623362792257 0.08272029601296 0.97955912868545 140.908 47 Pr 0.17623362792257 0.41727970398704 0.47955912868544 140.908 48 Pr 0.82376637207743 0.91727970398704 0.02044087131455 140.908 *49 Pr 0.84269065169444 0.76959232699572 0.40865314162505 140.908 50 Pr 0.15730934830556 0.26959232699572 0.09134685837496 140.908 51 Pr 0.15730934830556 0.23040767300428 0.59134685837496 140.908 52 Pr 0.84269065169444 0.73040767300428 0.90865314162504 140.908 *53 Pr 0.40376250281058 0.72352148716713 0.27036120295940 140.908 54 Pr 0.59623749718942 0.22352148716713 0.22963879704060 140.908 55 Pr 0.59623749718942 0.27647851283287 0.72963879704060 140.908 56 Pr 0.40376250281058 0.77647851283287 0.77036120295940 140.908 *57 Pr 0.38841784604345 0.52142689626191 0.26188474466507 140.908 58 Pr 0.61158215395655 0.02142689626191 0.23811525533493 140.908 59 Pr 0.61158215395655 0.47857310373809 0.73811525533493 140.908 60 Pr 0.38841784604345 0.97857310373809 0.76188474466507 140.908 *61 Pr 0.61924117868614 0.61580411937899 0.13580321081547 140.908 62 Pr 0.38075882131386 0.11580411937899 0.36419678918453 140.908 63 Pr 0.38075882131386 0.38419588062101 0.86419678918453 140.908 64 Pr 0.61924117868614 0.88419588062101 0.63580321081547 140.908-------------------------------- unit cell ---------------------------------Lattice vectors: a 10.117292490029016 0.000000000000000 0.000000000000000 b 0.000000000000000 18.852822440000001 0.000000000000000 c -6.691178546250439 0.000000000000000 9.910089984795553Atomic positions (fractional): *1 C 0.56303327666994 0.61599842760223 0.31416113284582 12.011 > 1 2 C 0.43696672333006 0.11599842760223 0.18583886715418 12.011 > 2 3 C 0.43696672333006 0.38400157239777 0.68583886715418 12.011 > 3 4 C 0.56303327666994 0.88400157239777 0.81416113284582 12.011 > 4 *5 C 0.66967146621518 0.67468557637400 0.34708865190199 12.011 > 5 6 C 0.33032853378482 0.17468557637400 0.15291134809801 12.011 > 6 7 C 0.33032853378482 0.32531442362600 0.65291134809801 12.011 > 7 8 C 0.66967146621518 0.82531442362600 0.84708865190199 12.011 > 8 *9 Br 0.90384473249476 0.53177735696884 0.33305548708347 79.904 > 9 10 Br 0.09615526750524 0.03177735696884 0.16694451291653 79.904 > 10 11 Br 0.09615526750524 0.46822264303116 0.66694451291653 79.904 > 11 12 Br 0.90384473249476 0.96822264303116 0.83305548708347 79.904 > 12 *13 Br 0.32466334723673 0.97209298968078 0.49079103912913 79.904 > 13 14 Br 0.67533665276327 0.47209298968078 0.00920896087087 79.904 > 14 15 Br 0.67533665276327 0.02790701031922 0.50920896087087 79.904 > 15 16 Br 0.32466334723673 0.52790701031922 0.99079103912913 79.904 > 16 *17 Br 0.65439046499719 0.44775200813706 0.50246558414761 79.904 > 17 18 Br 0.34560953500281 0.94775200813706 0.99753441585239 79.904 > 18 19 Br 0.34560953500281 0.55224799186294 0.49753441585239 79.904 > 19 20 Br 0.65439046499719 0.05224799186294 0.00246558414761 79.904 > 20 *21 Br 0.13028288449779 0.62616686513696 0.15147142328674 79.904 > 21 22 Br 0.86971711550221 0.12616686513696 0.34852857671326 79.904 > 22 23 Br 0.86971711550221 0.37383313486304 0.84852857671326 79.904 > 23 24 Br 0.13028288449779 0.87383313486304 0.65147142328674 79.904 > 24 *25 Br 0.87107291470216 0.58772306001352 0.78698655184845 79.904 > 25 26 Br 0.12892708529784 0.08772306001352 0.71301344815155 79.904 > 26 27 Br 0.12892708529784 0.41227693998648 0.21301344815155 79.904 > 27 28 Br 0.87107291470216 0.91227693998648 0.28698655184845 79.904 > 28 *29 Br 0.56659571509477 0.86390423227051 0.34574829077816 79.904 > 29 30 Br 0.43340428490523 0.36390423227051 0.15425170922184 79.904 > 30 31 Br 0.43340428490523 0.13609576772949 0.65425170922184 79.904 > 31 32 Br 0.56659571509477 0.63609576772949 0.84574829077816 79.904 > 32 *33 Br 0.10689406411882 0.82398398633763 0.09831741643031 79.904 > 33 34 Br 0.89310593588118 0.32398398633763 0.40168258356969 79.904 > 34 35 Br 0.89310593588118 0.17601601366237 0.90168258356969 79.904 > 35 36 Br 0.10689406411882 0.67601601366237 0.59831741643031 79.904 > 36 *37 Br 0.84836311975083 0.77173723033202 0.67390199405644 79.904 > 37 38 Br 0.15163688024917 0.27173723033202 0.82609800594356 79.904 > 38 39 Br 0.15163688024917 0.22826276966798 0.32609800594356 79.904 > 39 40 Br 0.84836311975083 0.72826276966798 0.17390199405644 79.904 > 40 *41 Br 0.37566813612098 0.76502803924728 0.50335500972547 79.904 > 41 42 Br 0.62433186387902 0.26502803924728 0.99664499027453 79.904 > 42 43 Br 0.62433186387902 0.23497196075272 0.49664499027453 79.904 > 43 44 Br 0.37566813612098 0.73497196075272 0.00335500972547 79.904 > 44 *45 Pr 0.82376637207743 0.58272029601296 0.52044087131455 140.908 > 45 46 Pr 0.17623362792257 0.08272029601296 0.97955912868545 140.908 > 46 47 Pr 0.17623362792257 0.41727970398704 0.47955912868544 140.908 > 47 48 Pr 0.82376637207743 0.91727970398704 0.02044087131455 140.908 > 48 *49 Pr 0.84269065169444 0.76959232699572 0.40865314162505 140.908 > 49 50 Pr 0.15730934830556 0.26959232699572 0.09134685837496 140.908 > 50 51 Pr 0.15730934830556 0.23040767300428 0.59134685837496 140.908 > 51 52 Pr 0.84269065169444 0.73040767300428 0.90865314162504 140.908 > 52 *53 Pr 0.40376250281058 0.72352148716713 0.27036120295940 140.908 > 53 54 Pr 0.59623749718942 0.22352148716713 0.22963879704060 140.908 > 54 55 Pr 0.59623749718942 0.27647851283287 0.72963879704060 140.908 > 55 56 Pr 0.40376250281058 0.77647851283287 0.77036120295940 140.908 > 56 *57 Pr 0.38841784604345 0.52142689626191 0.26188474466507 140.908 > 57 58 Pr 0.61158215395655 0.02142689626191 0.23811525533493 140.908 > 58 59 Pr 0.61158215395655 0.47857310373809 0.73811525533493 140.908 > 59 60 Pr 0.38841784604345 0.97857310373809 0.76188474466507 140.908 > 60 *61 Pr 0.61924117868614 0.61580411937899 0.13580321081547 140.908 > 61 62 Pr 0.38075882131386 0.11580411937899 0.36419678918453 140.908 > 62 63 Pr 0.38075882131386 0.38419588062101 0.86419678918453 140.908 > 63 64 Pr 0.61924117868614 0.88419588062101 0.63580321081547 140.908 > 64-------------------------------- super cell --------------------------------Lattice vectors: a 20.234584980058031 0.000000000000000 0.000000000000000 b 0.000000000000000 18.852822440000001 0.000000000000000 c -6.691178546250439 0.000000000000000 9.910089984795553Atomic positions (fractional): *1 C 0.28151663833497 0.61599842760223 0.31416113284582 12.011 > 1 2 C 0.78151663833497 0.61599842760223 0.31416113284582 12.011 > 1 3 C 0.21848336166503 0.11599842760223 0.18583886715418 12.011 > 2 4 C 0.71848336166503 0.11599842760223 0.18583886715418 12.011 > 2 5 C 0.21848336166503 0.38400157239777 0.68583886715418 12.011 > 3 6 C 0.71848336166503 0.38400157239777 0.68583886715418 12.011 > 3 7 C 0.28151663833497 0.88400157239777 0.81416113284582 12.011 > 4 8 C 0.78151663833497 0.88400157239777 0.81416113284582 12.011 > 4 *9 C 0.33483573310759 0.67468557637400 0.34708865190199 12.011 > 5 10 C 0.83483573310759 0.67468557637400 0.34708865190199 12.011 > 5 11 C 0.16516426689241 0.17468557637400 0.15291134809801 12.011 > 6 12 C 0.66516426689241 0.17468557637400 0.15291134809801 12.011 > 6 13 C 0.16516426689241 0.32531442362600 0.65291134809801 12.011 > 7 14 C 0.66516426689241 0.32531442362600 0.65291134809801 12.011 > 7 15 C 0.33483573310759 0.82531442362600 0.84708865190199 12.011 > 8 16 C 0.83483573310759 0.82531442362600 0.84708865190199 12.011 > 8 *17 Br 0.45192236624738 0.53177735696884 0.33305548708347 79.904 > 9 18 Br 0.95192236624738 0.53177735696884 0.33305548708347 79.904 > 9 19 Br 0.04807763375262 0.03177735696884 0.16694451291653 79.904 > 10 20 Br 0.54807763375262 0.03177735696884 0.16694451291653 79.904 > 10 21 Br 0.04807763375262 0.46822264303116 0.66694451291653 79.904 > 11 22 Br 0.54807763375262 0.46822264303116 0.66694451291653 79.904 > 11 23 Br 0.45192236624738 0.96822264303116 0.83305548708347 79.904 > 12 24 Br 0.95192236624738 0.96822264303116 0.83305548708347 79.904 > 12 *25 Br 0.16233167361836 0.97209298968078 0.49079103912913 79.904 > 13 26 Br 0.66233167361836 0.97209298968078 0.49079103912913 79.904 > 13 27 Br 0.33766832638164 0.47209298968078 0.00920896087087 79.904 > 14 28 Br 0.83766832638164 0.47209298968078 0.00920896087087 79.904 > 14 29 Br 0.33766832638164 0.02790701031922 0.50920896087087 79.904 > 15 30 Br 0.83766832638164 0.02790701031922 0.50920896087087 79.904 > 15 31 Br 0.16233167361836 0.52790701031922 0.99079103912913 79.904 > 16 32 Br 0.66233167361836 0.52790701031922 0.99079103912913 79.904 > 16 *33 Br 0.32719523249859 0.44775200813706 0.50246558414761 79.904 > 17 34 Br 0.82719523249859 0.44775200813706 0.50246558414761 79.904 > 17 35 Br 0.17280476750141 0.94775200813706 0.99753441585239 79.904 > 18 36 Br 0.67280476750141 0.94775200813706 0.99753441585239 79.904 > 18 37 Br 0.17280476750141 0.55224799186294 0.49753441585239 79.904 > 19 38 Br 0.67280476750141 0.55224799186294 0.49753441585239 79.904 > 19 39 Br 0.32719523249859 0.05224799186294 0.00246558414761 79.904 > 20 40 Br 0.82719523249859 0.05224799186294 0.00246558414761 79.904 > 20 *41 Br 0.06514144224889 0.62616686513696 0.15147142328674 79.904 > 21 42 Br 0.56514144224889 0.62616686513696 0.15147142328674 79.904 > 21 43 Br 0.43485855775111 0.12616686513696 0.34852857671326 79.904 > 22 44 Br 0.93485855775111 0.12616686513696 0.34852857671326 79.904 > 22 45 Br 0.43485855775111 0.37383313486304 0.84852857671326 79.904 > 23 46 Br 0.93485855775111 0.37383313486304 0.84852857671326 79.904 > 23 47 Br 0.06514144224889 0.87383313486304 0.65147142328674 79.904 > 24 48 Br 0.56514144224889 0.87383313486304 0.65147142328674 79.904 > 24 *49 Br 0.43553645735108 0.58772306001352 0.78698655184845 79.904 > 25 50 Br 0.93553645735108 0.58772306001352 0.78698655184845 79.904 > 25 51 Br 0.06446354264892 0.08772306001352 0.71301344815155 79.904 > 26 52 Br 0.56446354264892 0.08772306001352 0.71301344815155 79.904 > 26 53 Br 0.06446354264892 0.41227693998648 0.21301344815155 79.904 > 27 54 Br 0.56446354264892 0.41227693998648 0.21301344815155 79.904 > 27 55 Br 0.43553645735108 0.91227693998648 0.28698655184845 79.904 > 28 56 Br 0.93553645735108 0.91227693998648 0.28698655184845 79.904 > 28 *57 Br 0.28329785754738 0.86390423227051 0.34574829077816 79.904 > 29 58 Br 0.78329785754738 0.86390423227051 0.34574829077816 79.904 > 29 59 Br 0.21670214245262 0.36390423227051 0.15425170922184 79.904 > 30 60 Br 0.71670214245262 0.36390423227051 0.15425170922184 79.904 > 30 61 Br 0.21670214245262 0.13609576772949 0.65425170922184 79.904 > 31 62 Br 0.71670214245262 0.13609576772949 0.65425170922184 79.904 > 31 63 Br 0.28329785754738 0.63609576772949 0.84574829077816 79.904 > 32 64 Br 0.78329785754738 0.63609576772949 0.84574829077816 79.904 > 32 *65 Br 0.05344703205941 0.82398398633763 0.09831741643031 79.904 > 33 66 Br 0.55344703205941 0.82398398633763 0.09831741643031 79.904 > 33 67 Br 0.44655296794059 0.32398398633763 0.40168258356969 79.904 > 34 68 Br 0.94655296794059 0.32398398633763 0.40168258356969 79.904 > 34 69 Br 0.44655296794059 0.17601601366237 0.90168258356969 79.904 > 35 70 Br 0.94655296794059 0.17601601366237 0.90168258356969 79.904 > 35 71 Br 0.05344703205941 0.67601601366237 0.59831741643031 79.904 > 36 72 Br 0.55344703205941 0.67601601366237 0.59831741643031 79.904 > 36 *73 Br 0.42418155987542 0.77173723033202 0.67390199405644 79.904 > 37 74 Br 0.92418155987542 0.77173723033202 0.67390199405644 79.904 > 37 75 Br 0.07581844012458 0.27173723033202 0.82609800594356 79.904 > 38 76 Br 0.57581844012458 0.27173723033202 0.82609800594356 79.904 > 38 77 Br 0.07581844012458 0.22826276966798 0.32609800594356 79.904 > 39 78 Br 0.57581844012458 0.22826276966798 0.32609800594356 79.904 > 39 79 Br 0.42418155987542 0.72826276966798 0.17390199405644 79.904 > 40 80 Br 0.92418155987542 0.72826276966798 0.17390199405644 79.904 > 40 *81 Br 0.18783406806049 0.76502803924728 0.50335500972547 79.904 > 41 82 Br 0.68783406806049 0.76502803924728 0.50335500972547 79.904 > 41 83 Br 0.31216593193951 0.26502803924728 0.99664499027453 79.904 > 42 84 Br 0.81216593193951 0.26502803924728 0.99664499027453 79.904 > 42 85 Br 0.31216593193951 0.23497196075272 0.49664499027453 79.904 > 43 86 Br 0.81216593193951 0.23497196075272 0.49664499027453 79.904 > 43 87 Br 0.18783406806049 0.73497196075272 0.00335500972547 79.904 > 44 88 Br 0.68783406806049 0.73497196075272 0.00335500972547 79.904 > 44 *89 Pr 0.41188318603872 0.58272029601296 0.52044087131455 140.908 > 45 90 Pr 0.91188318603872 0.58272029601296 0.52044087131455 140.908 > 45 91 Pr 0.08811681396128 0.08272029601296 0.97955912868545 140.908 > 46 92 Pr 0.58811681396128 0.08272029601296 0.97955912868545 140.908 > 46 93 Pr 0.08811681396128 0.41727970398704 0.47955912868544 140.908 > 47 94 Pr 0.58811681396128 0.41727970398704 0.47955912868544 140.908 > 47 95 Pr 0.41188318603872 0.91727970398704 0.02044087131455 140.908 > 48 96 Pr 0.91188318603872 0.91727970398704 0.02044087131455 140.908 > 48 *97 Pr 0.42134532584722 0.76959232699572 0.40865314162505 140.908 > 49 98 Pr 0.92134532584722 0.76959232699572 0.40865314162505 140.908 > 49 99 Pr 0.07865467415278 0.26959232699572 0.09134685837496 140.908 > 50 100 Pr 0.57865467415278 0.26959232699572 0.09134685837496 140.908 > 50 101 Pr 0.07865467415278 0.23040767300428 0.59134685837496 140.908 > 51 102 Pr 0.57865467415278 0.23040767300428 0.59134685837496 140.908 > 51 103 Pr 0.42134532584722 0.73040767300428 0.90865314162504 140.908 > 52 104 Pr 0.92134532584722 0.73040767300428 0.90865314162504 140.908 > 52 *105 Pr 0.20188125140529 0.72352148716713 0.27036120295940 140.908 > 53 106 Pr 0.70188125140529 0.72352148716713 0.27036120295940 140.908 > 53 107 Pr 0.29811874859471 0.22352148716713 0.22963879704060 140.908 > 54 108 Pr 0.79811874859471 0.22352148716713 0.22963879704060 140.908 > 54 109 Pr 0.29811874859471 0.27647851283287 0.72963879704060 140.908 > 55 110 Pr 0.79811874859471 0.27647851283287 0.72963879704060 140.908 > 55 111 Pr 0.20188125140529 0.77647851283287 0.77036120295940 140.908 > 56 112 Pr 0.70188125140529 0.77647851283287 0.77036120295940 140.908 > 56 *113 Pr 0.19420892302172 0.52142689626191 0.26188474466507 140.908 > 57 114 Pr 0.69420892302172 0.52142689626191 0.26188474466507 140.908 > 57 115 Pr 0.30579107697828 0.02142689626191 0.23811525533493 140.908 > 58 116 Pr 0.80579107697828 0.02142689626191 0.23811525533493 140.908 > 58 117 Pr 0.30579107697828 0.47857310373809 0.73811525533493 140.908 > 59 118 Pr 0.80579107697828 0.47857310373809 0.73811525533493 140.908 > 59 119 Pr 0.19420892302172 0.97857310373809 0.76188474466507 140.908 > 60 120 Pr 0.69420892302172 0.97857310373809 0.76188474466507 140.908 > 60 *121 Pr 0.30962058934307 0.61580411937899 0.13580321081547 140.908 > 61 122 Pr 0.80962058934307 0.61580411937899 0.13580321081547 140.908 > 61 123 Pr 0.19037941065693 0.11580411937899 0.36419678918453 140.908 > 62 124 Pr 0.69037941065693 0.11580411937899 0.36419678918453 140.908 > 62 125 Pr 0.19037941065693 0.38419588062101 0.86419678918453 140.908 > 63 126 Pr 0.69037941065693 0.38419588062101 0.86419678918453 140.908 > 63 127 Pr 0.30962058934307 0.88419588062101 0.63580321081547 140.908 > 64 128 Pr 0.80962058934307 0.88419588062101 0.63580321081547 140.908 > 64----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.0996805 0.0000000 0.0330457 0.0000000 5.6330854 0.0000000 0.0330362 0.0000000 4.9927732-------------------------- Born effective charges -------------------------- 1 C -2.0122184 -0.1120531 -0.0022396 -0.3802716 -2.2668981 0.3261136 -0.1751191 0.1419056 -1.5777599 2 C -2.0122184 0.1120531 -0.0022396 0.3802716 -2.2668981 -0.3261136 -0.1751191 -0.1419056 -1.5777599 3 C -2.0122184 -0.1120531 -0.0022396 -0.3802716 -2.2668981 0.3261136 -0.1751191 0.1419056 -1.5777599 4 C -2.0122184 0.1120531 -0.0022396 0.3802716 -2.2668981 -0.3261136 -0.1751191 -0.1419056 -1.5777599 5 C -2.1139553 -0.2254320 -0.3137580 -0.2436015 -2.6976953 -0.4458729 -0.2803003 -0.1043901 -2.0278752 6 C -2.1139553 0.2254320 -0.3137580 0.2436015 -2.6976953 0.4458729 -0.2803003 0.1043901 -2.0278752 7 C -2.1139553 -0.2254320 -0.3137580 -0.2436015 -2.6976953 -0.4458729 -0.2803003 -0.1043901 -2.0278752 8 C -2.1139553 0.2254320 -0.3137580 0.2436015 -2.6976953 0.4458729 -0.2803003 0.1043901 -2.0278752 9 Br -1.4322672 0.9005734 -0.2715803 0.9716684 -1.2796037 0.3925486 -0.2700275 0.4895872 -1.3837052 10 Br -1.4322672 -0.9005734 -0.2715803 -0.9716684 -1.2796037 -0.3925486 -0.2700275 -0.4895872 -1.3837052 11 Br -1.4322672 0.9005734 -0.2715803 0.9716684 -1.2796037 0.3925486 -0.2700275 0.4895872 -1.3837052 12 Br -1.4322672 -0.9005734 -0.2715803 -0.9716684 -1.2796037 -0.3925486 -0.2700275 -0.4895872 -1.3837052 13 Br -0.7953047 0.0414791 0.2074415 0.0129831 -1.4083596 0.4951111 0.3567745 0.6356970 -1.4602959 14 Br -0.7953047 -0.0414791 0.2074415 -0.0129831 -1.4083596 -0.4951111 0.3567745 -0.6356970 -1.4602959 15 Br -0.7953047 0.0414791 0.2074415 0.0129831 -1.4083596 0.4951111 0.3567745 0.6356970 -1.4602959 16 Br -0.7953047 -0.0414791 0.2074415 -0.0129831 -1.4083596 -0.4951111 0.3567745 -0.6356970 -1.4602959 17 Br -1.0300568 -0.2590135 0.4005587 -0.3982830 -1.1598593 0.5684180 0.2922642 0.2729762 -1.3178231 18 Br -1.0300568 0.2590135 0.4005587 0.3982830 -1.1598593 -0.5684180 0.2922642 -0.2729762 -1.3178231 19 Br -1.0300568 -0.2590135 0.4005587 -0.3982830 -1.1598593 0.5684180 0.2922642 0.2729762 -1.3178231 20 Br -1.0300568 0.2590135 0.4005587 0.3982830 -1.1598593 -0.5684180 0.2922642 -0.2729762 -1.3178231 21 Br -1.4720173 0.3219544 -0.8160188 0.2442661 -1.2295598 0.4464350 -0.7154056 0.3814733 -1.1918964 22 Br -1.4720173 -0.3219544 -0.8160188 -0.2442661 -1.2295598 -0.4464350 -0.7154056 -0.3814733 -1.1918964 23 Br -1.4720173 0.3219544 -0.8160188 0.2442661 -1.2295598 0.4464350 -0.7154056 0.3814733 -1.1918964 24 Br -1.4720173 -0.3219544 -0.8160188 -0.2442661 -1.2295598 -0.4464350 -0.7154056 -0.3814733 -1.1918964 25 Br -1.1991803 -0.0566066 0.5251910 -0.2202388 -1.7499996 -0.4984617 0.5383440 -0.3337912 -1.3752643 26 Br -1.1991803 0.0566066 0.5251910 0.2202388 -1.7499996 0.4984617 0.5383440 0.3337912 -1.3752643 27 Br -1.1991803 -0.0566066 0.5251910 -0.2202388 -1.7499996 -0.4984617 0.5383440 -0.3337912 -1.3752643 28 Br -1.1991803 0.0566066 0.5251910 0.2202388 -1.7499996 0.4984617 0.5383440 0.3337912 -1.3752643 29 Br -0.9130720 0.0456139 0.3511041 -0.0203971 -1.7591321 -0.0504986 0.2724025 0.0522175 -1.0029877 30 Br -0.9130720 -0.0456139 0.3511041 0.0203971 -1.7591321 0.0504986 0.2724025 -0.0522175 -1.0029877 31 Br -0.9130720 0.0456139 0.3511041 -0.0203971 -1.7591321 -0.0504986 0.2724025 0.0522175 -1.0029877 32 Br -0.9130720 -0.0456139 0.3511041 0.0203971 -1.7591321 0.0504986 0.2724025 -0.0522175 -1.0029877 33 Br -1.7061401 0.4519952 -0.8917024 0.4625430 -1.1174791 0.2196774 -0.6880064 0.2461786 -1.1294922 34 Br -1.7061401 -0.4519952 -0.8917024 -0.4625430 -1.1174791 -0.2196774 -0.6880064 -0.2461786 -1.1294922 35 Br -1.7061401 0.4519952 -0.8917024 0.4625430 -1.1174791 0.2196774 -0.6880064 0.2461786 -1.1294922 36 Br -1.7061401 -0.4519952 -0.8917024 -0.4625430 -1.1174791 -0.2196774 -0.6880064 -0.2461786 -1.1294922 37 Br -1.3706376 0.1566856 0.8383612 0.4773634 -0.9743059 -0.2562113 0.7473543 0.0144254 -1.5783771 38 Br -1.3706376 -0.1566856 0.8383612 -0.4773634 -0.9743059 0.2562113 0.7473543 -0.0144254 -1.5783771 39 Br -1.3706376 0.1566856 0.8383612 0.4773634 -0.9743059 -0.2562113 0.7473543 0.0144254 -1.5783771 40 Br -1.3706376 -0.1566856 0.8383612 -0.4773634 -0.9743059 0.2562113 0.7473543 -0.0144254 -1.5783771 41 Br -1.1992483 -0.0126117 0.7153927 -0.0025992 -0.9365097 -0.6523939 0.6320653 -0.5528297 -1.8047778 42 Br -1.1992483 0.0126117 0.7153927 0.0025992 -0.9365097 0.6523939 0.6320653 0.5528297 -1.8047778 43 Br -1.1992483 -0.0126117 0.7153927 -0.0025992 -0.9365097 -0.6523939 0.6320653 -0.5528297 -1.8047778 44 Br -1.1992483 0.0126117 0.7153927 0.0025992 -0.9365097 0.6523939 0.6320653 0.5528297 -1.8047778 45 Pr 2.8966698 -0.4361782 -0.0813589 -0.3707298 2.9351815 -0.6850939 0.1403226 -0.7421412 3.4628779 46 Pr 2.8966698 0.4361782 -0.0813589 0.3707298 2.9351815 0.6850939 0.1403226 0.7421412 3.4628779 47 Pr 2.8966698 -0.4361782 -0.0813589 -0.3707298 2.9351815 -0.6850939 0.1403226 -0.7421412 3.4628779 48 Pr 2.8966698 0.4361782 -0.0813589 0.3707298 2.9351815 0.6850939 0.1403226 0.7421412 3.4628779 49 Pr 3.4494028 0.9748398 0.1721328 1.0888012 3.8584433 0.5367674 -0.1319759 0.5148141 3.3123219 50 Pr 3.4494028 -0.9748398 0.1721328 -1.0888012 3.8584433 -0.5367674 -0.1319759 -0.5148141 3.3123219 51 Pr 3.4494028 0.9748398 0.1721328 1.0888012 3.8584433 0.5367674 -0.1319759 0.5148141 3.3123219 52 Pr 3.4494028 -0.9748398 0.1721328 -1.0888012 3.8584433 -0.5367674 -0.1319759 -0.5148141 3.3123219 53 Pr 3.5819237 -1.1439904 -0.0323329 -1.0671505 2.7475092 -0.0753857 0.0046711 0.0117580 2.8594044 54 Pr 3.5819237 1.1439904 -0.0323329 1.0671505 2.7475092 0.0753857 0.0046711 -0.0117580 2.8594044 55 Pr 3.5819237 -1.1439904 -0.0323329 -1.0671505 2.7475092 -0.0753857 0.0046711 0.0117580 2.8594044 56 Pr 3.5819237 1.1439904 -0.0323329 1.0671505 2.7475092 0.0753857 0.0046711 -0.0117580 2.8594044 57 Pr 2.8633178 0.8357085 -0.2494415 1.1533286 4.2019761 0.0845732 -0.1368694 -0.0131425 2.8310928 58 Pr 2.8633178 -0.8357085 -0.2494415 -1.1533286 4.2019761 -0.0845732 -0.1368694 0.0131425 2.8310928 59 Pr 2.8633178 0.8357085 -0.2494415 1.1533286 4.2019761 0.0845732 -0.1368694 -0.0131425 2.8310928 60 Pr 2.8633178 -0.8357085 -0.2494415 -1.1533286 4.2019761 -0.0845732 -0.1368694 0.0131425 2.8310928 61 Pr 2.4527839 -0.5275596 -0.5517495 -0.4069127 2.8362922 -0.0241441 -0.5864942 0.2100995 3.3845577 62 Pr 2.4527839 0.5275596 -0.5517495 0.4069127 2.8362922 0.0241441 -0.5864942 -0.2100995 3.3845577 63 Pr 2.4527839 -0.5275596 -0.5517495 -0.4069127 2.8362922 -0.0241441 -0.5864942 0.2100995 3.3845577 64 Pr 2.4527839 0.5275596 -0.5517495 0.4069127 2.8362922 0.0241441 -0.5864942 -0.2100995 3.3845577----------------------------------------------------------------------------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: 384/384Permutation basis: 37056/37056Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 9408Number of blocks in projector: 9408Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 2048Use submatrix version of eigh solver.(1) Block: 500 / 2048 (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 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found.(1) 472 eigenvectors found.(1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found.(1) 476 eigenvectors found.(1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 266 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 516 eigenvectors found.(1) Complementary block size: 116(1) Compute compressed projector.(1) Use standard solver.(1) 84 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 2048Use submatrix version of eigh solver.(1) Block: 500 / 2048 (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 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found.(1) 472 eigenvectors found.(1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found.(1) 476 eigenvectors found.(1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 266 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 516 eigenvectors found.(1) Complementary block size: 116(1) Compute compressed projector.(1) Use standard solver.(1) 84 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 2048Use submatrix version of eigh solver.(1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found.(1) 469 eigenvectors found.(1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found.(1) 473 eigenvectors found.(1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found.(1) 477 eigenvectors found.(1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 233 eigenvectors found. (2) Block: 548 / 548 (2) 285 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found.(1) 531 eigenvectors found.(1) Complementary block size: 98(1) Compute compressed projector.(1) Use standard solver.(1) 67 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 1088Use submatrix version of eigh solver.(1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found.(1) 572 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 1088Use submatrix version of eigh solver.(1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found.(1) 572 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 1088Use submatrix version of eigh solver.(1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 237 eigenvectors found. (2) Block: 500 / 588 (2) 240 eigenvectors found. (2) Block: 588 / 588 (2) 82 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 575 eigenvectors found.(1) Complementary block size: 29(1) Compute compressed projector.(1) Use standard solver.(1) 13 eigenvectors found.Tree of FC basis block matrices:- (9408, 9265), data: False|-- (1088, 1072), data: False |-- (1088, 13), data: (1088, 29) @ (29, 13) |-- (588, 575), data: False |-- (588, 16), data: (588, 29) @ (29, 16) |-- (88, 82), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True|-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 22), data: (588, 38) @ (38, 22) |-- (88, 73), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True|-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 22), data: (588, 38) @ (38, 22) |-- (88, 73), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True|-- (2048, 2017), data: False |-- (2048, 67), data: (2048, 98) @ (98, 67) |-- (548, 531), data: False |-- (548, 13), data: (548, 30) @ (30, 13) |-- (298, 285), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True|-- (2048, 2016), data: False |-- (2048, 84), data: (2048, 116) @ (116, 84) |-- (548, 516), data: False |-- (548, 18), data: (548, 50) @ (50, 18) |-- (298, 266), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), 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|-- (2048, 2016), data: False |-- (2048, 84), data: (2048, 116) @ (116, 84) |-- (548, 516), data: False |-- (548, 18), data: (548, 50) @ (50, 18) |-- (298, 266), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), 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 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 1920 - Time: 2.826Solver_block: 200 / 1920 - Time: 2.488Solver_block: 300 / 1920 - Time: 2.474Solver_block: 400 / 1920 - Time: 2.479Solver_block: 500 / 1920 - Time: 2.488Solver_block: 600 / 1920 - Time: 2.484Solver_block: 700 / 1920 - Time: 2.490Solver_block: 800 / 1920 - Time: 2.489Solver_block: 900 / 1920 - Time: 2.486Solver_block: 1000 / 1920 - Time: 2.481Solver_block: 1100 / 1920 - Time: 2.486Solver_block: 1200 / 1920 - Time: 2.492Solver_block: 1300 / 1920 - Time: 2.486Solver_block: 1400 / 1920 - Time: 2.486Solver_block: 1500 / 1920 - Time: 2.492Solver_block: 1600 / 1920 - Time: 2.482Solver_block: 1700 / 1920 - Time: 2.479Solver_block: 1800 / 1920 - Time: 2.483Solver_block: 1900 / 1920 - Time: 2.493Solver_block: 1920 / 1920 - Time: 0.782Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 49.933--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384Permutation basis: 37056/37056Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 9408Number of blocks in projector: 9408Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 2048Use submatrix version of eigh solver.(1) Block: 500 / 2048 (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 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found.(1) 472 eigenvectors found.(1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found.(1) 476 eigenvectors found.(1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 266 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 516 eigenvectors found.(1) Complementary block size: 116(1) Compute compressed projector.(1) Use standard solver.(1) 84 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 2048Use submatrix version of eigh solver.(1) Block: 500 / 2048 (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 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found.(1) 472 eigenvectors found.(1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found.(1) 476 eigenvectors found.(1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 266 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found.(1) 516 eigenvectors found.(1) Complementary block size: 116(1) Compute compressed projector.(1) Use standard solver.(1) 84 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 2048Use submatrix version of eigh solver.(1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found.(1) 469 eigenvectors found.(1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found.(1) 473 eigenvectors found.(1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found.(1) 477 eigenvectors found.(1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 233 eigenvectors found. (2) Block: 548 / 548 (2) 285 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found.(1) 531 eigenvectors found.(1) Complementary block size: 98(1) Compute compressed projector.(1) Use standard solver.(1) 67 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 1088Use submatrix version of eigh solver.(1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found.(1) 572 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 1088Use submatrix version of eigh solver.(1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 238 eigenvectors found. (2) Block: 500 / 588 (2) 239 eigenvectors found. (2) Block: 588 / 588 (2) 73 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found.(1) 572 eigenvectors found.(1) Complementary block size: 32(1) Compute compressed projector.(1) Use standard solver.(1) 16 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 1088Use submatrix version of eigh solver.(1) Block: 500 / 1088 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 1088 / 1088 (2) Block: 250 / 588 (2) 237 eigenvectors found. (2) Block: 500 / 588 (2) 240 eigenvectors found. (2) Block: 588 / 588 (2) 82 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 575 eigenvectors found.(1) Complementary block size: 29(1) Compute compressed projector.(1) Use standard solver.(1) 13 eigenvectors found.Tree of FC basis block matrices:- (9408, 9265), data: False|-- (1088, 1072), data: False |-- (1088, 13), data: (1088, 29) @ (29, 13) |-- (588, 575), data: False |-- (588, 16), data: (588, 29) @ (29, 16) |-- (88, 82), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True|-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 22), data: (588, 38) @ (38, 22) |-- (88, 73), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True|-- (1088, 1072), data: False |-- (1088, 16), data: (1088, 32) @ (32, 16) |-- (588, 572), data: False |-- (588, 22), data: (588, 38) @ (38, 22) |-- (88, 73), data: True |-- (250, 239), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True|-- (2048, 2017), data: False |-- (2048, 67), data: (2048, 98) @ (98, 67) |-- (548, 531), data: False |-- (548, 13), data: (548, 30) @ (30, 13) |-- (298, 285), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True|-- (2048, 2016), data: False |-- (2048, 84), data: (2048, 116) @ (116, 84) |-- (548, 516), data: False |-- (548, 18), data: (548, 50) @ (50, 18) |-- (298, 266), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), 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|-- (2048, 2016), data: False |-- (2048, 84), data: (2048, 116) @ (116, 84) |-- (548, 516), data: False |-- (548, 18), data: (548, 50) @ (50, 18) |-- (298, 266), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: TrueMax 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 2026-01-08 08:08:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 08:08:58]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 1 1]Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 10.117292490029016 0.000000000000000 0.000000000000000 b 0.000000000000000 18.852822440000001 0.000000000000000 c -6.691178546250439 0.000000000000000 9.910089984795553Atomic positions (fractional): 1 C 0.56303327666994 0.61599842760223 0.31416113284582 12.011 2 C 0.43696672333006 0.11599842760223 0.18583886715418 12.011 3 C 0.43696672333006 0.38400157239777 0.68583886715418 12.011 4 C 0.56303327666994 0.88400157239777 0.81416113284582 12.011 5 C 0.66967146621518 0.67468557637400 0.34708865190199 12.011 6 C 0.33032853378482 0.17468557637400 0.15291134809801 12.011 7 C 0.33032853378482 0.32531442362600 0.65291134809801 12.011 8 C 0.66967146621518 0.82531442362600 0.84708865190199 12.011 9 Br 0.90384473249476 0.53177735696884 0.33305548708347 79.904 10 Br 0.09615526750524 0.03177735696884 0.16694451291653 79.904 11 Br 0.09615526750524 0.46822264303116 0.66694451291653 79.904 12 Br 0.90384473249476 0.96822264303116 0.83305548708347 79.904 13 Br 0.32466334723673 0.97209298968078 0.49079103912913 79.904 14 Br 0.67533665276327 0.47209298968078 0.00920896087087 79.904 15 Br 0.67533665276327 0.02790701031922 0.50920896087087 79.904 16 Br 0.32466334723673 0.52790701031922 0.99079103912913 79.904 17 Br 0.65439046499719 0.44775200813706 0.50246558414761 79.904 18 Br 0.34560953500281 0.94775200813706 0.99753441585239 79.904 19 Br 0.34560953500281 0.55224799186294 0.49753441585239 79.904 20 Br 0.65439046499719 0.05224799186294 0.00246558414761 79.904 21 Br 0.13028288449779 0.62616686513696 0.15147142328674 79.904 22 Br 0.86971711550221 0.12616686513696 0.34852857671326 79.904 23 Br 0.86971711550221 0.37383313486304 0.84852857671326 79.904 24 Br 0.13028288449779 0.87383313486304 0.65147142328674 79.904 25 Br 0.87107291470216 0.58772306001352 0.78698655184845 79.904 26 Br 0.12892708529784 0.08772306001352 0.71301344815155 79.904 27 Br 0.12892708529784 0.41227693998648 0.21301344815155 79.904 28 Br 0.87107291470216 0.91227693998648 0.28698655184845 79.904 29 Br 0.56659571509477 0.86390423227051 0.34574829077816 79.904 30 Br 0.43340428490523 0.36390423227051 0.15425170922184 79.904 31 Br 0.43340428490523 0.13609576772949 0.65425170922184 79.904 32 Br 0.56659571509477 0.63609576772949 0.84574829077816 79.904 33 Br 0.10689406411882 0.82398398633763 0.09831741643031 79.904 34 Br 0.89310593588118 0.32398398633763 0.40168258356969 79.904 35 Br 0.89310593588118 0.17601601366237 0.90168258356969 79.904 36 Br 0.10689406411882 0.67601601366237 0.59831741643031 79.904 37 Br 0.84836311975083 0.77173723033202 0.67390199405644 79.904 38 Br 0.15163688024917 0.27173723033202 0.82609800594356 79.904 39 Br 0.15163688024917 0.22826276966798 0.32609800594356 79.904 40 Br 0.84836311975083 0.72826276966798 0.17390199405644 79.904 41 Br 0.37566813612098 0.76502803924728 0.50335500972547 79.904 42 Br 0.62433186387902 0.26502803924728 0.99664499027453 79.904 43 Br 0.62433186387902 0.23497196075272 0.49664499027453 79.904 44 Br 0.37566813612098 0.73497196075272 0.00335500972547 79.904 45 Pr 0.82376637207743 0.58272029601296 0.52044087131455 140.908 46 Pr 0.17623362792257 0.08272029601296 0.97955912868545 140.908 47 Pr 0.17623362792257 0.41727970398704 0.47955912868544 140.908 48 Pr 0.82376637207743 0.91727970398704 0.02044087131455 140.908 49 Pr 0.84269065169444 0.76959232699572 0.40865314162505 140.908 50 Pr 0.15730934830556 0.26959232699572 0.09134685837496 140.908 51 Pr 0.15730934830556 0.23040767300428 0.59134685837496 140.908 52 Pr 0.84269065169444 0.73040767300428 0.90865314162504 140.908 53 Pr 0.40376250281058 0.72352148716713 0.27036120295940 140.908 54 Pr 0.59623749718942 0.22352148716713 0.22963879704060 140.908 55 Pr 0.59623749718942 0.27647851283287 0.72963879704060 140.908 56 Pr 0.40376250281058 0.77647851283287 0.77036120295940 140.908 57 Pr 0.38841784604345 0.52142689626191 0.26188474466507 140.908 58 Pr 0.61158215395655 0.02142689626191 0.23811525533493 140.908 59 Pr 0.61158215395655 0.47857310373809 0.73811525533493 140.908 60 Pr 0.38841784604345 0.97857310373809 0.76188474466507 140.908 61 Pr 0.61924117868614 0.61580411937899 0.13580321081547 140.908 62 Pr 0.38075882131386 0.11580411937899 0.36419678918453 140.908 63 Pr 0.38075882131386 0.38419588062101 0.86419678918453 140.908 64 Pr 0.61924117868614 0.88419588062101 0.63580321081547 140.908-------------------------------- supercell ---------------------------------Lattice vectors: a 20.234584980058031 0.000000000000000 0.000000000000000 b 0.000000000000000 18.852822440000001 0.000000000000000 c -6.691178546250439 0.000000000000000 9.910089984795553Atomic positions (fractional): 1 C 0.28151663833497 0.61599842760223 0.31416113284582 12.011 > 1 2 C 0.78151663833497 0.61599842760223 0.31416113284582 12.011 > 1 3 C 0.21848336166503 0.11599842760223 0.18583886715418 12.011 > 3 4 C 0.71848336166503 0.11599842760223 0.18583886715418 12.011 > 3 5 C 0.21848336166503 0.38400157239777 0.68583886715418 12.011 > 5 6 C 0.71848336166503 0.38400157239777 0.68583886715418 12.011 > 5 7 C 0.28151663833497 0.88400157239777 0.81416113284582 12.011 > 7 8 C 0.78151663833497 0.88400157239777 0.81416113284582 12.011 > 7 9 C 0.33483573310759 0.67468557637400 0.34708865190199 12.011 > 9 10 C 0.83483573310759 0.67468557637400 0.34708865190199 12.011 > 9 11 C 0.16516426689241 0.17468557637400 0.15291134809801 12.011 > 11 12 C 0.66516426689241 0.17468557637400 0.15291134809801 12.011 > 11 13 C 0.16516426689241 0.32531442362600 0.65291134809801 12.011 > 13 14 C 0.66516426689241 0.32531442362600 0.65291134809801 12.011 > 13 15 C 0.33483573310759 0.82531442362600 0.84708865190199 12.011 > 15 16 C 0.83483573310759 0.82531442362600 0.84708865190199 12.011 > 15 17 Br 0.45192236624738 0.53177735696884 0.33305548708347 79.904 > 17 18 Br 0.95192236624738 0.53177735696884 0.33305548708347 79.904 > 17 19 Br 0.04807763375262 0.03177735696884 0.16694451291653 79.904 > 19 20 Br 0.54807763375262 0.03177735696884 0.16694451291653 79.904 > 19 21 Br 0.04807763375262 0.46822264303116 0.66694451291653 79.904 > 21 22 Br 0.54807763375262 0.46822264303116 0.66694451291653 79.904 > 21 23 Br 0.45192236624738 0.96822264303116 0.83305548708347 79.904 > 23 24 Br 0.95192236624738 0.96822264303116 0.83305548708347 79.904 > 23 25 Br 0.16233167361836 0.97209298968078 0.49079103912913 79.904 > 25 26 Br 0.66233167361836 0.97209298968078 0.49079103912913 79.904 > 25 27 Br 0.33766832638164 0.47209298968078 0.00920896087087 79.904 > 27 28 Br 0.83766832638164 0.47209298968078 0.00920896087087 79.904 > 27 29 Br 0.33766832638164 0.02790701031922 0.50920896087087 79.904 > 29 30 Br 0.83766832638164 0.02790701031922 0.50920896087087 79.904 > 29 31 Br 0.16233167361836 0.52790701031922 0.99079103912913 79.904 > 31 32 Br 0.66233167361836 0.52790701031922 0.99079103912913 79.904 > 31 33 Br 0.32719523249859 0.44775200813706 0.50246558414761 79.904 > 33 34 Br 0.82719523249859 0.44775200813706 0.50246558414761 79.904 > 33 35 Br 0.17280476750141 0.94775200813706 0.99753441585239 79.904 > 35 36 Br 0.67280476750141 0.94775200813706 0.99753441585239 79.904 > 35 37 Br 0.17280476750141 0.55224799186294 0.49753441585239 79.904 > 37 38 Br 0.67280476750141 0.55224799186294 0.49753441585239 79.904 > 37 39 Br 0.32719523249859 0.05224799186294 0.00246558414761 79.904 > 39 40 Br 0.82719523249859 0.05224799186294 0.00246558414761 79.904 > 39 41 Br 0.06514144224889 0.62616686513696 0.15147142328674 79.904 > 41 42 Br 0.56514144224889 0.62616686513696 0.15147142328674 79.904 > 41 43 Br 0.43485855775111 0.12616686513696 0.34852857671326 79.904 > 43 44 Br 0.93485855775111 0.12616686513696 0.34852857671326 79.904 > 43 45 Br 0.43485855775111 0.37383313486304 0.84852857671326 79.904 > 45 46 Br 0.93485855775111 0.37383313486304 0.84852857671326 79.904 > 45 47 Br 0.06514144224889 0.87383313486304 0.65147142328674 79.904 > 47 48 Br 0.56514144224889 0.87383313486304 0.65147142328674 79.904 > 47 49 Br 0.43553645735108 0.58772306001352 0.78698655184845 79.904 > 49 50 Br 0.93553645735108 0.58772306001352 0.78698655184845 79.904 > 49 51 Br 0.06446354264892 0.08772306001352 0.71301344815155 79.904 > 51 52 Br 0.56446354264892 0.08772306001352 0.71301344815155 79.904 > 51 53 Br 0.06446354264892 0.41227693998648 0.21301344815155 79.904 > 53 54 Br 0.56446354264892 0.41227693998648 0.21301344815155 79.904 > 53 55 Br 0.43553645735108 0.91227693998648 0.28698655184845 79.904 > 55 56 Br 0.93553645735108 0.91227693998648 0.28698655184845 79.904 > 55 57 Br 0.28329785754738 0.86390423227051 0.34574829077816 79.904 > 57 58 Br 0.78329785754738 0.86390423227051 0.34574829077816 79.904 > 57 59 Br 0.21670214245262 0.36390423227051 0.15425170922184 79.904 > 59 60 Br 0.71670214245262 0.36390423227051 0.15425170922184 79.904 > 59 61 Br 0.21670214245262 0.13609576772949 0.65425170922184 79.904 > 61 62 Br 0.71670214245262 0.13609576772949 0.65425170922184 79.904 > 61 63 Br 0.28329785754738 0.63609576772949 0.84574829077816 79.904 > 63 64 Br 0.78329785754738 0.63609576772949 0.84574829077816 79.904 > 63 65 Br 0.05344703205941 0.82398398633763 0.09831741643031 79.904 > 65 66 Br 0.55344703205941 0.82398398633763 0.09831741643031 79.904 > 65 67 Br 0.44655296794059 0.32398398633763 0.40168258356969 79.904 > 67 68 Br 0.94655296794059 0.32398398633763 0.40168258356969 79.904 > 67 69 Br 0.44655296794059 0.17601601366237 0.90168258356969 79.904 > 69 70 Br 0.94655296794059 0.17601601366237 0.90168258356969 79.904 > 69 71 Br 0.05344703205941 0.67601601366237 0.59831741643031 79.904 > 71 72 Br 0.55344703205941 0.67601601366237 0.59831741643031 79.904 > 71 73 Br 0.42418155987542 0.77173723033202 0.67390199405644 79.904 > 73 74 Br 0.92418155987542 0.77173723033202 0.67390199405644 79.904 > 73 75 Br 0.07581844012458 0.27173723033202 0.82609800594356 79.904 > 75 76 Br 0.57581844012458 0.27173723033202 0.82609800594356 79.904 > 75 77 Br 0.07581844012458 0.22826276966798 0.32609800594356 79.904 > 77 78 Br 0.57581844012458 0.22826276966798 0.32609800594356 79.904 > 77 79 Br 0.42418155987542 0.72826276966798 0.17390199405644 79.904 > 79 80 Br 0.92418155987542 0.72826276966798 0.17390199405644 79.904 > 79 81 Br 0.18783406806049 0.76502803924728 0.50335500972547 79.904 > 81 82 Br 0.68783406806049 0.76502803924728 0.50335500972547 79.904 > 81 83 Br 0.31216593193951 0.26502803924728 0.99664499027453 79.904 > 83 84 Br 0.81216593193951 0.26502803924728 0.99664499027453 79.904 > 83 85 Br 0.31216593193951 0.23497196075272 0.49664499027453 79.904 > 85 86 Br 0.81216593193951 0.23497196075272 0.49664499027453 79.904 > 85 87 Br 0.18783406806049 0.73497196075272 0.00335500972547 79.904 > 87 88 Br 0.68783406806049 0.73497196075272 0.00335500972547 79.904 > 87 89 Pr 0.41188318603872 0.58272029601296 0.52044087131455 140.908 > 89 90 Pr 0.91188318603872 0.58272029601296 0.52044087131455 140.908 > 89 91 Pr 0.08811681396128 0.08272029601296 0.97955912868545 140.908 > 91 92 Pr 0.58811681396128 0.08272029601296 0.97955912868545 140.908 > 91 93 Pr 0.08811681396128 0.41727970398704 0.47955912868544 140.908 > 93 94 Pr 0.58811681396128 0.41727970398704 0.47955912868544 140.908 > 93 95 Pr 0.41188318603872 0.91727970398704 0.02044087131455 140.908 > 95 96 Pr 0.91188318603872 0.91727970398704 0.02044087131455 140.908 > 95 97 Pr 0.42134532584722 0.76959232699572 0.40865314162505 140.908 > 97 98 Pr 0.92134532584722 0.76959232699572 0.40865314162505 140.908 > 97 99 Pr 0.07865467415278 0.26959232699572 0.09134685837496 140.908 > 99 100 Pr 0.57865467415278 0.26959232699572 0.09134685837496 140.908 > 99 101 Pr 0.07865467415278 0.23040767300428 0.59134685837496 140.908 > 101 102 Pr 0.57865467415278 0.23040767300428 0.59134685837496 140.908 > 101 103 Pr 0.42134532584722 0.73040767300428 0.90865314162504 140.908 > 103 104 Pr 0.92134532584722 0.73040767300428 0.90865314162504 140.908 > 103 105 Pr 0.20188125140529 0.72352148716713 0.27036120295940 140.908 > 105 106 Pr 0.70188125140529 0.72352148716713 0.27036120295940 140.908 > 105 107 Pr 0.29811874859471 0.22352148716713 0.22963879704060 140.908 > 107 108 Pr 0.79811874859471 0.22352148716713 0.22963879704060 140.908 > 107 109 Pr 0.29811874859471 0.27647851283287 0.72963879704060 140.908 > 109 110 Pr 0.79811874859471 0.27647851283287 0.72963879704060 140.908 > 109 111 Pr 0.20188125140529 0.77647851283287 0.77036120295940 140.908 > 111 112 Pr 0.70188125140529 0.77647851283287 0.77036120295940 140.908 > 111 113 Pr 0.19420892302172 0.52142689626191 0.26188474466507 140.908 > 113 114 Pr 0.69420892302172 0.52142689626191 0.26188474466507 140.908 > 113 115 Pr 0.30579107697828 0.02142689626191 0.23811525533493 140.908 > 115 116 Pr 0.80579107697828 0.02142689626191 0.23811525533493 140.908 > 115 117 Pr 0.30579107697828 0.47857310373809 0.73811525533493 140.908 > 117 118 Pr 0.80579107697828 0.47857310373809 0.73811525533493 140.908 > 117 119 Pr 0.19420892302172 0.97857310373809 0.76188474466507 140.908 > 119 120 Pr 0.69420892302172 0.97857310373809 0.76188474466507 140.908 > 119 121 Pr 0.30962058934307 0.61580411937899 0.13580321081547 140.908 > 121 122 Pr 0.80962058934307 0.61580411937899 0.13580321081547 140.908 > 121 123 Pr 0.19037941065693 0.11580411937899 0.36419678918453 140.908 > 123 124 Pr 0.69037941065693 0.11580411937899 0.36419678918453 140.908 > 123 125 Pr 0.19037941065693 0.38419588062101 0.86419678918453 140.908 > 125 126 Pr 0.69037941065693 0.38419588062101 0.86419678918453 140.908 > 125 127 Pr 0.30962058934307 0.88419588062101 0.63580321081547 140.908 > 127 128 Pr 0.80962058934307 0.88419588062101 0.63580321081547 140.908 > 127----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.0996805 0.0000000 0.0330457 0.0000000 5.6330854 0.0000000 0.0330362 0.0000000 4.9927732-------------------------- Born effective charges -------------------------- 1 C -2.0122184 -0.1120531 -0.0022396 -0.3802716 -2.2668981 0.3261136 -0.1751191 0.1419056 -1.5777599 2 C -2.0122184 0.1120531 -0.0022396 0.3802716 -2.2668981 -0.3261136 -0.1751191 -0.1419056 -1.5777599 3 C -2.0122184 -0.1120531 -0.0022396 -0.3802716 -2.2668981 0.3261136 -0.1751191 0.1419056 -1.5777599 4 C -2.0122184 0.1120531 -0.0022396 0.3802716 -2.2668981 -0.3261136 -0.1751191 -0.1419056 -1.5777599 5 C -2.1139553 -0.2254320 -0.3137580 -0.2436015 -2.6976953 -0.4458729 -0.2803003 -0.1043901 -2.0278752 6 C -2.1139553 0.2254320 -0.3137580 0.2436015 -2.6976953 0.4458729 -0.2803003 0.1043901 -2.0278752 7 C -2.1139553 -0.2254320 -0.3137580 -0.2436015 -2.6976953 -0.4458729 -0.2803003 -0.1043901 -2.0278752 8 C -2.1139553 0.2254320 -0.3137580 0.2436015 -2.6976953 0.4458729 -0.2803003 0.1043901 -2.0278752 9 Br -1.4322672 0.9005734 -0.2715803 0.9716684 -1.2796037 0.3925486 -0.2700275 0.4895872 -1.3837052 10 Br -1.4322672 -0.9005734 -0.2715803 -0.9716684 -1.2796037 -0.3925486 -0.2700275 -0.4895872 -1.3837052 11 Br -1.4322672 0.9005734 -0.2715803 0.9716684 -1.2796037 0.3925486 -0.2700275 0.4895872 -1.3837052 12 Br -1.4322672 -0.9005734 -0.2715803 -0.9716684 -1.2796037 -0.3925486 -0.2700275 -0.4895872 -1.3837052 13 Br -0.7953047 0.0414791 0.2074415 0.0129831 -1.4083596 0.4951111 0.3567745 0.6356970 -1.4602959 14 Br -0.7953047 -0.0414791 0.2074415 -0.0129831 -1.4083596 -0.4951111 0.3567745 -0.6356970 -1.4602959 15 Br -0.7953047 0.0414791 0.2074415 0.0129831 -1.4083596 0.4951111 0.3567745 0.6356970 -1.4602959 16 Br -0.7953047 -0.0414791 0.2074415 -0.0129831 -1.4083596 -0.4951111 0.3567745 -0.6356970 -1.4602959 17 Br -1.0300568 -0.2590135 0.4005587 -0.3982830 -1.1598593 0.5684180 0.2922642 0.2729762 -1.3178231 18 Br -1.0300568 0.2590135 0.4005587 0.3982830 -1.1598593 -0.5684180 0.2922642 -0.2729762 -1.3178231 19 Br -1.0300568 -0.2590135 0.4005587 -0.3982830 -1.1598593 0.5684180 0.2922642 0.2729762 -1.3178231 20 Br -1.0300568 0.2590135 0.4005587 0.3982830 -1.1598593 -0.5684180 0.2922642 -0.2729762 -1.3178231 21 Br -1.4720173 0.3219544 -0.8160188 0.2442661 -1.2295598 0.4464350 -0.7154056 0.3814733 -1.1918964 22 Br -1.4720173 -0.3219544 -0.8160188 -0.2442661 -1.2295598 -0.4464350 -0.7154056 -0.3814733 -1.1918964 23 Br -1.4720173 0.3219544 -0.8160188 0.2442661 -1.2295598 0.4464350 -0.7154056 0.3814733 -1.1918964 24 Br -1.4720173 -0.3219544 -0.8160188 -0.2442661 -1.2295598 -0.4464350 -0.7154056 -0.3814733 -1.1918964 25 Br -1.1991803 -0.0566066 0.5251910 -0.2202388 -1.7499996 -0.4984617 0.5383440 -0.3337912 -1.3752643 26 Br -1.1991803 0.0566066 0.5251910 0.2202388 -1.7499996 0.4984617 0.5383440 0.3337912 -1.3752643 27 Br -1.1991803 -0.0566066 0.5251910 -0.2202388 -1.7499996 -0.4984617 0.5383440 -0.3337912 -1.3752643 28 Br -1.1991803 0.0566066 0.5251910 0.2202388 -1.7499996 0.4984617 0.5383440 0.3337912 -1.3752643 29 Br -0.9130720 0.0456139 0.3511041 -0.0203971 -1.7591321 -0.0504986 0.2724025 0.0522175 -1.0029877 30 Br -0.9130720 -0.0456139 0.3511041 0.0203971 -1.7591321 0.0504986 0.2724025 -0.0522175 -1.0029877 31 Br -0.9130720 0.0456139 0.3511041 -0.0203971 -1.7591321 -0.0504986 0.2724025 0.0522175 -1.0029877 32 Br -0.9130720 -0.0456139 0.3511041 0.0203971 -1.7591321 0.0504986 0.2724025 -0.0522175 -1.0029877 33 Br -1.7061401 0.4519952 -0.8917024 0.4625430 -1.1174791 0.2196774 -0.6880064 0.2461786 -1.1294922 34 Br -1.7061401 -0.4519952 -0.8917024 -0.4625430 -1.1174791 -0.2196774 -0.6880064 -0.2461786 -1.1294922 35 Br -1.7061401 0.4519952 -0.8917024 0.4625430 -1.1174791 0.2196774 -0.6880064 0.2461786 -1.1294922 36 Br -1.7061401 -0.4519952 -0.8917024 -0.4625430 -1.1174791 -0.2196774 -0.6880064 -0.2461786 -1.1294922 37 Br -1.3706376 0.1566856 0.8383612 0.4773634 -0.9743059 -0.2562113 0.7473543 0.0144254 -1.5783771 38 Br -1.3706376 -0.1566856 0.8383612 -0.4773634 -0.9743059 0.2562113 0.7473543 -0.0144254 -1.5783771 39 Br -1.3706376 0.1566856 0.8383612 0.4773634 -0.9743059 -0.2562113 0.7473543 0.0144254 -1.5783771 40 Br -1.3706376 -0.1566856 0.8383612 -0.4773634 -0.9743059 0.2562113 0.7473543 -0.0144254 -1.5783771 41 Br -1.1992483 -0.0126117 0.7153927 -0.0025992 -0.9365097 -0.6523939 0.6320653 -0.5528297 -1.8047778 42 Br -1.1992483 0.0126117 0.7153927 0.0025992 -0.9365097 0.6523939 0.6320653 0.5528297 -1.8047778 43 Br -1.1992483 -0.0126117 0.7153927 -0.0025992 -0.9365097 -0.6523939 0.6320653 -0.5528297 -1.8047778 44 Br -1.1992483 0.0126117 0.7153927 0.0025992 -0.9365097 0.6523939 0.6320653 0.5528297 -1.8047778 45 Pr 2.8966698 -0.4361782 -0.0813589 -0.3707298 2.9351815 -0.6850939 0.1403226 -0.7421412 3.4628779 46 Pr 2.8966698 0.4361782 -0.0813589 0.3707298 2.9351815 0.6850939 0.1403226 0.7421412 3.4628779 47 Pr 2.8966698 -0.4361782 -0.0813589 -0.3707298 2.9351815 -0.6850939 0.1403226 -0.7421412 3.4628779 48 Pr 2.8966698 0.4361782 -0.0813589 0.3707298 2.9351815 0.6850939 0.1403226 0.7421412 3.4628779 49 Pr 3.4494028 0.9748398 0.1721328 1.0888012 3.8584433 0.5367674 -0.1319759 0.5148141 3.3123219 50 Pr 3.4494028 -0.9748398 0.1721328 -1.0888012 3.8584433 -0.5367674 -0.1319759 -0.5148141 3.3123219 51 Pr 3.4494028 0.9748398 0.1721328 1.0888012 3.8584433 0.5367674 -0.1319759 0.5148141 3.3123219 52 Pr 3.4494028 -0.9748398 0.1721328 -1.0888012 3.8584433 -0.5367674 -0.1319759 -0.5148141 3.3123219 53 Pr 3.5819237 -1.1439904 -0.0323329 -1.0671505 2.7475092 -0.0753857 0.0046711 0.0117580 2.8594044 54 Pr 3.5819237 1.1439904 -0.0323329 1.0671505 2.7475092 0.0753857 0.0046711 -0.0117580 2.8594044 55 Pr 3.5819237 -1.1439904 -0.0323329 -1.0671505 2.7475092 -0.0753857 0.0046711 0.0117580 2.8594044 56 Pr 3.5819237 1.1439904 -0.0323329 1.0671505 2.7475092 0.0753857 0.0046711 -0.0117580 2.8594044 57 Pr 2.8633178 0.8357085 -0.2494415 1.1533286 4.2019761 0.0845732 -0.1368694 -0.0131425 2.8310928 58 Pr 2.8633178 -0.8357085 -0.2494415 -1.1533286 4.2019761 -0.0845732 -0.1368694 0.0131425 2.8310928 59 Pr 2.8633178 0.8357085 -0.2494415 1.1533286 4.2019761 0.0845732 -0.1368694 -0.0131425 2.8310928 60 Pr 2.8633178 -0.8357085 -0.2494415 -1.1533286 4.2019761 -0.0845732 -0.1368694 0.0131425 2.8310928 61 Pr 2.4527839 -0.5275596 -0.5517495 -0.4069127 2.8362922 -0.0241441 -0.5864942 0.2100995 3.3845577 62 Pr 2.4527839 0.5275596 -0.5517495 0.4069127 2.8362922 0.0241441 -0.5864942 -0.2100995 3.3845577 63 Pr 2.4527839 -0.5275596 -0.5517495 -0.4069127 2.8362922 -0.0241441 -0.5864942 0.2100995 3.3845577 64 Pr 2.4527839 0.5275596 -0.5517495 0.4069127 2.8362922 0.0241441 -0.5864942 -0.2100995 3.3845577----------------------------------------------------------------------------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[ 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[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 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[ 41, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 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[ 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[ 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]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083]Computing fc3[ 81, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083]Computing fc3[ 89, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083]Computing fc3[ 105, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083]Computing fc3[ 113, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083]Computing fc3[ 121, 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 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 08:10:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 08:10:27]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 1 1]Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 10.117292490029016 0.000000000000000 0.000000000000000 b 0.000000000000000 18.852822440000001 0.000000000000000 c -6.691178546250439 0.000000000000000 9.910089984795553Atomic positions (fractional): 1 C 0.56303327666994 0.61599842760223 0.31416113284582 12.011 2 C 0.43696672333006 0.11599842760223 0.18583886715418 12.011 3 C 0.43696672333006 0.38400157239777 0.68583886715418 12.011 4 C 0.56303327666994 0.88400157239777 0.81416113284582 12.011 5 C 0.66967146621518 0.67468557637400 0.34708865190199 12.011 6 C 0.33032853378482 0.17468557637400 0.15291134809801 12.011 7 C 0.33032853378482 0.32531442362600 0.65291134809801 12.011 8 C 0.66967146621518 0.82531442362600 0.84708865190199 12.011 9 Br 0.90384473249476 0.53177735696884 0.33305548708347 79.904 10 Br 0.09615526750524 0.03177735696884 0.16694451291653 79.904 11 Br 0.09615526750524 0.46822264303116 0.66694451291653 79.904 12 Br 0.90384473249476 0.96822264303116 0.83305548708347 79.904 13 Br 0.32466334723673 0.97209298968078 0.49079103912913 79.904 14 Br 0.67533665276327 0.47209298968078 0.00920896087087 79.904 15 Br 0.67533665276327 0.02790701031922 0.50920896087087 79.904 16 Br 0.32466334723673 0.52790701031922 0.99079103912913 79.904 17 Br 0.65439046499719 0.44775200813706 0.50246558414761 79.904 18 Br 0.34560953500281 0.94775200813706 0.99753441585239 79.904 19 Br 0.34560953500281 0.55224799186294 0.49753441585239 79.904 20 Br 0.65439046499719 0.05224799186294 0.00246558414761 79.904 21 Br 0.13028288449779 0.62616686513696 0.15147142328674 79.904 22 Br 0.86971711550221 0.12616686513696 0.34852857671326 79.904 23 Br 0.86971711550221 0.37383313486304 0.84852857671326 79.904 24 Br 0.13028288449779 0.87383313486304 0.65147142328674 79.904 25 Br 0.87107291470216 0.58772306001352 0.78698655184845 79.904 26 Br 0.12892708529784 0.08772306001352 0.71301344815155 79.904 27 Br 0.12892708529784 0.41227693998648 0.21301344815155 79.904 28 Br 0.87107291470216 0.91227693998648 0.28698655184845 79.904 29 Br 0.56659571509477 0.86390423227051 0.34574829077816 79.904 30 Br 0.43340428490523 0.36390423227051 0.15425170922184 79.904 31 Br 0.43340428490523 0.13609576772949 0.65425170922184 79.904 32 Br 0.56659571509477 0.63609576772949 0.84574829077816 79.904 33 Br 0.10689406411882 0.82398398633763 0.09831741643031 79.904 34 Br 0.89310593588118 0.32398398633763 0.40168258356969 79.904 35 Br 0.89310593588118 0.17601601366237 0.90168258356969 79.904 36 Br 0.10689406411882 0.67601601366237 0.59831741643031 79.904 37 Br 0.84836311975083 0.77173723033202 0.67390199405644 79.904 38 Br 0.15163688024917 0.27173723033202 0.82609800594356 79.904 39 Br 0.15163688024917 0.22826276966798 0.32609800594356 79.904 40 Br 0.84836311975083 0.72826276966798 0.17390199405644 79.904 41 Br 0.37566813612098 0.76502803924728 0.50335500972547 79.904 42 Br 0.62433186387902 0.26502803924728 0.99664499027453 79.904 43 Br 0.62433186387902 0.23497196075272 0.49664499027453 79.904 44 Br 0.37566813612098 0.73497196075272 0.00335500972547 79.904 45 Pr 0.82376637207743 0.58272029601296 0.52044087131455 140.908 46 Pr 0.17623362792257 0.08272029601296 0.97955912868545 140.908 47 Pr 0.17623362792257 0.41727970398704 0.47955912868544 140.908 48 Pr 0.82376637207743 0.91727970398704 0.02044087131455 140.908 49 Pr 0.84269065169444 0.76959232699572 0.40865314162505 140.908 50 Pr 0.15730934830556 0.26959232699572 0.09134685837496 140.908 51 Pr 0.15730934830556 0.23040767300428 0.59134685837496 140.908 52 Pr 0.84269065169444 0.73040767300428 0.90865314162504 140.908 53 Pr 0.40376250281058 0.72352148716713 0.27036120295940 140.908 54 Pr 0.59623749718942 0.22352148716713 0.22963879704060 140.908 55 Pr 0.59623749718942 0.27647851283287 0.72963879704060 140.908 56 Pr 0.40376250281058 0.77647851283287 0.77036120295940 140.908 57 Pr 0.38841784604345 0.52142689626191 0.26188474466507 140.908 58 Pr 0.61158215395655 0.02142689626191 0.23811525533493 140.908 59 Pr 0.61158215395655 0.47857310373809 0.73811525533493 140.908 60 Pr 0.38841784604345 0.97857310373809 0.76188474466507 140.908 61 Pr 0.61924117868614 0.61580411937899 0.13580321081547 140.908 62 Pr 0.38075882131386 0.11580411937899 0.36419678918453 140.908 63 Pr 0.38075882131386 0.38419588062101 0.86419678918453 140.908 64 Pr 0.61924117868614 0.88419588062101 0.63580321081547 140.908-------------------------------- supercell ---------------------------------Lattice vectors: a 20.234584980058031 0.000000000000000 0.000000000000000 b 0.000000000000000 18.852822440000001 0.000000000000000 c -6.691178546250439 0.000000000000000 9.910089984795553Atomic positions (fractional): 1 C 0.28151663833497 0.61599842760223 0.31416113284582 12.011 > 1 2 C 0.78151663833497 0.61599842760223 0.31416113284582 12.011 > 1 3 C 0.21848336166503 0.11599842760223 0.18583886715418 12.011 > 3 4 C 0.71848336166503 0.11599842760223 0.18583886715418 12.011 > 3 5 C 0.21848336166503 0.38400157239777 0.68583886715418 12.011 > 5 6 C 0.71848336166503 0.38400157239777 0.68583886715418 12.011 > 5 7 C 0.28151663833497 0.88400157239777 0.81416113284582 12.011 > 7 8 C 0.78151663833497 0.88400157239777 0.81416113284582 12.011 > 7 9 C 0.33483573310759 0.67468557637400 0.34708865190199 12.011 > 9 10 C 0.83483573310759 0.67468557637400 0.34708865190199 12.011 > 9 11 C 0.16516426689241 0.17468557637400 0.15291134809801 12.011 > 11 12 C 0.66516426689241 0.17468557637400 0.15291134809801 12.011 > 11 13 C 0.16516426689241 0.32531442362600 0.65291134809801 12.011 > 13 14 C 0.66516426689241 0.32531442362600 0.65291134809801 12.011 > 13 15 C 0.33483573310759 0.82531442362600 0.84708865190199 12.011 > 15 16 C 0.83483573310759 0.82531442362600 0.84708865190199 12.011 > 15 17 Br 0.45192236624738 0.53177735696884 0.33305548708347 79.904 > 17 18 Br 0.95192236624738 0.53177735696884 0.33305548708347 79.904 > 17 19 Br 0.04807763375262 0.03177735696884 0.16694451291653 79.904 > 19 20 Br 0.54807763375262 0.03177735696884 0.16694451291653 79.904 > 19 21 Br 0.04807763375262 0.46822264303116 0.66694451291653 79.904 > 21 22 Br 0.54807763375262 0.46822264303116 0.66694451291653 79.904 > 21 23 Br 0.45192236624738 0.96822264303116 0.83305548708347 79.904 > 23 24 Br 0.95192236624738 0.96822264303116 0.83305548708347 79.904 > 23 25 Br 0.16233167361836 0.97209298968078 0.49079103912913 79.904 > 25 26 Br 0.66233167361836 0.97209298968078 0.49079103912913 79.904 > 25 27 Br 0.33766832638164 0.47209298968078 0.00920896087087 79.904 > 27 28 Br 0.83766832638164 0.47209298968078 0.00920896087087 79.904 > 27 29 Br 0.33766832638164 0.02790701031922 0.50920896087087 79.904 > 29 30 Br 0.83766832638164 0.02790701031922 0.50920896087087 79.904 > 29 31 Br 0.16233167361836 0.52790701031922 0.99079103912913 79.904 > 31 32 Br 0.66233167361836 0.52790701031922 0.99079103912913 79.904 > 31 33 Br 0.32719523249859 0.44775200813706 0.50246558414761 79.904 > 33 34 Br 0.82719523249859 0.44775200813706 0.50246558414761 79.904 > 33 35 Br 0.17280476750141 0.94775200813706 0.99753441585239 79.904 > 35 36 Br 0.67280476750141 0.94775200813706 0.99753441585239 79.904 > 35 37 Br 0.17280476750141 0.55224799186294 0.49753441585239 79.904 > 37 38 Br 0.67280476750141 0.55224799186294 0.49753441585239 79.904 > 37 39 Br 0.32719523249859 0.05224799186294 0.00246558414761 79.904 > 39 40 Br 0.82719523249859 0.05224799186294 0.00246558414761 79.904 > 39 41 Br 0.06514144224889 0.62616686513696 0.15147142328674 79.904 > 41 42 Br 0.56514144224889 0.62616686513696 0.15147142328674 79.904 > 41 43 Br 0.43485855775111 0.12616686513696 0.34852857671326 79.904 > 43 44 Br 0.93485855775111 0.12616686513696 0.34852857671326 79.904 > 43 45 Br 0.43485855775111 0.37383313486304 0.84852857671326 79.904 > 45 46 Br 0.93485855775111 0.37383313486304 0.84852857671326 79.904 > 45 47 Br 0.06514144224889 0.87383313486304 0.65147142328674 79.904 > 47 48 Br 0.56514144224889 0.87383313486304 0.65147142328674 79.904 > 47 49 Br 0.43553645735108 0.58772306001352 0.78698655184845 79.904 > 49 50 Br 0.93553645735108 0.58772306001352 0.78698655184845 79.904 > 49 51 Br 0.06446354264892 0.08772306001352 0.71301344815155 79.904 > 51 52 Br 0.56446354264892 0.08772306001352 0.71301344815155 79.904 > 51 53 Br 0.06446354264892 0.41227693998648 0.21301344815155 79.904 > 53 54 Br 0.56446354264892 0.41227693998648 0.21301344815155 79.904 > 53 55 Br 0.43553645735108 0.91227693998648 0.28698655184845 79.904 > 55 56 Br 0.93553645735108 0.91227693998648 0.28698655184845 79.904 > 55 57 Br 0.28329785754738 0.86390423227051 0.34574829077816 79.904 > 57 58 Br 0.78329785754738 0.86390423227051 0.34574829077816 79.904 > 57 59 Br 0.21670214245262 0.36390423227051 0.15425170922184 79.904 > 59 60 Br 0.71670214245262 0.36390423227051 0.15425170922184 79.904 > 59 61 Br 0.21670214245262 0.13609576772949 0.65425170922184 79.904 > 61 62 Br 0.71670214245262 0.13609576772949 0.65425170922184 79.904 > 61 63 Br 0.28329785754738 0.63609576772949 0.84574829077816 79.904 > 63 64 Br 0.78329785754738 0.63609576772949 0.84574829077816 79.904 > 63 65 Br 0.05344703205941 0.82398398633763 0.09831741643031 79.904 > 65 66 Br 0.55344703205941 0.82398398633763 0.09831741643031 79.904 > 65 67 Br 0.44655296794059 0.32398398633763 0.40168258356969 79.904 > 67 68 Br 0.94655296794059 0.32398398633763 0.40168258356969 79.904 > 67 69 Br 0.44655296794059 0.17601601366237 0.90168258356969 79.904 > 69 70 Br 0.94655296794059 0.17601601366237 0.90168258356969 79.904 > 69 71 Br 0.05344703205941 0.67601601366237 0.59831741643031 79.904 > 71 72 Br 0.55344703205941 0.67601601366237 0.59831741643031 79.904 > 71 73 Br 0.42418155987542 0.77173723033202 0.67390199405644 79.904 > 73 74 Br 0.92418155987542 0.77173723033202 0.67390199405644 79.904 > 73 75 Br 0.07581844012458 0.27173723033202 0.82609800594356 79.904 > 75 76 Br 0.57581844012458 0.27173723033202 0.82609800594356 79.904 > 75 77 Br 0.07581844012458 0.22826276966798 0.32609800594356 79.904 > 77 78 Br 0.57581844012458 0.22826276966798 0.32609800594356 79.904 > 77 79 Br 0.42418155987542 0.72826276966798 0.17390199405644 79.904 > 79 80 Br 0.92418155987542 0.72826276966798 0.17390199405644 79.904 > 79 81 Br 0.18783406806049 0.76502803924728 0.50335500972547 79.904 > 81 82 Br 0.68783406806049 0.76502803924728 0.50335500972547 79.904 > 81 83 Br 0.31216593193951 0.26502803924728 0.99664499027453 79.904 > 83 84 Br 0.81216593193951 0.26502803924728 0.99664499027453 79.904 > 83 85 Br 0.31216593193951 0.23497196075272 0.49664499027453 79.904 > 85 86 Br 0.81216593193951 0.23497196075272 0.49664499027453 79.904 > 85 87 Br 0.18783406806049 0.73497196075272 0.00335500972547 79.904 > 87 88 Br 0.68783406806049 0.73497196075272 0.00335500972547 79.904 > 87 89 Pr 0.41188318603872 0.58272029601296 0.52044087131455 140.908 > 89 90 Pr 0.91188318603872 0.58272029601296 0.52044087131455 140.908 > 89 91 Pr 0.08811681396128 0.08272029601296 0.97955912868545 140.908 > 91 92 Pr 0.58811681396128 0.08272029601296 0.97955912868545 140.908 > 91 93 Pr 0.08811681396128 0.41727970398704 0.47955912868544 140.908 > 93 94 Pr 0.58811681396128 0.41727970398704 0.47955912868544 140.908 > 93 95 Pr 0.41188318603872 0.91727970398704 0.02044087131455 140.908 > 95 96 Pr 0.91188318603872 0.91727970398704 0.02044087131455 140.908 > 95 97 Pr 0.42134532584722 0.76959232699572 0.40865314162505 140.908 > 97 98 Pr 0.92134532584722 0.76959232699572 0.40865314162505 140.908 > 97 99 Pr 0.07865467415278 0.26959232699572 0.09134685837496 140.908 > 99 100 Pr 0.57865467415278 0.26959232699572 0.09134685837496 140.908 > 99 101 Pr 0.07865467415278 0.23040767300428 0.59134685837496 140.908 > 101 102 Pr 0.57865467415278 0.23040767300428 0.59134685837496 140.908 > 101 103 Pr 0.42134532584722 0.73040767300428 0.90865314162504 140.908 > 103 104 Pr 0.92134532584722 0.73040767300428 0.90865314162504 140.908 > 103 105 Pr 0.20188125140529 0.72352148716713 0.27036120295940 140.908 > 105 106 Pr 0.70188125140529 0.72352148716713 0.27036120295940 140.908 > 105 107 Pr 0.29811874859471 0.22352148716713 0.22963879704060 140.908 > 107 108 Pr 0.79811874859471 0.22352148716713 0.22963879704060 140.908 > 107 109 Pr 0.29811874859471 0.27647851283287 0.72963879704060 140.908 > 109 110 Pr 0.79811874859471 0.27647851283287 0.72963879704060 140.908 > 109 111 Pr 0.20188125140529 0.77647851283287 0.77036120295940 140.908 > 111 112 Pr 0.70188125140529 0.77647851283287 0.77036120295940 140.908 > 111 113 Pr 0.19420892302172 0.52142689626191 0.26188474466507 140.908 > 113 114 Pr 0.69420892302172 0.52142689626191 0.26188474466507 140.908 > 113 115 Pr 0.30579107697828 0.02142689626191 0.23811525533493 140.908 > 115 116 Pr 0.80579107697828 0.02142689626191 0.23811525533493 140.908 > 115 117 Pr 0.30579107697828 0.47857310373809 0.73811525533493 140.908 > 117 118 Pr 0.80579107697828 0.47857310373809 0.73811525533493 140.908 > 117 119 Pr 0.19420892302172 0.97857310373809 0.76188474466507 140.908 > 119 120 Pr 0.69420892302172 0.97857310373809 0.76188474466507 140.908 > 119 121 Pr 0.30962058934307 0.61580411937899 0.13580321081547 140.908 > 121 122 Pr 0.80962058934307 0.61580411937899 0.13580321081547 140.908 > 121 123 Pr 0.19037941065693 0.11580411937899 0.36419678918453 140.908 > 123 124 Pr 0.69037941065693 0.11580411937899 0.36419678918453 140.908 > 123 125 Pr 0.19037941065693 0.38419588062101 0.86419678918453 140.908 > 125 126 Pr 0.69037941065693 0.38419588062101 0.86419678918453 140.908 > 125 127 Pr 0.30962058934307 0.88419588062101 0.63580321081547 140.908 > 127 128 Pr 0.80962058934307 0.88419588062101 0.63580321081547 140.908 > 127----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.0996805 0.0000000 0.0330457 0.0000000 5.6330854 0.0000000 0.0330362 0.0000000 4.9927732-------------------------- Born effective charges -------------------------- 1 C -2.0122184 -0.1120531 -0.0022396 -0.3802716 -2.2668981 0.3261136 -0.1751191 0.1419056 -1.5777599 2 C -2.0122184 0.1120531 -0.0022396 0.3802716 -2.2668981 -0.3261136 -0.1751191 -0.1419056 -1.5777599 3 C -2.0122184 -0.1120531 -0.0022396 -0.3802716 -2.2668981 0.3261136 -0.1751191 0.1419056 -1.5777599 4 C -2.0122184 0.1120531 -0.0022396 0.3802716 -2.2668981 -0.3261136 -0.1751191 -0.1419056 -1.5777599 5 C -2.1139553 -0.2254320 -0.3137580 -0.2436015 -2.6976953 -0.4458729 -0.2803003 -0.1043901 -2.0278752 6 C -2.1139553 0.2254320 -0.3137580 0.2436015 -2.6976953 0.4458729 -0.2803003 0.1043901 -2.0278752 7 C -2.1139553 -0.2254320 -0.3137580 -0.2436015 -2.6976953 -0.4458729 -0.2803003 -0.1043901 -2.0278752 8 C -2.1139553 0.2254320 -0.3137580 0.2436015 -2.6976953 0.4458729 -0.2803003 0.1043901 -2.0278752 9 Br -1.4322672 0.9005734 -0.2715803 0.9716684 -1.2796037 0.3925486 -0.2700275 0.4895872 -1.3837052 10 Br -1.4322672 -0.9005734 -0.2715803 -0.9716684 -1.2796037 -0.3925486 -0.2700275 -0.4895872 -1.3837052 11 Br -1.4322672 0.9005734 -0.2715803 0.9716684 -1.2796037 0.3925486 -0.2700275 0.4895872 -1.3837052 12 Br -1.4322672 -0.9005734 -0.2715803 -0.9716684 -1.2796037 -0.3925486 -0.2700275 -0.4895872 -1.3837052 13 Br -0.7953047 0.0414791 0.2074415 0.0129831 -1.4083596 0.4951111 0.3567745 0.6356970 -1.4602959 14 Br -0.7953047 -0.0414791 0.2074415 -0.0129831 -1.4083596 -0.4951111 0.3567745 -0.6356970 -1.4602959 15 Br -0.7953047 0.0414791 0.2074415 0.0129831 -1.4083596 0.4951111 0.3567745 0.6356970 -1.4602959 16 Br -0.7953047 -0.0414791 0.2074415 -0.0129831 -1.4083596 -0.4951111 0.3567745 -0.6356970 -1.4602959 17 Br -1.0300568 -0.2590135 0.4005587 -0.3982830 -1.1598593 0.5684180 0.2922642 0.2729762 -1.3178231 18 Br -1.0300568 0.2590135 0.4005587 0.3982830 -1.1598593 -0.5684180 0.2922642 -0.2729762 -1.3178231 19 Br -1.0300568 -0.2590135 0.4005587 -0.3982830 -1.1598593 0.5684180 0.2922642 0.2729762 -1.3178231 20 Br -1.0300568 0.2590135 0.4005587 0.3982830 -1.1598593 -0.5684180 0.2922642 -0.2729762 -1.3178231 21 Br -1.4720173 0.3219544 -0.8160188 0.2442661 -1.2295598 0.4464350 -0.7154056 0.3814733 -1.1918964 22 Br -1.4720173 -0.3219544 -0.8160188 -0.2442661 -1.2295598 -0.4464350 -0.7154056 -0.3814733 -1.1918964 23 Br -1.4720173 0.3219544 -0.8160188 0.2442661 -1.2295598 0.4464350 -0.7154056 0.3814733 -1.1918964 24 Br -1.4720173 -0.3219544 -0.8160188 -0.2442661 -1.2295598 -0.4464350 -0.7154056 -0.3814733 -1.1918964 25 Br -1.1991803 -0.0566066 0.5251910 -0.2202388 -1.7499996 -0.4984617 0.5383440 -0.3337912 -1.3752643 26 Br -1.1991803 0.0566066 0.5251910 0.2202388 -1.7499996 0.4984617 0.5383440 0.3337912 -1.3752643 27 Br -1.1991803 -0.0566066 0.5251910 -0.2202388 -1.7499996 -0.4984617 0.5383440 -0.3337912 -1.3752643 28 Br -1.1991803 0.0566066 0.5251910 0.2202388 -1.7499996 0.4984617 0.5383440 0.3337912 -1.3752643 29 Br -0.9130720 0.0456139 0.3511041 -0.0203971 -1.7591321 -0.0504986 0.2724025 0.0522175 -1.0029877 30 Br -0.9130720 -0.0456139 0.3511041 0.0203971 -1.7591321 0.0504986 0.2724025 -0.0522175 -1.0029877 31 Br -0.9130720 0.0456139 0.3511041 -0.0203971 -1.7591321 -0.0504986 0.2724025 0.0522175 -1.0029877 32 Br -0.9130720 -0.0456139 0.3511041 0.0203971 -1.7591321 0.0504986 0.2724025 -0.0522175 -1.0029877 33 Br -1.7061401 0.4519952 -0.8917024 0.4625430 -1.1174791 0.2196774 -0.6880064 0.2461786 -1.1294922 34 Br -1.7061401 -0.4519952 -0.8917024 -0.4625430 -1.1174791 -0.2196774 -0.6880064 -0.2461786 -1.1294922 35 Br -1.7061401 0.4519952 -0.8917024 0.4625430 -1.1174791 0.2196774 -0.6880064 0.2461786 -1.1294922 36 Br -1.7061401 -0.4519952 -0.8917024 -0.4625430 -1.1174791 -0.2196774 -0.6880064 -0.2461786 -1.1294922 37 Br -1.3706376 0.1566856 0.8383612 0.4773634 -0.9743059 -0.2562113 0.7473543 0.0144254 -1.5783771 38 Br -1.3706376 -0.1566856 0.8383612 -0.4773634 -0.9743059 0.2562113 0.7473543 -0.0144254 -1.5783771 39 Br -1.3706376 0.1566856 0.8383612 0.4773634 -0.9743059 -0.2562113 0.7473543 0.0144254 -1.5783771 40 Br -1.3706376 -0.1566856 0.8383612 -0.4773634 -0.9743059 0.2562113 0.7473543 -0.0144254 -1.5783771 41 Br -1.1992483 -0.0126117 0.7153927 -0.0025992 -0.9365097 -0.6523939 0.6320653 -0.5528297 -1.8047778 42 Br -1.1992483 0.0126117 0.7153927 0.0025992 -0.9365097 0.6523939 0.6320653 0.5528297 -1.8047778 43 Br -1.1992483 -0.0126117 0.7153927 -0.0025992 -0.9365097 -0.6523939 0.6320653 -0.5528297 -1.8047778 44 Br -1.1992483 0.0126117 0.7153927 0.0025992 -0.9365097 0.6523939 0.6320653 0.5528297 -1.8047778 45 Pr 2.8966698 -0.4361782 -0.0813589 -0.3707298 2.9351815 -0.6850939 0.1403226 -0.7421412 3.4628779 46 Pr 2.8966698 0.4361782 -0.0813589 0.3707298 2.9351815 0.6850939 0.1403226 0.7421412 3.4628779 47 Pr 2.8966698 -0.4361782 -0.0813589 -0.3707298 2.9351815 -0.6850939 0.1403226 -0.7421412 3.4628779 48 Pr 2.8966698 0.4361782 -0.0813589 0.3707298 2.9351815 0.6850939 0.1403226 0.7421412 3.4628779 49 Pr 3.4494028 0.9748398 0.1721328 1.0888012 3.8584433 0.5367674 -0.1319759 0.5148141 3.3123219 50 Pr 3.4494028 -0.9748398 0.1721328 -1.0888012 3.8584433 -0.5367674 -0.1319759 -0.5148141 3.3123219 51 Pr 3.4494028 0.9748398 0.1721328 1.0888012 3.8584433 0.5367674 -0.1319759 0.5148141 3.3123219 52 Pr 3.4494028 -0.9748398 0.1721328 -1.0888012 3.8584433 -0.5367674 -0.1319759 -0.5148141 3.3123219 53 Pr 3.5819237 -1.1439904 -0.0323329 -1.0671505 2.7475092 -0.0753857 0.0046711 0.0117580 2.8594044 54 Pr 3.5819237 1.1439904 -0.0323329 1.0671505 2.7475092 0.0753857 0.0046711 -0.0117580 2.8594044 55 Pr 3.5819237 -1.1439904 -0.0323329 -1.0671505 2.7475092 -0.0753857 0.0046711 0.0117580 2.8594044 56 Pr 3.5819237 1.1439904 -0.0323329 1.0671505 2.7475092 0.0753857 0.0046711 -0.0117580 2.8594044 57 Pr 2.8633178 0.8357085 -0.2494415 1.1533286 4.2019761 0.0845732 -0.1368694 -0.0131425 2.8310928 58 Pr 2.8633178 -0.8357085 -0.2494415 -1.1533286 4.2019761 -0.0845732 -0.1368694 0.0131425 2.8310928 59 Pr 2.8633178 0.8357085 -0.2494415 1.1533286 4.2019761 0.0845732 -0.1368694 -0.0131425 2.8310928 60 Pr 2.8633178 -0.8357085 -0.2494415 -1.1533286 4.2019761 -0.0845732 -0.1368694 0.0131425 2.8310928 61 Pr 2.4527839 -0.5275596 -0.5517495 -0.4069127 2.8362922 -0.0241441 -0.5864942 0.2100995 3.3845577 62 Pr 2.4527839 0.5275596 -0.5517495 0.4069127 2.8362922 0.0241441 -0.5864942 -0.2100995 3.3845577 63 Pr 2.4527839 -0.5275596 -0.5517495 -0.4069127 2.8362922 -0.0241441 -0.5864942 0.2100995 3.3845577 64 Pr 2.4527839 0.5275596 -0.5517495 0.4069127 2.8362922 0.0241441 -0.5864942 -0.2100995 3.3845577----------------------------------------------------------------------------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): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 6 3 5 ]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: 0.34, Number of G-points: 313, Lambda: 0.08Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/32) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.744 ( 0.000 0.000 0.000) 0.000 0.744 ( 0.000 0.000 0.000) 0.000 0.788 ( 0.000 0.000 0.000) 0.000 0.817 ( 0.000 0.000 0.000) 0.000 0.874 ( 0.000 0.000 0.000) 0.000 0.893 ( 0.000 0.000 0.000) 0.000 0.950 ( 0.000 0.000 0.000) 0.000 1.005 ( 0.000 0.000 0.000) 0.000 1.023 ( 0.000 0.000 0.000) 0.000 1.061 ( 0.000 0.000 0.000) 0.000 1.115 ( 0.000 0.000 0.000) 0.000 1.120 ( 0.000 0.000 0.000) 0.000 1.155 ( 0.000 0.000 0.000) 0.000 1.275 ( 0.000 0.000 0.000) 0.000 1.307 ( 0.000 0.000 0.000) 0.000 1.405 ( 0.000 0.000 0.000) 0.000 1.419 ( 0.000 0.000 0.000) 0.000 1.419 ( 0.000 0.000 0.000) 0.000 1.422 ( 0.000 0.000 0.000) 0.000 1.463 ( 0.000 0.000 0.000) 0.000 1.463 ( 0.000 0.000 0.000) 0.000 1.503 ( 0.000 0.000 0.000) 0.000 1.504 ( 0.000 0.000 0.000) 0.000 1.569 ( 0.000 0.000 0.000) 0.000 1.577 ( 0.000 0.000 0.000) 0.000 1.581 ( 0.000 0.000 0.000) 0.000 1.610 ( 0.000 0.000 0.000) 0.000 1.639 ( 0.000 0.000 0.000) 0.000 1.651 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.721 ( 0.000 0.000 0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 1.843 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 1.904 ( 0.000 0.000 0.000) 0.000 1.923 ( 0.000 0.000 0.000) 0.000 1.937 ( 0.000 0.000 0.000) 0.000 1.961 ( 0.000 0.000 0.000) 0.000 1.977 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.048 ( 0.000 0.000 0.000) 0.000 2.078 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.171 ( 0.000 0.000 0.000) 0.000 2.200 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.280 ( 0.000 0.000 0.000) 0.000 2.383 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.472 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.555 ( 0.000 0.000 0.000) 0.000 2.584 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.834 ( 0.000 0.000 0.000) 0.000 2.859 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.905 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.028 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 3.252 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.303 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.527 ( 0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 3.810 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 3.861 ( 0.000 0.000 0.000) 0.000 3.867 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 4.016 ( 0.000 0.000 0.000) 0.000 4.022 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.204 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.255 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.308 ( 0.000 0.000 0.000) 0.000 4.365 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.400 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.446 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.667 ( 0.000 0.000 0.000) 0.000 4.690 ( 0.000 0.000 0.000) 0.000 4.703 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 4.729 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 4.872 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 5.076 ( 0.000 0.000 0.000) 0.000 5.093 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.202 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.547 ( 0.000 0.000 0.000) 0.000 5.584 ( 0.000 0.000 0.000) 0.000 5.669 ( 0.000 0.000 0.000) 0.000 5.705 ( 0.000 0.000 0.000) 0.000 11.951 ( 0.000 0.000 0.000) 0.000 12.009 ( 0.000 0.000 0.000) 0.000 12.143 ( 0.000 0.000 0.000) 0.000 12.230 ( 0.000 0.000 0.000) 0.000 14.756 ( 0.000 0.000 0.000) 0.000 14.848 ( 0.000 0.000 0.000) 0.000 14.888 ( 0.000 0.000 0.000) 0.000 14.991 ( 0.000 0.000 0.000) 0.000 15.476 ( 0.000 0.000 0.000) 0.000 15.476 ( 0.000 0.000 0.000) 0.000 15.506 ( 0.000 0.000 0.000) 0.000 15.517 ( 0.000 0.000 0.000) 0.000 16.474 ( 0.000 0.000 0.000) 0.000 16.514 ( 0.000 0.000 0.000) 0.000 16.722 ( 0.000 0.000 0.000) 0.000 16.836 ( 0.000 0.000 0.000) 0.000 17.168 ( 0.000 0.000 0.000) 0.000 17.193 ( 0.000 0.000 0.000) 0.000 17.195 ( 0.000 0.000 0.000) 0.000 17.201 ( 0.000 0.000 0.000) 0.000 34.251 ( 0.000 0.000 0.000) 0.000 34.253 ( 0.000 0.000 0.000) 0.000 34.263 ( 0.000 0.000 0.000) 0.000 34.264 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/32) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.279 ( 12.589 0.000 5.960) 13.928 0.348 ( 14.295 0.000 8.406) 16.584 0.512 ( 16.302 0.000 17.161) 23.669 0.741 ( -5.776 0.000 -2.689) 6.371 0.746 ( 2.885 0.000 -3.895) 4.847 0.787 ( 2.813 0.000 3.089) 4.178 0.797 ( 1.905 0.000 -0.508) 1.972 0.856 ( -0.003 0.000 5.754) 5.754 0.922 ( -2.746 0.000 4.086) 4.923 0.960 ( -0.787 0.000 2.326) 2.455 0.983 ( 0.517 0.000 -1.120) 1.234 1.073 ( 2.408 0.000 0.061) 2.408 1.089 ( 2.084 0.000 0.731) 2.208 1.146 ( 1.744 0.000 -4.486) 4.813 1.167 ( 0.779 0.000 5.576) 5.630 1.182 ( 4.210 0.000 1.565) 4.492 1.240 ( -3.676 0.000 -1.887) 4.132 1.294 ( -0.364 0.000 -1.463) 1.507 1.362 ( -5.914 0.000 -1.225) 6.040 1.362 ( -2.330 0.000 -0.011) 2.330 1.403 ( -0.119 0.000 -2.154) 2.157 1.421 ( -1.266 0.000 -2.195) 2.534 1.450 ( -1.752 0.000 1.650) 2.407 1.455 ( -0.580 0.000 -3.099) 3.153 1.482 ( 0.019 0.000 -4.464) 4.464 1.505 ( -3.766 0.000 -0.549) 3.806 1.506 ( -0.347 0.000 -3.097) 3.117 1.556 ( 0.342 0.000 -1.706) 1.740 1.591 ( 0.007 0.000 -1.131) 1.131 1.598 ( 0.398 0.000 -0.202) 0.446 1.620 ( -1.137 0.000 -0.785) 1.382 1.662 ( -0.615 0.000 -0.332) 0.699 1.677 ( -2.789 0.000 1.017) 2.969 1.720 ( -0.455 0.000 0.487) 0.666 1.736 ( -1.348 0.000 2.912) 3.209 1.800 ( -7.342 0.000 -2.528) 7.764 1.816 ( 0.213 0.000 -0.283) 0.354 1.857 ( 0.108 0.000 2.153) 2.156 1.881 ( -1.242 0.000 -5.143) 5.291 1.882 ( -0.976 0.000 1.099) 1.470 1.899 ( -1.474 0.000 -2.188) 2.638 1.934 ( -0.750 0.000 -1.249) 1.457 1.969 ( -1.697 0.000 1.729) 2.423 1.978 ( -1.816 0.000 0.425) 1.865 2.018 ( 2.728 0.000 -0.206) 2.736 2.031 ( -1.241 0.000 -0.160) 1.251 2.084 ( -0.601 0.000 1.885) 1.978 2.084 ( -0.114 0.000 3.436) 3.437 2.094 ( 1.134 0.000 -2.749) 2.973 2.128 ( -2.083 0.000 -0.993) 2.308 2.146 ( -0.011 0.000 0.622) 0.622 2.158 ( 1.986 0.000 -0.345) 2.016 2.203 ( 2.103 0.000 2.579) 3.328 2.205 ( -1.516 0.000 -1.405) 2.067 2.256 ( 2.119 0.000 3.832) 4.379 2.264 ( 2.788 0.000 0.670) 2.868 2.378 ( 5.141 0.000 -0.169) 5.144 2.406 ( 1.239 0.000 0.774) 1.461 2.411 ( 0.268 0.000 4.359) 4.367 2.506 ( 2.641 0.000 1.934) 3.274 2.512 ( -1.823 0.000 2.012) 2.715 2.554 ( 1.390 0.000 -1.759) 2.242 2.563 ( 1.864 0.000 -0.969) 2.101 2.617 ( 1.762 0.000 1.883) 2.579 2.626 ( 1.314 0.000 -1.337) 1.875 2.660 ( -1.202 0.000 1.044) 1.593 2.711 ( 0.682 0.000 -1.660) 1.795 2.751 ( -1.139 0.000 0.058) 1.140 2.776 ( 0.869 0.000 1.597) 1.818 2.788 ( -4.010 0.000 -0.212) 4.016 2.832 ( 0.900 0.000 -0.657) 1.114 2.855 ( -0.816 0.000 -0.078) 0.820 2.867 ( 0.574 0.000 -1.076) 1.220 2.899 ( 0.412 0.000 -0.833) 0.930 2.918 ( -0.852 0.000 0.587) 1.035 2.942 ( 0.239 0.000 -0.392) 0.459 2.984 ( 1.403 0.000 -0.911) 1.672 3.020 ( -0.833 0.000 -0.047) 0.835 3.030 ( -0.940 0.000 0.339) 0.999 3.053 ( 0.476 0.000 0.910) 1.028 3.119 ( -0.781 0.000 -0.605) 0.989 3.132 ( 0.000 0.000 -0.755) 0.755 3.149 ( 0.289 0.000 0.397) 0.491 3.177 ( 0.056 0.000 -0.606) 0.609 3.215 ( 0.554 0.000 0.064) 0.558 3.225 ( 0.574 0.000 0.405) 0.703 3.225 ( 0.808 0.000 -1.297) 1.528 3.250 ( 0.495 0.000 1.151) 1.253 3.293 ( -1.217 0.000 0.810) 1.462 3.328 ( 2.970 0.000 1.021) 3.141 3.360 ( 0.770 0.000 -0.809) 1.117 3.361 ( 0.355 0.000 0.610) 0.706 3.430 ( -1.110 0.000 -0.588) 1.256 3.431 ( -0.664 0.000 -2.133) 2.234 3.451 ( -0.012 0.000 -0.572) 0.572 3.482 ( 0.601 0.000 1.809) 1.907 3.501 ( -1.704 0.000 -0.806) 1.885 3.539 ( -0.827 0.000 0.801) 1.151 3.563 ( -0.119 0.000 1.669) 1.673 3.607 ( -1.629 0.000 -0.208) 1.642 3.625 ( 1.787 0.000 -0.512) 1.859 3.676 ( -0.501 0.000 -0.146) 0.522 3.691 ( 0.181 0.000 1.431) 1.442 3.724 ( -2.448 0.000 -3.494) 4.266 3.753 ( -1.213 0.000 0.734) 1.417 3.790 ( -0.228 0.000 0.645) 0.684 3.805 ( -1.623 0.000 -2.925) 3.345 3.813 ( -0.325 0.000 -1.231) 1.273 3.826 ( -0.655 0.000 -0.818) 1.048 3.860 ( 0.845 0.000 -2.081) 2.246 3.878 ( 0.242 0.000 -0.470) 0.529 3.879 ( -0.252 0.000 1.321) 1.345 3.886 ( -2.146 0.000 0.309) 2.168 3.900 ( 2.534 0.000 2.119) 3.304 3.929 ( -1.967 0.000 0.405) 2.008 3.956 ( -0.070 0.000 -2.120) 2.121 3.971 ( 0.774 0.000 -0.551) 0.950 3.994 ( 2.230 0.000 3.081) 3.803 4.012 ( 0.667 0.000 1.643) 1.774 4.015 ( -2.318 0.000 -3.986) 4.611 4.047 ( -1.864 0.000 -0.420) 1.910 4.061 ( 0.428 0.000 1.341) 1.407 4.079 ( 0.424 0.000 1.811) 1.860 4.106 ( -0.010 0.000 -1.357) 1.357 4.121 ( 0.050 0.000 -0.881) 0.882 4.137 ( 0.403 0.000 1.776) 1.821 4.177 ( -0.897 0.000 0.439) 0.999 4.199 ( -0.430 0.000 0.293) 0.520 4.206 ( 3.108 0.000 -1.166) 3.320 4.222 ( -0.971 0.000 -0.341) 1.029 4.249 ( -0.472 0.000 -0.502) 0.689 4.256 ( -1.114 0.000 -0.367) 1.173 4.262 ( -2.172 0.000 -1.418) 2.594 4.289 ( -0.601 0.000 -1.246) 1.383 4.301 ( 1.836 0.000 -1.881) 2.628 4.381 ( -0.774 0.000 -0.266) 0.818 4.433 ( 0.565 0.000 2.786) 2.842 4.442 ( 0.505 0.000 -1.132) 1.239 4.453 ( 3.749 0.000 -0.718) 3.817 4.498 ( 0.923 0.000 2.056) 2.253 4.500 ( 0.513 0.000 -4.366) 4.396 4.598 ( 0.866 0.000 0.023) 0.866 4.611 ( 2.214 0.000 -2.231) 3.143 4.626 ( 0.986 0.000 0.688) 1.202 4.667 ( -0.740 0.000 -1.000) 1.244 4.693 ( 1.730 0.000 1.735) 2.450 4.713 ( -0.639 0.000 0.573) 0.859 4.714 ( 0.932 0.000 -0.895) 1.292 4.733 ( -0.744 0.000 0.326) 0.812 4.744 ( 0.355 0.000 -1.708) 1.744 4.768 ( -0.765 0.000 5.268) 5.323 4.804 ( -6.241 0.000 4.448) 7.664 4.832 ( 0.355 0.000 -0.950) 1.014 4.871 ( -1.545 0.000 1.804) 2.375 4.920 ( 1.783 0.000 0.743) 1.932 4.977 ( 0.924 0.000 1.641) 1.883 5.082 ( -0.472 0.000 -0.010) 0.472 5.094 ( 0.754 0.000 0.813) 1.109 5.106 ( -0.141 0.000 0.524) 0.542 5.173 ( -1.397 0.000 -2.474) 2.841 5.177 ( -0.290 0.000 -1.103) 1.140 5.210 ( 0.802 0.000 -0.617) 1.012 5.309 ( -2.115 0.000 -0.303) 2.136 5.412 ( 1.237 0.000 1.177) 1.707 5.567 ( 0.612 0.000 1.187) 1.335 5.608 ( 2.362 0.000 1.402) 2.747 5.642 ( -2.304 0.000 -1.157) 2.578 5.684 ( -1.266 0.000 -1.376) 1.870 11.935 ( -0.040 0.000 -2.285) 2.285 12.029 ( 1.274 0.000 0.817) 1.513 12.136 ( -0.441 0.000 -0.025) 0.441 12.259 ( 1.831 0.000 1.641) 2.459 14.742 ( -1.221 0.000 -0.556) 1.342 14.893 ( -0.213 0.000 1.244) 1.262 14.945 ( -3.759 0.000 -1.666) 4.112 15.091 ( -2.082 0.000 3.723) 4.266 15.478 ( 0.212 0.000 -0.037) 0.216 15.494 ( -0.438 0.000 -0.078) 0.445 15.512 ( -0.407 0.000 -0.233) 0.469 15.516 ( 0.192 0.000 0.396) 0.440 16.456 ( -1.386 0.000 -0.992) 1.705 16.550 ( 2.706 0.000 1.992) 3.360 16.786 ( -3.596 0.000 -2.824) 4.572 16.945 ( -0.325 0.000 -3.782) 3.796 17.173 ( 0.485 0.000 0.155) 0.509 17.177 ( -0.546 0.000 -0.612) 0.820 17.204 ( -0.277 0.000 -0.014) 0.277 17.224 ( 0.368 0.000 -0.916) 0.987 34.253 ( 0.014 0.000 0.147) 0.147 34.256 ( 0.165 0.000 0.110) 0.198 34.260 ( -0.222 0.000 -0.027) 0.224 34.265 ( 0.062 0.000 -0.097) 0.115======================= Grid point 2 (3/32) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.528 ( 9.763 0.000 4.025) 10.560 0.607 ( 6.936 0.000 2.630) 7.418 0.733 ( 0.232 0.000 -1.758) 1.773 0.733 ( 6.772 0.000 3.738) 7.735 0.846 ( 2.839 0.000 4.499) 5.320 0.857 ( 5.616 0.000 4.647) 7.290 0.887 ( -5.141 0.000 1.191) 5.278 0.902 ( 3.973 0.000 6.417) 7.548 0.924 ( 1.134 0.000 4.589) 4.727 0.981 ( 1.330 0.000 2.401) 2.745 1.012 ( 1.392 0.000 0.923) 1.671 1.090 ( -7.920 0.000 -4.701) 9.210 1.101 ( -0.231 0.000 2.472) 2.483 1.121 ( -0.417 0.000 -0.004) 0.417 1.185 ( 4.930 0.000 0.469) 4.952 1.225 ( 0.772 0.000 -3.119) 3.213 1.236 ( 1.479 0.000 4.031) 4.294 1.263 ( 0.377 0.000 -2.473) 2.501 1.272 ( -2.620 0.000 0.863) 2.758 1.302 ( -2.166 0.000 -5.597) 6.001 1.361 ( -2.627 0.000 1.142) 2.864 1.372 ( -1.194 0.000 -1.428) 1.862 1.408 ( -0.555 0.000 -1.909) 1.988 1.442 ( 1.104 0.000 -6.445) 6.539 1.450 ( -4.055 0.000 1.273) 4.250 1.454 ( 2.893 0.000 -2.674) 3.939 1.480 ( 1.343 0.000 -0.339) 1.385 1.534 ( -0.959 0.000 -0.140) 0.969 1.543 ( -4.546 0.000 -2.195) 5.048 1.593 ( -3.321 0.000 0.418) 3.347 1.616 ( -3.437 0.000 0.272) 3.448 1.620 ( 0.842 0.000 0.680) 1.082 1.639 ( 1.775 0.000 -2.320) 2.921 1.666 ( -3.976 0.000 -2.575) 4.737 1.711 ( -1.590 0.000 0.912) 1.833 1.737 ( -1.131 0.000 0.667) 1.313 1.781 ( -3.290 0.000 -0.565) 3.338 1.834 ( 1.311 0.000 -3.925) 4.139 1.849 ( -3.101 0.000 2.107) 3.749 1.860 ( -1.687 0.000 0.771) 1.855 1.909 ( 1.870 0.000 -0.443) 1.921 1.945 ( 1.714 0.000 1.541) 2.304 1.957 ( -1.161 0.000 1.227) 1.689 1.963 ( -0.520 0.000 1.275) 1.377 2.002 ( -0.545 0.000 -2.154) 2.222 2.030 ( -2.868 0.000 -1.389) 3.186 2.045 ( 1.304 0.000 -1.582) 2.050 2.074 ( -1.754 0.000 -1.802) 2.514 2.109 ( -0.360 0.000 2.425) 2.452 2.136 ( 2.411 0.000 0.051) 2.412 2.148 ( -0.166 0.000 0.217) 0.273 2.190 ( -0.063 0.000 0.013) 0.064 2.208 ( 2.815 0.000 0.469) 2.854 2.258 ( 1.455 0.000 1.482) 2.077 2.323 ( 2.657 0.000 0.905) 2.807 2.325 ( 1.526 0.000 2.884) 3.263 2.420 ( -0.169 0.000 0.592) 0.615 2.436 ( 1.369 0.000 1.630) 2.128 2.463 ( -0.799 0.000 3.509) 3.599 2.517 ( 0.979 0.000 1.094) 1.468 2.541 ( 0.120 0.000 -2.504) 2.507 2.566 ( -1.159 0.000 -1.842) 2.177 2.588 ( 3.742 0.000 1.990) 4.238 2.636 ( 1.117 0.000 -0.852) 1.405 2.648 ( -0.966 0.000 1.749) 1.998 2.652 ( -1.027 0.000 0.877) 1.351 2.691 ( 0.230 0.000 -1.209) 1.231 2.720 ( -0.430 0.000 -1.983) 2.029 2.750 ( -0.268 0.000 0.082) 0.281 2.822 ( 2.708 0.000 0.001) 2.708 2.844 ( -0.594 0.000 2.461) 2.531 2.845 ( -0.104 0.000 0.732) 0.740 2.873 ( 0.172 0.000 0.285) 0.333 2.904 ( 0.791 0.000 -0.446) 0.908 2.907 ( -0.496 0.000 0.044) 0.498 2.936 ( -0.158 0.000 0.116) 0.196 2.990 ( -0.204 0.000 -1.300) 1.316 3.020 ( 0.345 0.000 -1.672) 1.707 3.022 ( 0.533 0.000 1.381) 1.480 3.072 ( -0.165 0.000 1.053) 1.066 3.106 ( -0.008 0.000 -0.150) 0.151 3.125 ( 0.233 0.000 -0.981) 1.008 3.157 ( 0.430 0.000 0.215) 0.481 3.159 ( -1.511 0.000 0.047) 1.512 3.207 ( 0.489 0.000 -1.879) 1.941 3.222 ( 0.417 0.000 -0.050) 0.420 3.245 ( 0.621 0.000 0.696) 0.933 3.291 ( -0.302 0.000 1.145) 1.184 3.292 ( 1.924 0.000 1.131) 2.232 3.340 ( -1.594 0.000 -1.654) 2.297 3.378 ( 0.138 0.000 0.289) 0.320 3.385 ( -0.602 0.000 -0.936) 1.113 3.389 ( -2.281 0.000 -0.054) 2.281 3.411 ( 4.239 0.000 0.677) 4.292 3.454 ( 0.641 0.000 -0.796) 1.022 3.478 ( -0.684 0.000 1.175) 1.359 3.497 ( 0.125 0.000 0.368) 0.389 3.535 ( -0.837 0.000 1.088) 1.373 3.575 ( -0.461 0.000 0.407) 0.615 3.587 ( 0.155 0.000 1.028) 1.040 3.629 ( -2.825 0.000 -2.260) 3.618 3.665 ( 2.030 0.000 -0.331) 2.056 3.679 ( -0.887 0.000 0.442) 0.991 3.704 ( 0.241 0.000 -0.042) 0.245 3.732 ( -2.866 0.000 0.578) 2.923 3.750 ( -0.721 0.000 -1.068) 1.288 3.783 ( -1.322 0.000 -2.269) 2.626 3.808 ( -0.415 0.000 -0.486) 0.639 3.808 ( 0.368 0.000 1.387) 1.435 3.824 ( -2.687 0.000 -2.097) 3.409 3.853 ( -0.552 0.000 -0.692) 0.886 3.863 ( -1.633 0.000 -1.008) 1.919 3.885 ( 1.010 0.000 -0.220) 1.034 3.899 ( -1.199 0.000 -0.148) 1.208 3.923 ( -0.542 0.000 -2.838) 2.889 3.950 ( 0.776 0.000 1.078) 1.328 3.983 ( 1.516 0.000 -0.016) 1.516 3.994 ( 1.371 0.000 0.834) 1.604 4.006 ( -0.625 0.000 -0.117) 0.636 4.049 ( -0.485 0.000 0.133) 0.503 4.050 ( 1.041 0.000 -0.264) 1.074 4.068 ( -1.199 0.000 1.598) 1.998 4.075 ( 0.701 0.000 -0.100) 0.709 4.108 ( 0.119 0.000 -1.230) 1.236 4.128 ( 1.682 0.000 1.327) 2.142 4.149 ( -0.761 0.000 0.612) 0.977 4.169 ( 0.485 0.000 -1.061) 1.166 4.183 ( -1.460 0.000 0.582) 1.571 4.199 ( -2.087 0.000 -0.473) 2.140 4.215 ( 0.651 0.000 -1.825) 1.938 4.218 ( -0.218 0.000 1.926) 1.938 4.253 ( -0.102 0.000 -0.467) 0.478 4.259 ( 1.593 0.000 -1.418) 2.133 4.267 ( -1.256 0.000 0.335) 1.300 4.302 ( 0.819 0.000 -2.298) 2.440 4.354 ( -1.409 0.000 -0.678) 1.563 4.414 ( -2.348 0.000 -0.497) 2.400 4.455 ( 1.328 0.000 0.456) 1.404 4.504 ( -1.284 0.000 0.036) 1.285 4.525 ( 3.748 0.000 0.754) 3.823 4.537 ( 4.181 0.000 1.622) 4.484 4.596 ( 2.299 0.000 -1.097) 2.548 4.634 ( -0.458 0.000 0.837) 0.955 4.645 ( 1.820 0.000 0.336) 1.850 4.656 ( -0.390 0.000 0.230) 0.453 4.692 ( -3.212 0.000 1.152) 3.412 4.708 ( -1.950 0.000 -1.031) 2.206 4.724 ( 0.235 0.000 -0.035) 0.238 4.725 ( 1.232 0.000 -0.428) 1.304 4.760 ( -2.659 0.000 0.541) 2.714 4.767 ( 1.282 0.000 1.684) 2.117 4.805 ( -0.290 0.000 2.408) 2.425 4.851 ( -3.046 0.000 1.793) 3.534 4.873 ( 4.988 0.000 0.846) 5.059 4.947 ( 1.424 0.000 -0.509) 1.512 5.012 ( -0.130 0.000 2.768) 2.771 5.070 ( -1.532 0.000 0.188) 1.543 5.094 ( -0.240 0.000 -2.007) 2.021 5.095 ( 0.630 0.000 -2.938) 3.005 5.133 ( -0.515 0.000 -0.522) 0.734 5.151 ( -1.971 0.000 -0.092) 1.973 5.213 ( 0.404 0.000 -0.984) 1.063 5.272 ( -1.713 0.000 0.298) 1.739 5.449 ( 1.638 0.000 0.664) 1.767 5.582 ( -2.566 0.000 -1.493) 2.969 5.584 ( 0.045 0.000 0.920) 0.921 5.649 ( -1.052 0.000 -1.027) 1.471 5.672 ( 2.422 0.000 1.581) 2.892 11.912 ( -0.469 0.000 -0.891) 1.007 12.057 ( 0.883 0.000 0.671) 1.109 12.133 ( -0.159 0.000 0.203) 0.258 12.309 ( 1.683 0.000 1.515) 2.265 14.708 ( -1.694 0.000 -0.758) 1.856 14.863 ( -3.155 0.000 -1.357) 3.434 14.908 ( 0.267 0.000 1.141) 1.172 15.093 ( -0.986 0.000 1.224) 1.571 15.483 ( 0.385 0.000 -0.026) 0.386 15.490 ( -0.107 0.000 -0.040) 0.114 15.501 ( -0.533 0.000 -0.199) 0.569 15.520 ( -0.018 0.000 0.103) 0.105 16.418 ( -1.384 0.000 -1.009) 1.713 16.631 ( 3.260 0.000 2.612) 4.177 16.688 ( -3.379 0.000 -2.766) 4.367 16.887 ( -1.955 0.000 -2.730) 3.358 17.168 ( -0.079 0.000 -0.227) 0.240 17.186 ( 0.707 0.000 0.225) 0.742 17.193 ( -0.621 0.000 -0.300) 0.689 17.218 ( -0.313 0.000 -0.300) 0.434 34.256 ( 0.067 0.000 0.152) 0.166 34.256 ( -0.149 0.000 -0.028) 0.152 34.259 ( 0.116 0.000 0.020) 0.118 34.264 ( -0.023 0.000 -0.097) 0.100======================= Grid point 3 (4/32) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 16Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.641 ( 0.000 0.000 -0.000) 0.000 0.697 ( -0.000 0.000 -0.000) 0.000 0.718 ( 0.000 0.000 0.000) 0.000 0.812 ( 0.000 0.000 0.000) 0.000 0.895 ( 0.000 0.000 0.000) 0.000 0.898 ( 0.000 0.000 0.000) 0.000 0.912 ( 0.000 0.000 0.000) 0.000 0.920 ( 0.000 0.000 0.000) 0.000 0.991 ( 0.000 0.000 -0.000) 0.000 1.006 ( 0.000 0.000 -0.000) 0.000 1.023 ( 0.000 0.000 -0.000) 0.000 1.042 ( 0.000 0.000 0.000) 0.000 1.099 ( 0.000 0.000 -0.000) 0.000 1.099 ( 0.000 0.000 0.000) 0.000 1.188 ( 0.000 0.000 0.000) 0.000 1.232 ( 0.000 0.000 0.000) 0.000 1.237 ( 0.000 0.000 -0.000) 0.000 1.253 ( 0.000 0.000 0.000) 0.000 1.290 ( -0.000 0.000 -0.000) 0.000 1.304 ( 0.000 0.000 0.000) 0.000 1.316 ( 0.000 0.000 0.000) 0.000 1.353 ( 0.000 0.000 0.000) 0.000 1.353 ( 0.000 0.000 0.000) 0.000 1.405 ( 0.000 0.000 0.000) 0.000 1.447 ( 0.000 0.000 0.000) 0.000 1.462 ( -0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 -0.000) 0.000 1.496 ( -0.000 0.000 0.000) 0.000 1.527 ( -0.000 0.000 0.000) 0.000 1.577 ( -0.000 0.000 0.000) 0.000 1.585 ( 0.000 0.000 0.000) 0.000 1.603 ( 0.000 0.000 0.000) 0.000 1.612 ( 0.000 0.000 -0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.732 ( 0.000 0.000 -0.000) 0.000 1.736 ( -0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 1.841 ( 0.000 0.000 -0.000) 0.000 1.844 ( -0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 1.992 ( 0.000 0.000 -0.000) 0.000 1.995 ( -0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.048 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 -0.000) 0.000 2.190 ( 0.000 0.000 0.000) 0.000 2.236 ( 0.000 0.000 -0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.495 ( 0.000 0.000 -0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.642 ( 0.000 0.000 -0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.660 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.696 ( -0.000 0.000 -0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.838 ( -0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 -0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 -0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 -0.000) 0.000 3.194 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 -0.000) 0.000 3.298 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.317 ( 0.000 0.000 0.000) 0.000 3.357 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.499 ( 0.000 0.000 0.000) 0.000 3.521 ( 0.000 0.000 0.000) 0.000 3.525 ( 0.000 0.000 0.000) 0.000 3.581 ( 0.000 0.000 -0.000) 0.000 3.585 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.686 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 3.771 ( 0.000 0.000 0.000) 0.000 3.775 ( -0.000 0.000 -0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.823 ( 0.000 0.000 0.000) 0.000 3.842 ( 0.000 0.000 -0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 -0.000) 0.000 3.961 ( 0.000 0.000 0.000) 0.000 4.002 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 -0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.029 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.086 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.145 ( 0.000 0.000 0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 -0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 -0.000) 0.000 4.224 ( 0.000 0.000 -0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 4.255 ( 0.000 0.000 -0.000) 0.000 4.262 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 -0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 4.390 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.485 ( -0.000 0.000 -0.000) 0.000 4.563 ( 0.000 0.000 0.000) 0.000 4.610 ( 0.000 0.000 0.000) 0.000 4.628 ( 0.000 0.000 -0.000) 0.000 4.642 ( -0.000 0.000 0.000) 0.000 4.647 ( -0.000 0.000 -0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 4.664 ( -0.000 0.000 -0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 4.781 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 4.959 ( -0.000 0.000 -0.000) 0.000 4.998 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 -0.000) 0.000 5.084 ( 0.000 0.000 -0.000) 0.000 5.124 ( 0.000 0.000 0.000) 0.000 5.130 ( 0.000 0.000 0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 5.259 ( -0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.548 ( 0.000 0.000 0.000) 0.000 5.589 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 11.903 ( 0.000 0.000 0.000) 0.000 12.068 ( 0.000 0.000 0.000) 0.000 12.133 ( 0.000 0.000 0.000) 0.000 12.334 ( 0.000 0.000 0.000) 0.000 14.686 ( 0.000 0.000 0.000) 0.000 14.829 ( 0.000 0.000 0.000) 0.000 14.919 ( 0.000 0.000 0.000) 0.000 15.090 ( 0.000 0.000 0.000) 0.000 15.489 ( 0.000 0.000 0.000) 0.000 15.489 ( 0.000 0.000 0.000) 0.000 15.493 ( 0.000 0.000 0.000) 0.000 15.520 ( 0.000 0.000 0.000) 0.000 16.400 ( 0.000 0.000 0.000) 0.000 16.641 ( 0.000 0.000 0.000) 0.000 16.683 ( 0.000 0.000 0.000) 0.000 16.846 ( 0.000 0.000 0.000) 0.000 17.167 ( 0.000 0.000 0.000) 0.000 17.184 ( 0.000 0.000 0.000) 0.000 17.196 ( 0.000 0.000 0.000) 0.000 17.211 ( 0.000 0.000 0.000) 0.000 34.255 ( 0.000 0.000 0.000) 0.000 34.257 ( 0.000 0.000 0.000) 0.000 34.260 ( 0.000 0.000 0.000) 0.000 34.263 ( 0.000 0.000 0.000) 0.000======================= Grid point 7 (5/32) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.255 ( 0.000 14.520 0.000) 14.520 0.323 ( 0.000 17.673 0.000) 17.673 0.443 ( 0.000 16.666 0.000) 16.666 0.534 ( 0.000 -7.289 0.000) 7.289 0.613 ( 0.000 -14.273 0.000) 14.273 0.789 ( 0.000 -8.079 0.000) 8.079 0.850 ( 0.000 0.800 0.000) 0.800 0.852 ( 0.000 -1.834 0.000) 1.834 0.971 ( 0.000 3.579 0.000) 3.579 0.999 ( 0.000 1.692 0.000) 1.692 1.010 ( 0.000 -1.376 0.000) 1.376 1.021 ( 0.000 -4.024 0.000) 4.024 1.039 ( 0.000 3.085 0.000) 3.085 1.069 ( 0.000 0.057 0.000) 0.057 1.157 ( 0.000 6.848 0.000) 6.848 1.179 ( 0.000 1.680 0.000) 1.680 1.236 ( 0.000 -3.673 0.000) 3.673 1.334 ( 0.000 -9.714 0.000) 9.714 1.342 ( 0.000 0.641 0.000) 0.641 1.386 ( 0.000 -3.492 0.000) 3.492 1.416 ( 0.000 3.918 0.000) 3.918 1.435 ( 0.000 1.152 0.000) 1.152 1.483 ( 0.000 1.709 0.000) 1.709 1.487 ( 0.000 0.559 0.000) 0.559 1.513 ( 0.000 0.873 0.000) 0.873 1.522 ( 0.000 -1.944 0.000) 1.944 1.527 ( 0.000 -0.198 0.000) 0.198 1.540 ( 0.000 -2.712 0.000) 2.712 1.594 ( 0.000 0.319 0.000) 0.319 1.596 ( 0.000 -0.451 0.000) 0.451 1.661 ( 0.000 0.918 0.000) 0.918 1.677 ( 0.000 -0.833 0.000) 0.833 1.703 ( 0.000 5.008 0.000) 5.008 1.737 ( 0.000 2.369 0.000) 2.369 1.756 ( 0.000 0.229 0.000) 0.229 1.787 ( 0.000 -2.376 0.000) 2.376 1.867 ( 0.000 1.299 0.000) 1.299 1.874 ( 0.000 0.181 0.000) 0.181 1.912 ( 0.000 -2.123 0.000) 2.123 1.918 ( 0.000 -1.186 0.000) 1.186 1.923 ( 0.000 0.886 0.000) 0.886 1.942 ( 0.000 -2.626 0.000) 2.626 1.962 ( 0.000 -0.007 0.000) 0.007 1.971 ( 0.000 -1.842 0.000) 1.842 2.006 ( 0.000 3.671 0.000) 3.671 2.040 ( 0.000 1.744 0.000) 1.744 2.059 ( 0.000 0.282 0.000) 0.282 2.078 ( 0.000 -2.273 0.000) 2.273 2.098 ( 0.000 1.760 0.000) 1.760 2.124 ( 0.000 -1.821 0.000) 1.821 2.136 ( 0.000 -0.437 0.000) 0.437 2.142 ( 0.000 -0.913 0.000) 0.913 2.191 ( 0.000 2.393 0.000) 2.393 2.236 ( 0.000 -2.189 0.000) 2.189 2.269 ( 0.000 1.401 0.000) 1.401 2.277 ( 0.000 2.571 0.000) 2.571 2.309 ( 0.000 3.102 0.000) 3.102 2.365 ( 0.000 -2.339 0.000) 2.339 2.372 ( 0.000 0.153 0.000) 0.153 2.427 ( 0.000 -4.241 0.000) 4.241 2.503 ( 0.000 0.243 0.000) 0.243 2.530 ( 0.000 -2.217 0.000) 2.217 2.587 ( 0.000 2.099 0.000) 2.099 2.602 ( 0.000 1.861 0.000) 1.861 2.614 ( 0.000 -0.833 0.000) 0.833 2.643 ( 0.000 -2.075 0.000) 2.075 2.739 ( 0.000 0.642 0.000) 0.642 2.750 ( 0.000 -0.572 0.000) 0.572 2.764 ( 0.000 0.980 0.000) 0.980 2.794 ( 0.000 -2.186 0.000) 2.186 2.873 ( 0.000 1.785 0.000) 1.785 2.875 ( 0.000 2.214 0.000) 2.214 2.887 ( 0.000 1.559 0.000) 1.559 2.915 ( 0.000 -2.004 0.000) 2.004 2.937 ( 0.000 1.557 0.000) 1.557 2.947 ( 0.000 2.931 0.000) 2.931 2.975 ( 0.000 -1.604 0.000) 1.604 2.993 ( 0.000 -2.314 0.000) 2.314 3.034 ( 0.000 2.004 0.000) 2.004 3.086 ( 0.000 0.444 0.000) 0.444 3.110 ( 0.000 -0.700 0.000) 0.700 3.110 ( 0.000 -2.488 0.000) 2.488 3.171 ( 0.000 0.339 0.000) 0.339 3.184 ( 0.000 0.100 0.000) 0.100 3.194 ( 0.000 0.629 0.000) 0.629 3.207 ( 0.000 -1.586 0.000) 1.586 3.241 ( 0.000 3.461 0.000) 3.461 3.264 ( 0.000 1.608 0.000) 1.608 3.288 ( 0.000 -1.003 0.000) 1.003 3.299 ( 0.000 -1.487 0.000) 1.487 3.362 ( 0.000 1.565 0.000) 1.565 3.411 ( 0.000 -2.834 0.000) 2.834 3.433 ( 0.000 -0.425 0.000) 0.425 3.442 ( 0.000 1.794 0.000) 1.794 3.448 ( 0.000 -0.745 0.000) 0.745 3.469 ( 0.000 -0.662 0.000) 0.662 3.515 ( 0.000 -0.731 0.000) 0.731 3.516 ( 0.000 -0.662 0.000) 0.662 3.563 ( 0.000 1.478 0.000) 1.478 3.597 ( 0.000 -2.081 0.000) 2.081 3.686 ( 0.000 1.088 0.000) 1.088 3.710 ( 0.000 3.435 0.000) 3.435 3.717 ( 0.000 -2.007 0.000) 2.007 3.752 ( 0.000 0.487 0.000) 0.487 3.756 ( 0.000 -0.543 0.000) 0.543 3.778 ( 0.000 -3.239 0.000) 3.239 3.799 ( 0.000 -0.749 0.000) 0.749 3.802 ( 0.000 -0.432 0.000) 0.432 3.828 ( 0.000 -0.834 0.000) 0.834 3.832 ( 0.000 -0.696 0.000) 0.696 3.889 ( 0.000 0.680 0.000) 0.680 3.894 ( 0.000 0.056 0.000) 0.056 3.907 ( 0.000 2.240 0.000) 2.240 3.929 ( 0.000 1.892 0.000) 1.892 3.933 ( 0.000 0.083 0.000) 0.083 3.949 ( 0.000 0.578 0.000) 0.578 3.971 ( 0.000 0.845 0.000) 0.845 3.972 ( 0.000 -0.436 0.000) 0.436 3.990 ( 0.000 0.796 0.000) 0.796 4.009 ( 0.000 -1.255 0.000) 1.255 4.029 ( 0.000 1.581 0.000) 1.581 4.063 ( 0.000 -1.704 0.000) 1.704 4.100 ( 0.000 -0.401 0.000) 0.401 4.102 ( 0.000 0.360 0.000) 0.360 4.109 ( 0.000 -1.040 0.000) 1.040 4.127 ( 0.000 -1.250 0.000) 1.250 4.173 ( 0.000 1.898 0.000) 1.898 4.208 ( 0.000 -1.344 0.000) 1.344 4.214 ( 0.000 1.797 0.000) 1.797 4.230 ( 0.000 0.959 0.000) 0.959 4.266 ( 0.000 -1.036 0.000) 1.036 4.276 ( 0.000 -1.321 0.000) 1.321 4.279 ( 0.000 2.343 0.000) 2.343 4.320 ( 0.000 -1.603 0.000) 1.603 4.339 ( 0.000 2.551 0.000) 2.551 4.368 ( 0.000 0.498 0.000) 0.498 4.381 ( 0.000 -1.828 0.000) 1.828 4.382 ( 0.000 -1.127 0.000) 1.127 4.440 ( 0.000 0.300 0.000) 0.300 4.445 ( 0.000 -0.194 0.000) 0.194 4.504 ( 0.000 2.322 0.000) 2.322 4.556 ( 0.000 -3.225 0.000) 3.225 4.651 ( 0.000 1.159 0.000) 1.159 4.664 ( 0.000 -0.426 0.000) 0.426 4.692 ( 0.000 0.105 0.000) 0.105 4.694 ( 0.000 0.377 0.000) 0.377 4.697 ( 0.000 -0.337 0.000) 0.337 4.701 ( 0.000 -0.469 0.000) 0.469 4.734 ( 0.000 0.422 0.000) 0.422 4.739 ( 0.000 -0.230 0.000) 0.230 4.772 ( 0.000 1.794 0.000) 1.794 4.813 ( 0.000 -2.520 0.000) 2.520 4.868 ( 0.000 0.133 0.000) 0.133 4.871 ( 0.000 -0.026 0.000) 0.026 4.969 ( 0.000 1.172 0.000) 1.172 5.001 ( 0.000 -2.302 0.000) 2.302 5.097 ( 0.000 0.341 0.000) 0.341 5.098 ( 0.000 0.229 0.000) 0.229 5.128 ( 0.000 4.024 0.000) 4.024 5.182 ( 0.000 -1.842 0.000) 1.842 5.183 ( 0.000 1.477 0.000) 1.477 5.203 ( 0.000 -0.473 0.000) 0.473 5.226 ( 0.000 2.478 0.000) 2.478 5.294 ( 0.000 -4.336 0.000) 4.336 5.561 ( 0.000 1.201 0.000) 1.201 5.579 ( 0.000 -0.646 0.000) 0.646 5.676 ( 0.000 0.788 0.000) 0.788 5.694 ( 0.000 -1.097 0.000) 1.097 11.963 ( 0.000 1.252 0.000) 1.252 11.991 ( 0.000 -1.672 0.000) 1.672 12.178 ( 0.000 2.097 0.000) 2.097 12.214 ( 0.000 -1.697 0.000) 1.697 14.856 ( 0.000 0.855 0.000) 0.855 14.875 ( 0.000 -1.156 0.000) 1.156 14.968 ( 0.000 1.030 0.000) 1.030 14.984 ( 0.000 -0.695 0.000) 0.695 15.477 ( 0.000 0.188 0.000) 0.188 15.482 ( 0.000 -0.330 0.000) 0.330 15.510 ( 0.000 0.377 0.000) 0.377 15.516 ( 0.000 -0.207 0.000) 0.207 16.557 ( 0.000 4.497 0.000) 4.497 16.655 ( 0.000 -5.814 0.000) 5.814 16.866 ( 0.000 1.971 0.000) 1.971 16.889 ( 0.000 -0.715 0.000) 0.715 17.171 ( 0.000 0.299 0.000) 0.299 17.179 ( 0.000 -0.666 0.000) 0.666 17.211 ( 0.000 0.850 0.000) 0.850 17.222 ( 0.000 -0.438 0.000) 0.438 34.251 ( 0.000 0.057 0.000) 0.057 34.252 ( 0.000 -0.055 0.000) 0.055 34.264 ( 0.000 0.091 0.000) 0.091 34.266 ( 0.000 -0.091 0.000) 0.091======================= Grid point 8 (6/32) =======================q-point: ( 0.17 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.351 ( 9.254 6.380 5.106) 12.346 0.370 ( 8.477 8.286 4.325) 12.618 0.557 ( 1.526 -11.845 0.648) 11.961 0.574 ( 3.432 -10.260 4.828) 11.847 0.720 ( 10.345 13.255 9.451) 19.288 0.833 ( -0.166 1.791 2.133) 2.790 0.861 ( 1.062 -0.051 0.917) 1.403 0.895 ( 2.329 -0.033 1.349) 2.691 0.958 ( -1.604 3.015 0.481) 3.449 0.975 ( -1.928 1.277 1.726) 2.886 1.016 ( 1.055 1.522 -0.367) 1.888 1.043 ( 2.186 -2.648 -0.049) 3.434 1.089 ( 1.143 -0.842 2.853) 3.186 1.119 ( 4.972 -3.507 0.466) 6.102 1.167 ( -0.321 2.114 0.241) 2.152 1.205 ( 1.063 3.853 0.552) 4.034 1.233 ( 0.259 -0.864 1.376) 1.645 1.323 ( -0.798 -1.741 -0.988) 2.155 1.338 ( -2.876 3.216 -3.002) 5.256 1.361 ( -0.495 -3.475 -1.999) 4.040 1.372 ( -4.860 -0.129 -0.650) 4.905 1.388 ( 1.343 -3.774 -1.211) 4.185 1.434 ( -3.461 0.261 -1.159) 3.660 1.464 ( -2.375 -1.431 -3.104) 4.162 1.488 ( -0.447 1.213 -0.903) 1.577 1.497 ( -1.452 0.106 -0.613) 1.579 1.523 ( -0.997 -0.238 -1.899) 2.158 1.534 ( -0.447 -4.167 -0.091) 4.192 1.562 ( -1.067 1.086 -2.016) 2.527 1.577 ( -1.109 -0.904 -0.168) 1.441 1.628 ( 0.086 2.816 -4.034) 4.920 1.684 ( 0.369 -0.806 -0.806) 1.199 1.684 ( -1.403 0.643 0.765) 1.723 1.714 ( -2.083 0.070 -1.465) 2.547 1.746 ( -2.113 0.706 2.114) 3.071 1.772 ( -3.288 -1.991 -0.205) 3.849 1.825 ( -3.599 1.113 -0.673) 3.827 1.859 ( -1.928 -1.538 -0.759) 2.580 1.867 ( -1.933 0.460 -0.442) 2.035 1.897 ( -2.100 0.052 0.784) 2.243 1.922 ( 0.212 3.102 -2.665) 4.095 1.927 ( -1.172 -1.278 -0.695) 1.868 1.945 ( -0.269 -1.780 -1.247) 2.190 1.991 ( 0.429 -2.663 -0.294) 2.713 2.005 ( 0.886 3.637 1.218) 3.937 2.051 ( -1.011 1.148 -0.376) 1.575 2.066 ( -2.353 -0.893 0.693) 2.610 2.083 ( -0.022 0.020 1.784) 1.784 2.091 ( 0.855 -0.515 -0.878) 1.329 2.114 ( -0.414 -3.371 0.011) 3.396 2.131 ( 0.349 1.699 1.333) 2.188 2.176 ( 2.316 -1.437 1.039) 2.917 2.204 ( 0.959 2.299 0.391) 2.521 2.221 ( 0.086 0.942 -0.064) 0.948 2.288 ( 1.119 2.813 1.760) 3.502 2.311 ( 3.281 1.776 0.013) 3.731 2.370 ( 2.359 -0.139 0.396) 2.396 2.377 ( 1.838 -0.161 1.487) 2.370 2.404 ( 1.495 -1.591 3.647) 4.250 2.442 ( 0.860 -5.018 0.569) 5.123 2.524 ( 1.870 1.327 0.725) 2.405 2.553 ( 2.614 -1.628 0.370) 3.102 2.589 ( -0.181 2.636 0.480) 2.685 2.616 ( 0.403 -0.154 0.367) 0.567 2.623 ( 1.247 0.547 1.096) 1.748 2.650 ( -0.135 -1.583 1.068) 1.915 2.730 ( -0.264 0.916 -0.716) 1.192 2.748 ( -1.263 -1.217 0.262) 1.774 2.759 ( -0.080 1.017 -0.537) 1.153 2.786 ( -0.032 -1.480 -0.883) 1.724 2.855 ( -0.700 2.302 -0.279) 2.422 2.872 ( -1.145 1.138 -0.319) 1.645 2.879 ( -0.423 1.113 -0.513) 1.297 2.898 ( -0.312 -1.068 -0.900) 1.431 2.945 ( -0.373 2.255 0.621) 2.368 2.950 ( 0.883 0.547 -0.970) 1.421 2.978 ( 0.784 -0.410 0.055) 0.886 2.991 ( -0.790 -1.396 0.768) 1.778 3.029 ( 0.139 0.170 -0.272) 0.350 3.061 ( -1.179 -1.200 -0.264) 1.703 3.104 ( 0.329 0.652 -0.302) 0.790 3.128 ( 0.759 -1.455 0.235) 1.658 3.157 ( -0.082 1.236 -0.580) 1.368 3.179 ( -0.345 -0.427 -0.544) 0.773 3.205 ( 0.509 -0.126 -0.333) 0.621 3.211 ( 0.936 -0.929 -0.534) 1.423 3.253 ( 0.242 2.175 0.454) 2.235 3.271 ( 0.953 2.358 0.817) 2.671 3.289 ( -0.389 -0.979 0.358) 1.112 3.316 ( 1.925 -1.522 1.104) 2.691 3.365 ( -0.205 1.394 0.125) 1.415 3.383 ( -1.470 0.719 -0.333) 1.670 3.417 ( -0.323 -0.909 -0.452) 1.066 3.432 ( -1.102 -1.368 -1.842) 2.545 3.456 ( 0.087 0.737 -0.199) 0.768 3.472 ( 0.419 -0.871 0.684) 1.184 3.500 ( -0.927 0.531 -0.487) 1.173 3.520 ( -0.595 -1.511 0.887) 1.850 3.581 ( -0.312 1.748 1.106) 2.092 3.611 ( 0.082 -0.854 -0.435) 0.962 3.647 ( -0.884 1.858 -1.293) 2.430 3.677 ( -0.592 -1.499 0.023) 1.612 3.697 ( -1.205 1.679 0.174) 2.074 3.711 ( -2.163 -0.461 -1.013) 2.433 3.752 ( -1.575 0.210 0.729) 1.748 3.772 ( -0.692 -1.724 -1.109) 2.164 3.784 ( -0.733 -0.069 -0.101) 0.743 3.810 ( -0.576 -2.646 0.072) 2.708 3.824 ( -0.063 0.283 -0.626) 0.690 3.838 ( 0.379 -0.787 -0.578) 1.047 3.874 ( -0.876 1.338 -1.987) 2.551 3.882 ( 0.291 0.487 -0.247) 0.619 3.915 ( 0.855 0.194 0.241) 0.910 3.920 ( -0.594 0.530 -0.052) 0.798 3.932 ( -0.538 0.350 -0.542) 0.840 3.944 ( -1.740 -0.365 -0.437) 1.830 3.977 ( 0.212 0.193 -0.618) 0.681 3.987 ( 0.714 -0.328 -0.558) 0.964 3.994 ( 1.207 1.072 1.003) 1.901 4.025 ( 0.443 0.026 0.992) 1.087 4.037 ( -0.079 -0.816 -0.639) 1.039 4.053 ( 1.609 -1.217 1.990) 2.834 4.088 ( -0.777 0.898 0.343) 1.236 4.104 ( 0.078 -0.222 0.910) 0.940 4.118 ( 0.326 0.820 -0.681) 1.115 4.153 ( 0.991 -1.774 0.181) 2.040 4.187 ( -1.771 2.379 0.428) 2.996 4.197 ( 1.230 0.515 0.084) 1.336 4.210 ( -1.886 0.428 -0.711) 2.061 4.222 ( 1.069 -0.883 -0.128) 1.393 4.244 ( -0.821 -0.038 -0.078) 0.825 4.249 ( -0.981 -1.164 -1.675) 2.263 4.276 ( -1.043 1.098 -1.085) 1.863 4.281 ( -0.744 0.292 -0.154) 0.814 4.339 ( 0.179 1.985 -1.606) 2.560 4.369 ( -0.408 -1.312 -0.441) 1.443 4.416 ( 2.227 -0.341 0.943) 2.442 4.433 ( 2.788 -1.829 1.847) 3.812 4.453 ( 0.750 1.135 0.773) 1.565 4.472 ( 1.956 -0.550 0.685) 2.144 4.556 ( 1.524 1.526 -1.527) 2.643 4.577 ( 1.276 -1.426 -1.325) 2.328 4.633 ( 0.152 2.575 -2.080) 3.313 4.658 ( 0.284 0.977 -0.660) 1.213 4.666 ( -0.708 0.174 -0.933) 1.184 4.688 ( 0.312 -1.207 0.761) 1.461 4.713 ( -0.286 0.163 0.728) 0.799 4.719 ( 0.342 0.441 0.189) 0.590 4.725 ( -0.832 -0.662 1.356) 1.723 4.733 ( 0.585 -0.592 0.538) 0.991 4.778 ( 1.084 1.499 -0.341) 1.881 4.812 ( 0.986 -1.907 -0.942) 2.344 4.834 ( -6.107 2.145 4.014) 7.617 4.862 ( -3.258 -1.080 3.787) 5.111 4.949 ( 0.541 2.302 -0.480) 2.413 4.975 ( 0.733 -0.547 0.428) 1.010 5.081 ( -0.168 0.694 -1.616) 1.767 5.094 ( -0.286 -0.191 -0.575) 0.670 5.142 ( -0.659 2.243 0.549) 2.402 5.166 ( -1.244 -0.877 -2.176) 2.656 5.191 ( 1.584 2.012 -1.099) 2.787 5.222 ( 0.575 0.684 0.440) 0.996 5.279 ( -0.187 -2.150 0.759) 2.288 5.320 ( 3.056 -6.084 2.830) 7.373 5.577 ( 0.592 1.006 1.051) 1.571 5.596 ( 1.107 -1.004 1.138) 1.878 5.655 ( -1.291 1.074 -0.989) 1.949 5.675 ( -1.137 -1.005 -1.170) 1.916 11.951 ( -0.248 1.830 -1.234) 2.221 11.995 ( 0.385 -2.788 -0.226) 2.824 12.180 ( 0.269 3.564 0.791) 3.661 12.236 ( 1.392 -2.432 1.397) 3.131 14.787 ( -2.758 3.621 -1.745) 4.875 14.849 ( -2.326 -3.377 -0.910) 4.201 14.982 ( -0.674 2.841 1.035) 3.098 15.039 ( 0.600 -3.725 3.315) 5.022 15.479 ( 0.232 0.165 -0.036) 0.287 15.485 ( 0.182 -0.581 0.007) 0.609 15.511 ( -0.123 0.137 0.013) 0.185 15.514 ( -0.176 -0.153 0.100) 0.253 16.565 ( -3.597 5.076 -1.362) 6.369 16.583 ( 0.191 2.749 0.414) 2.787 16.792 ( -3.282 1.807 -3.184) 4.916 16.871 ( -0.772 -6.136 -2.992) 6.870 17.172 ( 0.263 0.045 0.046) 0.271 17.175 ( -0.164 -0.205 -0.245) 0.359 17.208 ( -0.376 0.339 -0.187) 0.540 17.215 ( -0.117 -0.552 -0.449) 0.721 34.254 ( 0.085 0.065 0.146) 0.181 34.255 ( 0.162 -0.087 0.116) 0.217 34.262 ( -0.155 0.161 -0.083) 0.239 34.264 ( -0.017 -0.086 -0.098) 0.132======================= Grid point 9 (7/32) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 46Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.550 ( 9.368 2.197 1.896) 9.807 0.588 ( 9.599 -1.781 2.119) 9.990 0.707 ( 8.539 -1.049 8.392) 12.018 0.723 ( 4.612 -1.858 4.696) 6.840 0.854 ( 0.106 1.146 4.421) 4.569 0.877 ( -1.478 0.571 4.907) 5.156 0.893 ( -3.719 0.685 1.331) 4.009 0.905 ( 1.857 1.666 0.906) 2.655 0.962 ( 0.985 0.657 2.814) 3.053 0.993 ( 3.256 1.817 -0.523) 3.765 1.041 ( -0.646 1.793 0.105) 1.908 1.074 ( -2.612 -1.385 0.338) 2.976 1.085 ( -1.578 0.510 -1.368) 2.149 1.117 ( 0.943 -1.442 -2.544) 3.072 1.183 ( 2.511 0.910 1.181) 2.920 1.229 ( -1.032 2.130 -1.924) 3.050 1.232 ( 1.647 -2.715 1.511) 3.516 1.277 ( 0.770 -0.110 -3.409) 3.497 1.292 ( -1.146 0.095 -1.501) 1.891 1.324 ( -1.311 -1.028 -3.109) 3.527 1.329 ( -2.526 3.764 -0.625) 4.576 1.370 ( -0.669 -0.351 0.886) 1.165 1.388 ( -1.191 -2.008 -1.227) 2.637 1.400 ( -2.934 -3.398 -1.431) 4.712 1.452 ( -1.944 2.088 -2.443) 3.756 1.467 ( -0.101 -0.147 -1.358) 1.370 1.496 ( 0.470 -0.165 -0.896) 1.025 1.529 ( -1.208 -1.989 2.675) 3.546 1.555 ( 0.697 -0.263 0.276) 0.795 1.581 ( -2.346 2.480 0.331) 3.430 1.585 ( 1.719 0.111 -1.311) 2.165 1.644 ( -3.673 -0.036 0.253) 3.682 1.659 ( -1.217 0.559 -1.357) 1.907 1.685 ( -1.095 0.286 -0.769) 1.368 1.697 ( -1.569 -0.215 -0.276) 1.607 1.715 ( -1.504 -1.882 -0.848) 2.554 1.792 ( -1.251 0.898 -0.796) 1.733 1.811 ( -0.479 -1.087 -0.741) 1.400 1.851 ( 0.329 0.040 -0.861) 0.923 1.872 ( -2.684 1.033 0.661) 2.951 1.886 ( -0.198 -0.480 -1.247) 1.351 1.922 ( 0.272 -0.164 0.910) 0.963 1.935 ( -1.709 -3.411 0.463) 3.843 1.978 ( 0.414 -3.452 -0.916) 3.595 1.998 ( -0.965 1.102 0.014) 1.465 2.012 ( -1.352 -0.568 -2.766) 3.131 2.053 ( -1.332 1.883 -0.115) 2.309 2.072 ( -0.438 1.069 -0.985) 1.518 2.099 ( 0.523 -0.497 0.884) 1.141 2.122 ( 0.121 -1.478 0.345) 1.523 2.161 ( -0.007 1.863 1.681) 2.509 2.205 ( -0.238 -1.514 1.103) 1.888 2.242 ( 2.053 0.488 0.855) 2.277 2.248 ( 2.667 1.625 0.708) 3.202 2.332 ( 1.734 2.178 1.446) 3.137 2.352 ( 1.600 0.532 -0.214) 1.700 2.386 ( 0.549 -0.842 0.387) 1.077 2.432 ( 0.166 -1.675 0.664) 1.810 2.450 ( 1.017 -1.685 1.299) 2.358 2.484 ( 1.651 -1.749 3.040) 3.876 2.552 ( -0.186 2.840 0.360) 2.869 2.604 ( 1.207 -1.945 1.126) 2.551 2.605 ( 2.830 1.967 -0.464) 3.478 2.627 ( 0.366 0.925 0.352) 1.055 2.644 ( 0.018 0.578 0.118) 0.590 2.659 ( -0.668 -0.122 0.532) 0.862 2.705 ( -1.520 0.406 -0.239) 1.592 2.710 ( -1.266 -0.673 -0.347) 1.475 2.759 ( 0.636 1.371 -0.458) 1.580 2.795 ( 1.706 -2.235 -0.676) 2.891 2.849 ( 0.044 0.532 0.026) 0.535 2.856 ( -0.887 0.201 0.680) 1.135 2.873 ( -0.237 0.679 0.684) 0.992 2.896 ( 0.301 -1.130 0.019) 1.169 2.937 ( 0.214 2.634 0.349) 2.666 2.968 ( 0.566 2.850 0.327) 2.924 2.981 ( 0.257 -1.562 -0.750) 1.752 3.004 ( 0.905 -1.043 0.705) 1.550 3.029 ( -0.106 0.612 -0.234) 0.664 3.051 ( -0.220 -1.626 0.415) 1.693 3.112 ( 0.783 0.839 0.152) 1.158 3.138 ( 0.354 -1.266 -0.792) 1.534 3.147 ( -0.660 1.146 -0.193) 1.337 3.163 ( -1.069 -0.145 -0.218) 1.100 3.199 ( 0.245 0.074 -1.702) 1.721 3.215 ( 0.215 -1.430 -0.488) 1.526 3.255 ( 0.093 1.685 -0.039) 1.688 3.281 ( -0.157 -0.956 0.020) 0.969 3.315 ( 1.427 1.421 0.424) 2.058 3.343 ( -0.885 -0.195 1.116) 1.438 3.361 ( 0.062 -0.071 -1.342) 1.346 3.391 ( 0.066 0.159 0.970) 0.985 3.396 ( -0.191 -0.275 -0.353) 0.487 3.402 ( 0.918 -0.421 -0.378) 1.078 3.455 ( 0.758 0.239 -0.549) 0.966 3.471 ( 0.078 -1.021 -0.532) 1.154 3.499 ( 0.507 1.154 1.526) 1.979 3.530 ( -0.463 -1.482 2.532) 2.971 3.567 ( -1.019 -0.181 0.073) 1.038 3.576 ( -1.481 -0.784 -0.641) 1.794 3.652 ( -0.848 2.184 -0.483) 2.392 3.671 ( -0.171 0.944 -0.627) 1.146 3.683 ( -1.110 -0.170 0.564) 1.256 3.694 ( -0.201 -1.015 -0.217) 1.057 3.731 ( -1.168 -0.222 -0.066) 1.190 3.745 ( -0.447 -0.772 -0.962) 1.312 3.779 ( -1.471 -0.926 0.817) 1.920 3.785 ( -0.363 -1.409 -0.299) 1.486 3.811 ( -1.676 0.648 -0.895) 2.007 3.818 ( -0.400 1.142 -1.437) 1.879 3.835 ( -1.150 -1.676 -0.612) 2.122 3.851 ( -0.779 -1.808 -1.832) 2.690 3.892 ( 0.078 1.280 -1.825) 2.231 3.903 ( -0.498 0.162 -2.085) 2.150 3.947 ( 0.761 1.829 1.415) 2.434 3.964 ( -0.124 1.079 0.063) 1.088 3.976 ( 1.864 -1.157 2.050) 3.003 3.991 ( 0.059 -1.189 0.087) 1.194 4.010 ( 0.182 1.406 -0.858) 1.657 4.029 ( 0.431 -0.779 0.419) 0.984 4.065 ( -0.421 0.874 1.505) 1.791 4.075 ( -0.612 0.741 0.464) 1.067 4.099 ( 0.504 1.904 0.478) 2.026 4.109 ( 1.197 0.212 -0.569) 1.342 4.128 ( 0.397 -0.735 1.070) 1.357 4.155 ( -0.442 -2.284 -0.186) 2.334 4.164 ( 0.696 0.465 -2.126) 2.285 4.177 ( -0.332 0.073 -0.263) 0.430 4.204 ( -1.785 0.419 0.227) 1.847 4.210 ( -1.103 -0.599 -0.774) 1.475 4.220 ( 0.244 1.194 -0.133) 1.226 4.241 ( -0.430 -0.869 0.415) 1.055 4.266 ( 0.457 0.668 -0.549) 0.978 4.273 ( -0.262 0.066 -0.498) 0.567 4.316 ( -0.356 1.398 -2.407) 2.806 4.344 ( -1.451 -1.323 -1.306) 2.358 4.425 ( -1.000 1.400 0.176) 1.730 4.453 ( 0.021 -1.184 0.601) 1.328 4.520 ( 1.091 1.586 1.075) 2.205 4.531 ( 3.308 0.348 1.380) 3.601 4.543 ( 2.889 1.279 -0.893) 3.283 4.581 ( 1.940 -1.828 -1.989) 3.326 4.625 ( 0.803 0.197 0.685) 1.074 4.643 ( -0.438 -1.347 0.245) 1.438 4.657 ( -1.374 0.891 0.603) 1.745 4.680 ( -2.292 -1.437 1.233) 2.973 4.710 ( -2.157 0.469 -0.610) 2.290 4.720 ( -0.290 -0.318 -0.899) 0.996 4.728 ( 0.703 0.254 0.168) 0.766 4.741 ( -1.244 -1.347 0.583) 1.924 4.798 ( 1.350 1.920 1.879) 3.007 4.820 ( -0.566 -0.213 2.073) 2.160 4.832 ( -0.406 1.877 1.958) 2.742 4.885 ( 2.655 -1.351 1.612) 3.388 4.965 ( 1.176 1.804 -0.168) 2.160 4.997 ( 0.458 -1.474 1.291) 2.012 5.055 ( -1.006 -0.246 -1.536) 1.853 5.076 ( -0.777 -1.062 -0.835) 1.559 5.103 ( -1.494 0.744 -2.776) 3.239 5.125 ( -1.225 -1.038 -0.638) 1.728 5.207 ( 0.737 2.949 -0.511) 3.082 5.221 ( -0.542 0.761 -0.514) 1.066 5.282 ( -0.273 2.796 1.098) 3.016 5.384 ( 1.751 -6.337 1.217) 6.686 5.581 ( -1.513 0.114 -0.620) 1.639 5.585 ( -1.268 -0.163 -0.508) 1.376 5.655 ( 0.113 0.685 -0.054) 0.696 5.667 ( 1.760 -0.540 1.141) 2.166 11.935 ( -0.354 2.539 -0.637) 2.641 11.996 ( 0.079 -4.202 -0.066) 4.203 12.201 ( 0.709 5.010 0.877) 5.135 12.278 ( 1.393 -3.361 1.336) 3.876 14.734 ( -1.982 2.702 -0.965) 3.487 14.796 ( -2.193 -4.203 -0.989) 4.842 14.983 ( -0.445 4.979 0.956) 5.089 15.060 ( -0.534 -3.436 1.275) 3.704 15.484 ( 0.373 0.184 0.005) 0.416 15.488 ( 0.146 -0.193 0.012) 0.242 15.504 ( -0.462 0.328 -0.148) 0.586 15.513 ( -0.169 -0.599 0.025) 0.623 16.491 ( -2.329 6.764 -1.380) 7.285 16.600 ( -0.654 -4.388 0.054) 4.437 16.724 ( -0.633 4.667 -1.238) 4.870 16.828 ( -0.967 -5.852 -1.884) 6.224 17.171 ( -0.006 0.347 -0.157) 0.381 17.179 ( 0.240 -0.519 0.002) 0.572 17.199 ( -0.270 0.473 -0.130) 0.560 17.209 ( -0.233 -0.704 -0.148) 0.757 34.256 ( 0.062 0.075 0.127) 0.160 34.258 ( -0.043 0.007 0.039) 0.059 34.259 ( 0.022 0.127 -0.050) 0.138 34.263 ( -0.041 -0.153 -0.097) 0.186======================= Grid point 10 (8/32) =======================q-point: (-0.50 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.660 ( 0.000 1.968 0.000) 1.968 0.691 ( 0.000 -0.918 0.000) 0.918 0.782 ( 0.000 5.546 -0.000) 5.546 0.816 ( 0.000 0.448 0.000) 0.448 0.864 ( 0.000 -1.401 0.000) 1.401 0.906 ( 0.000 -0.698 0.000) 0.698 0.917 ( 0.000 0.522 0.000) 0.522 0.935 ( -0.000 -5.166 0.000) 5.166 0.962 ( 0.000 2.200 0.000) 2.200 0.983 ( 0.000 -0.153 -0.000) 0.153 1.019 ( 0.000 1.212 0.000) 1.212 1.045 ( 0.000 -1.256 -0.000) 1.256 1.127 ( -0.000 2.261 -0.000) 2.261 1.131 ( 0.000 2.013 0.000) 2.013 1.209 ( 0.000 1.502 -0.000) 1.502 1.215 ( -0.000 -0.547 0.000) 0.547 1.253 ( 0.000 1.904 0.000) 1.904 1.267 ( 0.000 0.625 0.000) 0.625 1.270 ( 0.000 -0.630 0.000) 0.630 1.296 ( -0.000 -3.011 0.000) 3.011 1.307 ( 0.000 -1.820 -0.000) 1.820 1.315 ( 0.000 -3.036 0.000) 3.036 1.325 ( -0.000 0.036 -0.000) 0.036 1.380 ( 0.000 -3.906 -0.000) 3.906 1.419 ( 0.000 0.187 0.000) 0.187 1.426 ( 0.000 -0.154 0.000) 0.154 1.527 ( 0.000 0.547 0.000) 0.547 1.543 ( 0.000 -1.534 0.000) 1.534 1.556 ( 0.000 2.469 0.000) 2.469 1.580 ( 0.000 4.312 0.000) 4.312 1.589 ( 0.000 -0.580 0.000) 0.580 1.619 ( 0.000 1.524 0.000) 1.524 1.632 ( 0.000 2.681 -0.000) 2.681 1.684 ( -0.000 -0.484 0.000) 0.484 1.686 ( 0.000 -0.657 -0.000) 0.657 1.701 ( 0.000 -2.596 0.000) 2.596 1.766 ( 0.000 2.924 0.000) 2.924 1.819 ( 0.000 -2.037 0.000) 2.037 1.844 ( 0.000 0.843 -0.000) 0.843 1.849 ( -0.000 1.849 0.000) 1.849 1.884 ( 0.000 -2.641 0.000) 2.641 1.912 ( 0.000 -4.364 0.000) 4.364 1.939 ( 0.000 -0.936 0.000) 0.936 1.969 ( 0.000 1.381 0.000) 1.381 1.986 ( -0.000 -4.524 0.000) 4.524 1.993 ( 0.000 0.237 0.000) 0.237 2.040 ( 0.000 0.898 -0.000) 0.898 2.054 ( 0.000 1.803 0.000) 1.803 2.110 ( 0.000 -0.900 -0.000) 0.900 2.123 ( 0.000 -1.350 0.000) 1.350 2.167 ( 0.000 1.802 0.000) 1.802 2.209 ( 0.000 -1.257 0.000) 1.257 2.267 ( 0.000 0.597 0.000) 0.597 2.281 ( 0.000 1.789 0.000) 1.789 2.356 ( 0.000 -0.065 0.000) 0.065 2.369 ( 0.000 1.698 0.000) 1.698 2.399 ( 0.000 -1.135 -0.000) 1.135 2.418 ( 0.000 -0.836 0.000) 0.836 2.473 ( 0.000 -0.936 0.000) 0.936 2.506 ( 0.000 -3.480 0.000) 3.480 2.561 ( 0.000 4.015 0.000) 4.015 2.604 ( 0.000 4.119 0.000) 4.119 2.618 ( 0.000 -1.488 0.000) 1.488 2.642 ( 0.000 0.723 0.000) 0.723 2.645 ( 0.000 0.263 -0.000) 0.263 2.653 ( 0.000 -0.715 0.000) 0.715 2.698 ( 0.000 -0.107 0.000) 0.107 2.701 ( 0.000 -0.124 -0.000) 0.124 2.761 ( 0.000 1.498 0.000) 1.498 2.806 ( 0.000 -3.281 0.000) 3.281 2.847 ( 0.000 0.634 0.000) 0.634 2.858 ( 0.000 -0.633 -0.000) 0.633 2.879 ( 0.000 0.809 0.000) 0.809 2.898 ( 0.000 -0.919 0.000) 0.919 2.948 ( 0.000 2.628 0.000) 2.628 2.976 ( 0.000 -0.603 0.000) 0.603 2.978 ( 0.000 2.988 0.000) 2.988 3.011 ( 0.000 -0.009 0.000) 0.009 3.031 ( 0.000 0.150 0.000) 0.150 3.052 ( 0.000 -1.421 0.000) 1.421 3.122 ( 0.000 0.972 0.000) 0.972 3.131 ( 0.000 0.039 -0.000) 0.039 3.137 ( -0.000 -0.247 0.000) 0.247 3.158 ( 0.000 -2.489 -0.000) 2.489 3.182 ( 0.000 1.164 0.000) 1.164 3.212 ( 0.000 -2.193 -0.000) 2.193 3.257 ( 0.000 1.277 0.000) 1.277 3.279 ( 0.000 -1.468 0.000) 1.468 3.316 ( 0.000 0.829 0.000) 0.829 3.339 ( 0.000 -1.651 0.000) 1.651 3.357 ( 0.000 2.793 -0.000) 2.793 3.370 ( 0.000 0.465 0.000) 0.465 3.404 ( 0.000 0.274 0.000) 0.274 3.431 ( 0.000 -1.738 0.000) 1.738 3.459 ( 0.000 1.380 0.000) 1.380 3.494 ( 0.000 -1.930 0.000) 1.930 3.534 ( -0.000 1.498 -0.000) 1.498 3.535 ( 0.000 1.241 0.000) 1.241 3.561 ( 0.000 -1.256 -0.000) 1.256 3.566 ( 0.000 -1.461 0.000) 1.461 3.623 ( 0.000 1.161 0.000) 1.161 3.642 ( 0.000 -1.749 0.000) 1.749 3.665 ( 0.000 1.198 0.000) 1.198 3.695 ( 0.000 -1.009 0.000) 1.009 3.709 ( 0.000 0.795 0.000) 0.795 3.729 ( 0.000 -1.401 0.000) 1.401 3.779 ( 0.000 0.651 0.000) 0.651 3.780 ( -0.000 0.644 -0.000) 0.644 3.807 ( -0.000 -0.799 0.000) 0.799 3.810 ( 0.000 1.099 -0.000) 1.099 3.821 ( 0.000 -1.788 0.000) 1.788 3.838 ( 0.000 -1.334 0.000) 1.334 3.879 ( 0.000 -0.006 0.000) 0.006 3.880 ( 0.000 -0.168 0.000) 0.168 3.963 ( 0.000 3.073 0.000) 3.073 3.966 ( 0.000 0.592 0.000) 0.592 3.989 ( 0.000 -0.883 0.000) 0.883 4.001 ( 0.000 -0.532 0.000) 0.532 4.033 ( 0.000 1.614 -0.000) 1.614 4.038 ( -0.000 0.389 -0.000) 0.389 4.041 ( 0.000 0.360 0.000) 0.360 4.059 ( 0.000 -0.604 0.000) 0.604 4.112 ( 0.000 1.405 0.000) 1.405 4.117 ( 0.000 0.811 0.000) 0.811 4.131 ( 0.000 -0.657 0.000) 0.657 4.155 ( 0.000 -2.113 -0.000) 2.113 4.160 ( -0.000 1.637 0.000) 1.637 4.185 ( 0.000 0.221 0.000) 0.221 4.191 ( 0.000 -0.745 -0.000) 0.745 4.201 ( 0.000 -2.247 -0.000) 2.247 4.217 ( 0.000 1.833 0.000) 1.833 4.243 ( 0.000 -0.874 0.000) 0.874 4.255 ( 0.000 1.202 -0.000) 1.202 4.268 ( 0.000 -0.132 0.000) 0.132 4.291 ( 0.000 0.771 0.000) 0.771 4.319 ( 0.000 -2.037 0.000) 2.037 4.417 ( 0.000 2.285 0.000) 2.285 4.457 ( 0.000 -2.065 0.000) 2.065 4.518 ( 0.000 3.449 0.000) 3.449 4.575 ( 0.000 0.301 0.000) 0.301 4.592 ( 0.000 -3.187 -0.000) 3.187 4.596 ( 0.000 -1.160 0.000) 1.160 4.641 ( 0.000 1.075 -0.000) 1.075 4.642 ( -0.000 0.382 0.000) 0.382 4.661 ( 0.000 -1.221 -0.000) 1.221 4.666 ( 0.000 -0.087 0.000) 0.087 4.667 ( -0.000 0.642 -0.000) 0.642 4.683 ( 0.000 -2.554 0.000) 2.554 4.743 ( 0.000 0.521 0.000) 0.521 4.748 ( 0.000 -0.033 0.000) 0.033 4.817 ( 0.000 0.321 0.000) 0.321 4.825 ( 0.000 -0.529 0.000) 0.529 4.838 ( 0.000 5.395 -0.000) 5.395 4.936 ( 0.000 -4.355 0.000) 4.355 4.982 ( 0.000 0.724 0.000) 0.724 4.992 ( -0.000 1.845 -0.000) 1.845 5.037 ( 0.000 -1.284 0.000) 1.284 5.062 ( -0.000 -1.923 0.000) 1.923 5.072 ( 0.000 1.995 -0.000) 1.995 5.108 ( 0.000 -1.700 0.000) 1.700 5.204 ( 0.000 2.782 0.000) 2.782 5.216 ( 0.000 0.125 0.000) 0.125 5.286 ( 0.000 4.884 0.000) 4.884 5.405 ( 0.000 -6.376 0.000) 6.376 5.555 ( 0.000 0.673 0.000) 0.673 5.572 ( 0.000 -1.223 0.000) 1.223 5.660 ( 0.000 2.103 0.000) 2.103 5.692 ( 0.000 -1.300 0.000) 1.300 11.928 ( 0.000 2.806 0.000) 2.806 11.997 ( 0.000 -4.727 -0.000) 4.727 12.213 ( 0.000 5.597 0.000) 5.597 12.299 ( 0.000 -3.740 0.000) 3.740 14.709 ( 0.000 2.565 0.000) 2.565 14.771 ( 0.000 -4.143 0.000) 4.143 14.986 ( 0.000 5.001 0.000) 5.001 15.061 ( 0.000 -3.173 0.000) 3.173 15.489 ( -0.000 0.056 0.000) 0.056 15.490 ( 0.000 0.036 0.000) 0.036 15.497 ( 0.000 0.559 0.000) 0.559 15.511 ( 0.000 -0.846 0.000) 0.846 16.463 ( 0.000 6.420 0.000) 6.420 16.584 ( 0.000 -5.983 0.000) 5.983 16.725 ( 0.000 4.214 0.000) 4.214 16.806 ( 0.000 -4.115 0.000) 4.115 17.170 ( 0.000 0.393 0.000) 0.393 17.179 ( 0.000 -0.510 0.000) 0.510 17.198 ( 0.000 0.260 0.000) 0.260 17.205 ( 0.000 -0.471 0.000) 0.471 34.257 ( 0.000 0.161 0.000) 0.161 34.258 ( 0.000 0.025 0.000) 0.025 34.260 ( 0.000 0.001 -0.000) 0.001 34.262 ( 0.000 -0.150 0.000) 0.150======================= Grid point 21 (9/32) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.263 ( 5.249 0.000 11.107) 12.285 0.308 ( 3.174 0.000 15.054) 15.385 0.605 ( -2.569 0.000 24.232) 24.368 0.725 ( -1.733 0.000 3.037) 3.497 0.762 ( 2.564 0.000 4.158) 4.885 0.786 ( -1.685 0.000 -0.567) 1.778 0.808 ( -2.742 0.000 -1.662) 3.206 0.905 ( -0.412 0.000 4.173) 4.193 0.961 ( 0.111 0.000 -2.400) 2.403 0.981 ( 0.940 0.000 2.778) 2.932 0.989 ( -1.600 0.000 1.107) 1.946 1.014 ( 1.679 0.000 1.556) 2.289 1.065 ( 2.039 0.000 3.350) 3.922 1.148 ( -0.256 0.000 0.728) 0.772 1.154 ( 2.128 0.000 1.565) 2.642 1.184 ( -1.687 0.000 1.500) 2.257 1.288 ( 0.264 0.000 -3.913) 3.922 1.297 ( -0.195 0.000 -1.295) 1.309 1.355 ( -1.996 0.000 0.148) 2.002 1.382 ( -0.585 0.000 -4.647) 4.683 1.396 ( 0.651 0.000 -6.320) 6.354 1.397 ( 0.629 0.000 1.054) 1.227 1.438 ( -2.705 0.000 -1.380) 3.037 1.456 ( 0.280 0.000 -3.793) 3.803 1.457 ( -0.536 0.000 -4.002) 4.038 1.528 ( -0.632 0.000 -1.237) 1.389 1.537 ( 0.348 0.000 0.584) 0.680 1.562 ( -3.846 0.000 3.247) 5.034 1.593 ( 1.488 0.000 0.601) 1.605 1.608 ( -2.534 0.000 2.553) 3.597 1.618 ( -0.885 0.000 -1.871) 2.070 1.656 ( -0.924 0.000 -0.756) 1.194 1.717 ( -0.461 0.000 -1.361) 1.437 1.737 ( -0.489 0.000 2.026) 2.084 1.756 ( 1.394 0.000 -0.744) 1.580 1.821 ( 2.606 0.000 -3.310) 4.213 1.842 ( -0.711 0.000 -2.418) 2.521 1.867 ( -1.183 0.000 -2.989) 3.215 1.871 ( -1.047 0.000 1.104) 1.522 1.895 ( 1.981 0.000 2.024) 2.833 1.929 ( -2.620 0.000 1.087) 2.836 1.951 ( 0.090 0.000 2.892) 2.894 1.956 ( -1.484 0.000 -0.680) 1.633 1.970 ( 1.668 0.000 -1.198) 2.054 1.996 ( -1.651 0.000 -1.402) 2.166 2.017 ( 2.365 0.000 -0.168) 2.371 2.067 ( 3.247 0.000 -1.444) 3.554 2.100 ( -3.010 0.000 2.115) 3.679 2.147 ( -0.339 0.000 0.292) 0.448 2.150 ( -1.787 0.000 -2.159) 2.803 2.161 ( 0.171 0.000 1.683) 1.691 2.181 ( 0.830 0.000 1.189) 1.450 2.196 ( 0.115 0.000 2.011) 2.015 2.224 ( -3.754 0.000 4.075) 5.540 2.258 ( 2.221 0.000 4.488) 5.008 2.286 ( -1.604 0.000 1.659) 2.307 2.315 ( -0.885 0.000 3.374) 3.488 2.377 ( 2.261 0.000 0.040) 2.261 2.457 ( -0.226 0.000 5.402) 5.407 2.478 ( 1.134 0.000 -2.109) 2.394 2.521 ( 2.931 0.000 -0.947) 3.081 2.526 ( 0.283 0.000 0.286) 0.403 2.563 ( -1.729 0.000 1.104) 2.051 2.586 ( 1.823 0.000 -0.730) 1.964 2.630 ( -2.064 0.000 0.348) 2.093 2.664 ( 1.459 0.000 -1.580) 2.151 2.677 ( 1.672 0.000 -1.007) 1.952 2.728 ( 1.534 0.000 -3.931) 4.220 2.761 ( -0.790 0.000 -0.288) 0.841 2.781 ( 1.865 0.000 -5.734) 6.029 2.832 ( 1.755 0.000 -2.771) 3.280 2.858 ( -1.324 0.000 1.631) 2.100 2.878 ( -1.324 0.000 -0.066) 1.326 2.898 ( -0.703 0.000 -1.154) 1.351 2.916 ( 3.421 0.000 -3.841) 5.144 2.931 ( 0.400 0.000 -0.234) 0.463 2.951 ( -0.666 0.000 0.623) 0.912 3.024 ( -0.035 0.000 -1.351) 1.352 3.056 ( -1.766 0.000 1.294) 2.189 3.080 ( -0.546 0.000 3.624) 3.664 3.129 ( -0.898 0.000 -0.758) 1.175 3.145 ( -2.078 0.000 0.295) 2.099 3.164 ( -0.617 0.000 1.914) 2.011 3.181 ( 0.146 0.000 1.062) 1.072 3.198 ( 1.278 0.000 -0.806) 1.511 3.221 ( -1.830 0.000 -0.006) 1.830 3.235 ( -0.850 0.000 0.376) 0.930 3.251 ( -0.201 0.000 1.251) 1.267 3.300 ( 0.864 0.000 -0.062) 0.866 3.314 ( 0.165 0.000 1.545) 1.554 3.348 ( -0.446 0.000 -1.270) 1.346 3.372 ( -0.383 0.000 1.640) 1.684 3.409 ( 1.422 0.000 -0.849) 1.656 3.435 ( 0.475 0.000 -3.453) 3.486 3.437 ( -2.024 0.000 -0.769) 2.165 3.468 ( 1.594 0.000 -0.478) 1.664 3.510 ( -0.655 0.000 -1.435) 1.577 3.546 ( 3.111 0.000 -1.627) 3.511 3.548 ( 0.492 0.000 0.922) 1.045 3.590 ( 1.381 0.000 3.081) 3.376 3.640 ( -1.489 0.000 -1.154) 1.884 3.651 ( 1.033 0.000 -1.721) 2.007 3.691 ( 0.660 0.000 -0.091) 0.666 3.740 ( -0.965 0.000 -0.568) 1.120 3.774 ( 1.209 0.000 -1.796) 2.165 3.780 ( -1.065 0.000 1.468) 1.814 3.802 ( -1.618 0.000 -3.998) 4.313 3.823 ( -1.931 0.000 -0.693) 2.052 3.831 ( 1.810 0.000 0.566) 1.897 3.834 ( -0.051 0.000 0.387) 0.390 3.870 ( -0.179 0.000 -0.406) 0.443 3.878 ( 1.328 0.000 1.006) 1.666 3.895 ( -0.429 0.000 1.027) 1.113 3.916 ( -0.616 0.000 0.659) 0.902 3.939 ( -1.526 0.000 -0.246) 1.545 3.947 ( 1.173 0.000 -1.097) 1.606 3.976 ( -0.446 0.000 -1.416) 1.485 3.987 ( 1.361 0.000 -1.107) 1.754 4.003 ( 1.395 0.000 -0.199) 1.409 4.004 ( -1.259 0.000 1.767) 2.170 4.047 ( 1.296 0.000 -0.134) 1.303 4.081 ( 2.455 0.000 -1.473) 2.863 4.082 ( -1.989 0.000 -0.976) 2.215 4.109 ( -1.181 0.000 -0.063) 1.183 4.137 ( -2.270 0.000 0.668) 2.366 4.141 ( 0.942 0.000 2.584) 2.750 4.175 ( 1.854 0.000 -2.210) 2.885 4.176 ( -1.002 0.000 0.679) 1.211 4.200 ( 0.497 0.000 0.638) 0.809 4.214 ( -0.688 0.000 -2.140) 2.248 4.245 ( 0.013 0.000 -0.742) 0.742 4.262 ( -1.897 0.000 0.788) 2.054 4.289 ( -1.793 0.000 0.029) 1.793 4.310 ( -1.148 0.000 1.693) 2.046 4.313 ( -1.449 0.000 0.605) 1.570 4.382 ( 1.418 0.000 2.129) 2.558 4.390 ( -0.238 0.000 -0.572) 0.620 4.439 ( -0.537 0.000 0.186) 0.568 4.448 ( -0.139 0.000 2.992) 2.996 4.511 ( -0.960 0.000 1.159) 1.505 4.514 ( -2.086 0.000 -1.447) 2.539 4.554 ( 2.188 0.000 1.193) 2.492 4.610 ( -1.895 0.000 -1.127) 2.204 4.616 ( 1.200 0.000 1.051) 1.595 4.657 ( 0.114 0.000 -1.252) 1.257 4.662 ( 1.858 0.000 -0.633) 1.963 4.691 ( 1.354 0.000 -0.073) 1.356 4.715 ( -0.931 0.000 -0.180) 0.949 4.735 ( 0.741 0.000 0.566) 0.933 4.768 ( -2.362 0.000 0.830) 2.504 4.786 ( 1.638 0.000 2.727) 3.181 4.858 ( 0.458 0.000 0.743) 0.873 4.909 ( -4.372 0.000 3.132) 5.378 4.923 ( -0.072 0.000 1.303) 1.305 4.966 ( 1.099 0.000 1.482) 1.845 5.025 ( -7.955 0.000 -0.952) 8.012 5.069 ( 2.582 0.000 0.266) 2.596 5.078 ( 0.066 0.000 -0.606) 0.609 5.106 ( 0.262 0.000 -2.215) 2.230 5.134 ( 0.874 0.000 -4.774) 4.854 5.220 ( -1.051 0.000 1.060) 1.493 5.229 ( -1.010 0.000 1.564) 1.862 5.324 ( -0.236 0.000 -0.702) 0.741 5.350 ( 3.815 0.000 -1.782) 4.211 5.565 ( 1.042 0.000 1.471) 1.803 5.598 ( 0.206 0.000 0.761) 0.788 5.655 ( -0.424 0.000 -1.235) 1.306 5.689 ( -1.060 0.000 -1.518) 1.851 12.036 ( -1.674 0.000 2.393) 2.920 12.145 ( -0.517 0.000 -0.049) 0.519 12.219 ( -21.697 0.000 0.084) 21.697 12.227 ( 3.049 0.000 -0.268) 3.060 14.767 ( -1.437 0.000 1.144) 1.836 14.886 ( 1.566 0.000 -0.539) 1.657 14.987 ( -2.325 0.000 -0.305) 2.345 14.993 ( 13.942 0.000 -1.230) 13.996 15.477 ( -0.123 0.000 0.086) 0.150 15.484 ( 1.300 0.000 -0.173) 1.312 15.507 ( 0.255 0.000 0.109) 0.278 15.515 ( -0.221 0.000 -0.169) 0.278 16.483 ( -2.026 0.000 0.807) 2.181 16.516 ( 2.483 0.000 0.152) 2.488 16.743 ( 10.083 0.000 -1.832) 10.248 16.797 ( -1.240 0.000 -3.308) 3.533 17.168 ( 0.173 0.000 0.009) 0.174 17.181 ( -0.595 0.000 -0.645) 0.878 17.198 ( 0.712 0.000 0.135) 0.725 17.206 ( 0.118 0.000 0.134) 0.179 34.253 ( 0.026 0.000 0.091) 0.095 34.255 ( 0.165 0.000 0.110) 0.198 34.262 ( 0.086 0.000 -0.117) 0.146 34.263 ( -0.103 0.000 -0.101) 0.144======================= Grid point 22 (10/32) =======================q-point: ( 0.17 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.501 ( 9.094 0.000 6.597) 11.234 0.529 ( 3.919 0.000 13.178) 13.749 0.726 ( -2.536 0.000 0.991) 2.723 0.729 ( -1.112 0.000 -0.797) 1.368 0.785 ( 4.790 0.000 0.293) 4.799 0.853 ( 0.246 0.000 13.348) 13.350 0.895 ( 3.727 0.000 6.122) 7.167 0.951 ( 0.233 0.000 -1.536) 1.553 0.963 ( 2.063 0.000 3.585) 4.137 0.994 ( 1.992 0.000 1.320) 2.390 1.044 ( 0.881 0.000 -2.614) 2.758 1.051 ( -0.103 0.000 5.014) 5.015 1.084 ( 1.736 0.000 -1.309) 2.174 1.165 ( 0.525 0.000 8.788) 8.804 1.169 ( -4.828 0.000 -1.037) 4.938 1.219 ( -0.394 0.000 -2.924) 2.950 1.251 ( 0.066 0.000 -1.127) 1.129 1.261 ( -3.028 0.000 -4.702) 5.593 1.287 ( 0.673 0.000 -0.798) 1.044 1.316 ( -1.267 0.000 -0.570) 1.390 1.334 ( 1.891 0.000 -6.253) 6.532 1.385 ( -0.336 0.000 -2.387) 2.410 1.386 ( -1.648 0.000 -0.665) 1.777 1.414 ( -0.941 0.000 -1.263) 1.576 1.446 ( -1.557 0.000 1.945) 2.491 1.460 ( -2.384 0.000 -3.892) 4.564 1.501 ( -1.229 0.000 -0.642) 1.387 1.532 ( -0.611 0.000 -0.387) 0.723 1.566 ( -1.939 0.000 -2.055) 2.826 1.620 ( -0.498 0.000 2.741) 2.786 1.627 ( -0.722 0.000 -0.525) 0.893 1.649 ( -1.764 0.000 4.567) 4.896 1.691 ( -3.183 0.000 0.356) 3.203 1.707 ( 0.391 0.000 -3.735) 3.755 1.768 ( -6.720 0.000 -0.605) 6.747 1.770 ( -1.062 0.000 0.092) 1.066 1.820 ( 1.228 0.000 -1.608) 2.023 1.829 ( -3.766 0.000 1.840) 4.191 1.858 ( -1.170 0.000 -0.149) 1.179 1.914 ( 1.541 0.000 -0.905) 1.787 1.920 ( -2.013 0.000 2.212) 2.991 1.935 ( -0.500 0.000 2.439) 2.490 1.954 ( 0.436 0.000 -4.240) 4.262 1.979 ( 1.221 0.000 -1.492) 1.928 2.002 ( -5.440 0.000 4.037) 6.774 2.009 ( 1.852 0.000 0.526) 1.925 2.072 ( -1.336 0.000 0.107) 1.340 2.092 ( 2.629 0.000 -2.077) 3.351 2.100 ( -1.680 0.000 0.166) 1.689 2.135 ( 1.368 0.000 -2.319) 2.692 2.181 ( 1.080 0.000 1.369) 1.743 2.185 ( -5.906 0.000 4.390) 7.359 2.235 ( -1.088 0.000 3.776) 3.930 2.236 ( 1.802 0.000 1.663) 2.452 2.291 ( 0.620 0.000 2.839) 2.906 2.336 ( 0.955 0.000 3.560) 3.686 2.386 ( 5.123 0.000 0.305) 5.132 2.412 ( 1.540 0.000 -0.455) 1.605 2.495 ( -1.093 0.000 2.591) 2.812 2.503 ( 4.311 0.000 -1.785) 4.666 2.522 ( -0.367 0.000 -0.928) 0.998 2.548 ( -1.730 0.000 1.994) 2.640 2.575 ( 1.962 0.000 1.416) 2.420 2.600 ( 2.961 0.000 -4.885) 5.712 2.620 ( 0.323 0.000 1.022) 1.072 2.674 ( 0.632 0.000 -0.358) 0.726 2.681 ( -0.690 0.000 -0.192) 0.716 2.695 ( 0.356 0.000 -4.330) 4.345 2.722 ( 0.855 0.000 -5.128) 5.199 2.761 ( 1.558 0.000 -1.547) 2.196 2.836 ( 1.973 0.000 -1.702) 2.605 2.859 ( 0.039 0.000 0.269) 0.271 2.871 ( 1.302 0.000 -1.539) 2.016 2.904 ( 0.818 0.000 1.644) 1.837 2.916 ( 0.238 0.000 -0.369) 0.439 2.950 ( -0.579 0.000 1.168) 1.304 2.957 ( 1.754 0.000 -0.683) 1.883 3.004 ( 0.266 0.000 -2.367) 2.382 3.023 ( -1.608 0.000 -0.733) 1.767 3.099 ( -0.401 0.000 -1.390) 1.446 3.109 ( -1.516 0.000 3.604) 3.910 3.131 ( -1.526 0.000 1.833) 2.384 3.178 ( -0.616 0.000 2.562) 2.635 3.183 ( -0.768 0.000 0.580) 0.963 3.190 ( -0.125 0.000 -0.648) 0.660 3.223 ( -0.272 0.000 0.333) 0.430 3.228 ( 0.912 0.000 0.043) 0.913 3.278 ( 0.883 0.000 0.230) 0.913 3.306 ( -0.325 0.000 0.238) 0.403 3.335 ( 0.393 0.000 -1.845) 1.886 3.350 ( 2.682 0.000 0.719) 2.777 3.390 ( -0.004 0.000 1.595) 1.595 3.399 ( -0.106 0.000 -3.460) 3.462 3.403 ( -1.608 0.000 0.626) 1.726 3.422 ( 1.275 0.000 -1.442) 1.925 3.480 ( 1.523 0.000 -1.150) 1.908 3.493 ( -0.289 0.000 0.510) 0.586 3.549 ( -0.436 0.000 -0.369) 0.571 3.579 ( -0.396 0.000 -1.573) 1.622 3.594 ( 1.698 0.000 0.851) 1.899 3.643 ( -0.318 0.000 2.360) 2.382 3.645 ( -0.597 0.000 -0.524) 0.794 3.689 ( 0.274 0.000 -1.076) 1.110 3.713 ( -2.372 0.000 0.513) 2.426 3.750 ( -0.117 0.000 -1.788) 1.792 3.774 ( -1.080 0.000 0.665) 1.268 3.785 ( -0.647 0.000 -1.344) 1.492 3.802 ( 1.252 0.000 0.573) 1.377 3.823 ( -3.536 0.000 -1.920) 4.024 3.848 ( 0.662 0.000 0.237) 0.703 3.856 ( -1.233 0.000 -0.983) 1.577 3.870 ( 0.541 0.000 -0.286) 0.612 3.893 ( -2.410 0.000 -0.759) 2.527 3.909 ( -1.071 0.000 -1.094) 1.531 3.918 ( -1.622 0.000 -1.205) 2.020 3.933 ( 2.053 0.000 0.635) 2.149 3.968 ( 1.696 0.000 0.054) 1.697 3.979 ( -0.242 0.000 1.189) 1.213 4.007 ( 0.039 0.000 -1.465) 1.466 4.046 ( -0.011 0.000 0.621) 0.621 4.057 ( 1.607 0.000 0.997) 1.891 4.063 ( -1.033 0.000 -0.130) 1.041 4.090 ( 1.274 0.000 1.949) 2.329 4.093 ( -0.444 0.000 -1.491) 1.556 4.134 ( 0.001 0.000 2.917) 2.917 4.138 ( 0.139 0.000 -3.607) 3.610 4.156 ( -0.137 0.000 -1.382) 1.389 4.190 ( 0.585 0.000 0.233) 0.630 4.199 ( -0.632 0.000 -0.479) 0.793 4.226 ( 1.312 0.000 0.326) 1.352 4.235 ( -2.501 0.000 -0.511) 2.552 4.248 ( 0.335 0.000 0.749) 0.820 4.265 ( -0.449 0.000 1.776) 1.832 4.288 ( -1.523 0.000 0.652) 1.657 4.302 ( -1.928 0.000 0.935) 2.143 4.371 ( -1.140 0.000 -0.733) 1.356 4.442 ( 0.689 0.000 0.609) 0.919 4.456 ( -2.072 0.000 -0.665) 2.176 4.476 ( 3.503 0.000 1.717) 3.901 4.489 ( 2.530 0.000 2.448) 3.520 4.519 ( -0.206 0.000 -0.019) 0.207 4.537 ( 1.247 0.000 -3.631) 3.839 4.625 ( 1.320 0.000 1.506) 2.003 4.641 ( 0.818 0.000 -0.377) 0.901 4.672 ( -0.566 0.000 1.774) 1.862 4.694 ( -0.160 0.000 -0.618) 0.638 4.708 ( 1.768 0.000 0.930) 1.997 4.730 ( 0.224 0.000 -0.172) 0.282 4.741 ( -1.529 0.000 0.565) 1.631 4.766 ( 2.513 0.000 3.758) 4.521 4.828 ( 0.643 0.000 1.228) 1.386 4.834 ( -4.706 0.000 -0.715) 4.760 4.868 ( -3.971 0.000 2.992) 4.972 4.892 ( -1.047 0.000 -0.786) 1.309 4.952 ( -1.891 0.000 1.600) 2.477 5.002 ( 2.301 0.000 0.482) 2.351 5.074 ( 0.032 0.000 -2.636) 2.636 5.075 ( -0.154 0.000 -2.801) 2.805 5.093 ( -0.668 0.000 1.347) 1.504 5.134 ( 2.102 0.000 -1.185) 2.413 5.185 ( -3.871 0.000 2.470) 4.592 5.220 ( -1.184 0.000 0.299) 1.221 5.302 ( -1.560 0.000 -0.301) 1.589 5.392 ( 4.093 0.000 -2.389) 4.739 5.593 ( 0.204 0.000 1.222) 1.239 5.610 ( -2.604 0.000 -1.813) 3.173 5.643 ( 2.715 0.000 1.745) 3.228 5.651 ( -0.792 0.000 -1.697) 1.873 11.991 ( -6.794 0.000 3.934) 7.851 12.079 ( -2.219 0.000 3.107) 3.818 12.137 ( -0.211 0.000 -0.097) 0.232 12.287 ( 3.005 0.000 1.377) 3.306 14.744 ( -2.566 0.000 0.840) 2.700 14.900 ( 1.058 0.000 -0.830) 1.345 14.914 ( -4.439 0.000 -1.437) 4.666 15.084 ( 2.687 0.000 -1.884) 3.281 15.478 ( 0.133 0.000 0.008) 0.133 15.490 ( 0.094 0.000 -0.257) 0.273 15.508 ( -0.419 0.000 -0.190) 0.460 15.516 ( 0.498 0.000 -0.108) 0.510 16.446 ( -2.575 0.000 -0.023) 2.575 16.583 ( 4.257 0.000 1.063) 4.388 16.715 ( -3.172 0.000 -3.473) 4.704 16.828 ( 4.482 0.000 -5.124) 6.808 17.168 ( -0.276 0.000 -0.265) 0.382 17.176 ( 0.632 0.000 0.125) 0.644 17.200 ( -0.541 0.000 -0.284) 0.611 17.211 ( 0.587 0.000 -0.235) 0.632 34.256 ( 0.076 0.000 0.119) 0.142 34.258 ( 0.110 0.000 0.100) 0.148 34.258 ( -0.173 0.000 -0.112) 0.206 34.262 ( 0.074 0.000 -0.164) 0.180======================= Grid point 23 (11/32) =======================q-point: ( 0.33 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.642 ( 4.380 0.000 1.351) 4.583 0.691 ( 1.769 0.000 6.682) 6.912 0.700 ( 1.806 0.000 -3.585) 4.014 0.804 ( 5.877 0.000 0.458) 5.895 0.877 ( -0.820 0.000 3.470) 3.566 0.891 ( -3.615 0.000 -0.616) 3.667 0.910 ( -1.315 0.000 1.822) 2.247 0.938 ( -2.005 0.000 -4.994) 5.382 1.009 ( -0.083 0.000 -0.685) 0.690 1.014 ( 0.519 0.000 0.510) 0.728 1.027 ( 1.598 0.000 1.794) 2.402 1.076 ( -0.325 0.000 6.261) 6.270 1.142 ( 0.223 0.000 -2.032) 2.045 1.151 ( -0.771 0.000 -3.841) 3.918 1.161 ( -3.584 0.000 -0.293) 3.596 1.182 ( 0.004 0.000 2.020) 2.020 1.228 ( -0.163 0.000 1.787) 1.795 1.240 ( 3.093 0.000 3.233) 4.475 1.261 ( 0.556 0.000 -4.684) 4.717 1.293 ( -0.713 0.000 -0.709) 1.005 1.301 ( 1.375 0.000 -4.604) 4.805 1.357 ( -1.107 0.000 -1.111) 1.568 1.393 ( -2.522 0.000 2.942) 3.875 1.403 ( 0.159 0.000 0.286) 0.327 1.455 ( 0.684 0.000 -0.525) 0.862 1.475 ( 2.541 0.000 6.004) 6.520 1.482 ( -1.495 0.000 0.900) 1.745 1.508 ( -2.902 0.000 0.690) 2.983 1.522 ( 0.496 0.000 -0.649) 0.817 1.585 ( -1.556 0.000 -1.052) 1.878 1.613 ( -3.216 0.000 -2.013) 3.794 1.647 ( -3.888 0.000 0.857) 3.982 1.663 ( -0.951 0.000 5.555) 5.636 1.682 ( -1.005 0.000 3.897) 4.024 1.712 ( -0.537 0.000 -0.001) 0.537 1.743 ( -1.483 0.000 1.150) 1.877 1.795 ( -4.416 0.000 -1.886) 4.802 1.796 ( 0.345 0.000 -0.167) 0.384 1.834 ( -0.147 0.000 1.257) 1.266 1.888 ( -1.989 0.000 -1.195) 2.320 1.918 ( 1.888 0.000 -4.966) 5.313 1.934 ( -0.736 0.000 -1.440) 1.618 1.964 ( -0.503 0.000 2.913) 2.956 1.969 ( 2.891 0.000 -0.590) 2.951 2.000 ( -2.772 0.000 5.306) 5.987 2.028 ( -0.280 0.000 0.085) 0.292 2.052 ( -2.681 0.000 1.269) 2.966 2.070 ( -2.400 0.000 2.489) 3.457 2.109 ( 1.065 0.000 -1.650) 1.964 2.128 ( 2.308 0.000 -3.022) 3.803 2.171 ( -0.941 0.000 2.443) 2.618 2.224 ( 1.828 0.000 0.786) 1.990 2.241 ( -3.278 0.000 4.636) 5.678 2.264 ( 0.302 0.000 0.386) 0.490 2.346 ( 1.615 0.000 1.811) 2.427 2.360 ( -0.295 0.000 -0.302) 0.422 2.424 ( 1.617 0.000 -4.384) 4.672 2.429 ( 0.908 0.000 0.839) 1.236 2.484 ( -1.598 0.000 0.177) 1.608 2.503 ( -0.369 0.000 -4.973) 4.987 2.521 ( 0.472 0.000 1.371) 1.450 2.557 ( -0.867 0.000 2.342) 2.497 2.599 ( 3.811 0.000 -2.412) 4.510 2.612 ( 1.734 0.000 -1.879) 2.557 2.634 ( 0.279 0.000 -0.135) 0.310 2.654 ( -1.203 0.000 -0.721) 1.403 2.655 ( 1.912 0.000 -4.598) 4.980 2.680 ( 0.892 0.000 -0.150) 0.904 2.727 ( 2.091 0.000 -1.853) 2.794 2.776 ( 2.691 0.000 -2.714) 3.822 2.854 ( 1.423 0.000 -0.981) 1.728 2.867 ( 0.719 0.000 -0.581) 0.925 2.875 ( 1.827 0.000 -2.152) 2.823 2.915 ( -1.790 0.000 2.152) 2.799 2.923 ( -0.006 0.000 1.382) 1.382 2.944 ( -0.709 0.000 -0.655) 0.965 2.966 ( 1.050 0.000 -1.076) 1.504 2.981 ( 2.026 0.000 -4.640) 5.064 3.031 ( -0.040 0.000 4.105) 4.106 3.103 ( -2.759 0.000 2.710) 3.867 3.106 ( 1.048 0.000 0.443) 1.138 3.129 ( -0.814 0.000 1.477) 1.687 3.171 ( -1.478 0.000 0.131) 1.484 3.179 ( -0.481 0.000 0.191) 0.517 3.201 ( -0.160 0.000 1.834) 1.841 3.229 ( 0.800 0.000 -1.912) 2.073 3.237 ( -0.088 0.000 1.200) 1.204 3.285 ( 1.688 0.000 -1.196) 2.069 3.302 ( -0.081 0.000 -0.097) 0.126 3.310 ( -0.623 0.000 -1.427) 1.557 3.358 ( -0.114 0.000 -2.733) 2.735 3.374 ( -0.081 0.000 0.268) 0.280 3.405 ( 0.205 0.000 1.309) 1.325 3.432 ( 1.447 0.000 -1.013) 1.766 3.434 ( 1.744 0.000 2.079) 2.714 3.494 ( 0.793 0.000 -0.030) 0.794 3.508 ( 0.477 0.000 0.619) 0.781 3.527 ( -0.715 0.000 -1.677) 1.823 3.571 ( 0.809 0.000 -1.620) 1.811 3.613 ( -0.418 0.000 0.412) 0.587 3.615 ( -2.915 0.000 -0.257) 2.926 3.662 ( 0.594 0.000 0.954) 1.124 3.673 ( -1.874 0.000 -0.887) 2.073 3.690 ( 0.773 0.000 -0.078) 0.777 3.715 ( -3.280 0.000 -1.195) 3.490 3.740 ( 0.469 0.000 -1.369) 1.447 3.767 ( 0.404 0.000 0.229) 0.465 3.787 ( -0.215 0.000 1.086) 1.107 3.819 ( 0.552 0.000 0.483) 0.734 3.828 ( -2.575 0.000 1.183) 2.834 3.843 ( -1.140 0.000 -0.203) 1.158 3.854 ( -0.313 0.000 -0.337) 0.460 3.882 ( -0.735 0.000 0.009) 0.735 3.894 ( 0.952 0.000 1.582) 1.846 3.911 ( 0.063 0.000 0.381) 0.386 3.947 ( 0.651 0.000 -1.354) 1.502 3.985 ( 0.828 0.000 -1.391) 1.619 3.999 ( 0.823 0.000 -0.574) 1.004 4.004 ( 0.800 0.000 1.846) 2.012 4.033 ( -0.885 0.000 -0.941) 1.292 4.051 ( -0.391 0.000 -0.870) 0.954 4.081 ( -0.556 0.000 -0.555) 0.785 4.086 ( 0.452 0.000 0.164) 0.481 4.094 ( 0.606 0.000 1.330) 1.461 4.137 ( -0.246 0.000 -1.950) 1.966 4.150 ( 0.807 0.000 -0.578) 0.993 4.158 ( -0.414 0.000 0.878) 0.971 4.195 ( -0.189 0.000 -0.362) 0.409 4.206 ( 0.279 0.000 1.672) 1.695 4.211 ( -0.399 0.000 1.757) 1.801 4.230 ( 1.495 0.000 -1.159) 1.891 4.249 ( -1.299 0.000 2.658) 2.959 4.269 ( -1.908 0.000 0.246) 1.924 4.274 ( -1.536 0.000 1.840) 2.397 4.302 ( 0.166 0.000 2.049) 2.056 4.349 ( -0.619 0.000 -0.238) 0.663 4.413 ( -2.063 0.000 0.706) 2.180 4.463 ( 1.042 0.000 -0.070) 1.044 4.499 ( -1.413 0.000 -0.543) 1.514 4.541 ( 2.801 0.000 1.388) 3.126 4.548 ( 4.040 0.000 -2.466) 4.733 4.593 ( 3.960 0.000 3.234) 5.112 4.644 ( -0.019 0.000 -1.173) 1.173 4.654 ( -1.124 0.000 -1.875) 2.186 4.661 ( 0.869 0.000 0.319) 0.926 4.673 ( -1.529 0.000 0.851) 1.750 4.702 ( -2.170 0.000 -0.950) 2.369 4.730 ( -0.995 0.000 -1.387) 1.707 4.745 ( 0.341 0.000 1.580) 1.617 4.761 ( -2.408 0.000 0.272) 2.423 4.795 ( -0.914 0.000 1.312) 1.599 4.831 ( -2.172 0.000 0.284) 2.191 4.852 ( -2.465 0.000 -1.393) 2.831 4.902 ( 4.053 0.000 1.899) 4.476 4.959 ( 0.537 0.000 2.070) 2.139 5.013 ( -0.570 0.000 -4.231) 4.270 5.043 ( -0.378 0.000 -1.769) 1.809 5.069 ( 1.106 0.000 2.540) 2.770 5.100 ( -0.900 0.000 1.799) 2.011 5.131 ( -0.083 0.000 -1.223) 1.226 5.162 ( -2.259 0.000 2.455) 3.336 5.216 ( 0.543 0.000 0.478) 0.723 5.265 ( -2.062 0.000 -0.899) 2.249 5.427 ( 3.211 0.000 -2.446) 4.036 5.556 ( -1.414 0.000 -0.889) 1.670 5.599 ( -0.656 0.000 0.552) 0.857 5.630 ( -0.019 0.000 -0.750) 0.750 5.693 ( 1.332 0.000 0.448) 1.406 11.951 ( -3.577 0.000 3.973) 5.346 12.085 ( -0.942 0.000 1.843) 2.069 12.134 ( -0.085 0.000 -0.223) 0.239 12.337 ( 0.602 0.000 1.283) 1.417 14.708 ( -2.307 0.000 0.748) 2.426 14.843 ( -2.088 0.000 -0.649) 2.187 14.903 ( 0.931 0.000 -1.586) 1.839 15.084 ( 0.105 0.000 -1.679) 1.682 15.483 ( 0.424 0.000 0.013) 0.424 15.489 ( 0.015 0.000 -0.050) 0.052 15.499 ( -0.456 0.000 -0.061) 0.460 15.519 ( 0.095 0.000 -0.124) 0.156 16.413 ( -1.364 0.000 0.474) 1.444 16.648 ( -1.283 0.000 -0.861) 1.545 16.653 ( 2.933 0.000 -0.919) 3.074 16.822 ( 1.403 0.000 -2.565) 2.924 17.166 ( 0.084 0.000 0.032) 0.089 17.188 ( -0.452 0.000 -0.138) 0.473 17.190 ( 0.745 0.000 0.184) 0.767 17.210 ( -0.146 0.000 -0.399) 0.425 34.255 ( -0.076 0.000 -0.092) 0.119 34.257 ( 0.009 0.000 -0.023) 0.024 34.261 ( 0.036 0.000 0.119) 0.124 34.262 ( 0.086 0.000 -0.114) 0.143======================= Grid point 24 (12/32) =======================q-point: (-0.50 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.662 ( -2.205 0.000 -3.400) 4.053 0.706 ( 4.817 0.000 -10.423) 11.482 0.742 ( -1.227 0.000 -0.324) 1.269 0.778 ( -11.805 0.000 10.364) 15.709 0.816 ( 1.558 0.000 -0.092) 1.560 0.830 ( -5.761 0.000 -2.951) 6.472 0.900 ( -2.573 0.000 0.241) 2.584 0.926 ( -5.229 0.000 -5.281) 7.432 0.972 ( 7.147 0.000 1.190) 7.245 1.011 ( 0.916 0.000 -4.880) 4.965 1.011 ( -2.961 0.000 -1.372) 3.263 1.061 ( -0.966 0.000 1.156) 1.507 1.086 ( -8.442 0.000 0.565) 8.461 1.118 ( -0.571 0.000 0.107) 0.581 1.155 ( 3.945 0.000 -0.409) 3.966 1.213 ( -1.113 0.000 -1.189) 1.629 1.231 ( 1.397 0.000 -0.210) 1.412 1.283 ( 3.161 0.000 0.684) 3.234 1.293 ( 2.031 0.000 -0.590) 2.115 1.321 ( 1.362 0.000 5.548) 5.713 1.339 ( -3.840 0.000 -1.421) 4.095 1.360 ( 3.837 0.000 1.913) 4.288 1.382 ( 4.152 0.000 3.572) 5.477 1.402 ( 0.897 0.000 0.019) 0.897 1.478 ( -1.180 0.000 2.653) 2.903 1.482 ( 2.492 0.000 -1.057) 2.707 1.503 ( -0.892 0.000 1.622) 1.851 1.514 ( -2.589 0.000 -0.116) 2.591 1.533 ( -0.744 0.000 2.852) 2.948 1.573 ( 0.609 0.000 -0.497) 0.786 1.592 ( 1.020 0.000 1.338) 1.683 1.646 ( 1.329 0.000 2.989) 3.271 1.647 ( -4.635 0.000 2.522) 5.277 1.708 ( -2.562 0.000 3.269) 4.153 1.717 ( -0.795 0.000 2.686) 2.801 1.732 ( 0.756 0.000 -1.199) 1.418 1.758 ( 0.077 0.000 3.163) 3.164 1.831 ( -1.715 0.000 1.577) 2.330 1.833 ( 4.558 0.000 -1.034) 4.674 1.845 ( -0.155 0.000 -2.772) 2.777 1.904 ( 2.015 0.000 -2.979) 3.596 1.933 ( 0.671 0.000 0.230) 0.709 1.958 ( -2.278 0.000 -1.957) 3.003 1.994 ( -0.544 0.000 0.767) 0.940 2.003 ( -3.657 0.000 5.788) 6.847 2.015 ( 2.929 0.000 -4.794) 5.618 2.037 ( -0.804 0.000 3.628) 3.716 2.091 ( -0.422 0.000 3.850) 3.873 2.098 ( -0.820 0.000 -0.158) 0.835 2.142 ( 1.418 0.000 -1.249) 1.890 2.180 ( -0.967 0.000 2.142) 2.351 2.227 ( -0.952 0.000 -1.940) 2.161 2.241 ( -2.941 0.000 4.706) 5.549 2.263 ( -0.892 0.000 0.420) 0.986 2.327 ( -1.304 0.000 -2.885) 3.166 2.340 ( -1.282 0.000 -3.399) 3.633 2.412 ( 1.185 0.000 -0.740) 1.397 2.419 ( -1.367 0.000 -1.472) 2.009 2.453 ( -1.853 0.000 0.012) 1.853 2.508 ( 5.782 0.000 -1.944) 6.100 2.514 ( -0.744 0.000 -2.480) 2.589 2.579 ( -0.710 0.000 4.107) 4.168 2.587 ( -0.203 0.000 -3.575) 3.581 2.610 ( 0.928 0.000 -2.938) 3.081 2.635 ( 0.463 0.000 -0.797) 0.922 2.649 ( 0.391 0.000 0.625) 0.737 2.662 ( 3.254 0.000 -3.151) 4.529 2.702 ( 1.327 0.000 -1.028) 1.678 2.727 ( 1.181 0.000 -1.199) 1.683 2.768 ( 1.354 0.000 -4.461) 4.662 2.845 ( -0.344 0.000 -1.789) 1.821 2.863 ( -0.128 0.000 -0.218) 0.253 2.879 ( 1.166 0.000 -1.866) 2.200 2.909 ( -1.481 0.000 1.711) 2.263 2.928 ( -0.861 0.000 0.419) 0.958 2.954 ( -0.180 0.000 3.268) 3.273 2.966 ( 2.715 0.000 -4.034) 4.863 2.989 ( 1.436 0.000 0.120) 1.441 3.071 ( -1.871 0.000 4.261) 4.654 3.085 ( -2.242 0.000 0.305) 2.263 3.111 ( -0.453 0.000 0.205) 0.497 3.130 ( -0.451 0.000 0.139) 0.471 3.154 ( 0.032 0.000 1.651) 1.651 3.171 ( -0.562 0.000 -0.387) 0.682 3.216 ( 1.511 0.000 -1.178) 1.915 3.230 ( 0.051 0.000 0.694) 0.696 3.236 ( -0.736 0.000 0.568) 0.930 3.287 ( -0.732 0.000 -1.088) 1.311 3.305 ( 0.365 0.000 -0.237) 0.436 3.321 ( 2.111 0.000 1.027) 2.347 3.346 ( 1.731 0.000 -1.581) 2.344 3.380 ( 0.006 0.000 -0.131) 0.131 3.403 ( -2.026 0.000 0.951) 2.238 3.441 ( 1.266 0.000 -1.606) 2.045 3.450 ( 0.822 0.000 -0.649) 1.047 3.470 ( -3.611 0.000 -2.642) 4.475 3.498 ( -0.410 0.000 -0.174) 0.445 3.510 ( 0.863 0.000 -0.722) 1.125 3.550 ( 0.540 0.000 -3.618) 3.659 3.599 ( -1.396 0.000 -0.151) 1.404 3.608 ( 2.011 0.000 2.279) 3.039 3.666 ( 0.460 0.000 -0.203) 0.503 3.672 ( 0.764 0.000 -1.458) 1.646 3.696 ( 0.137 0.000 -0.824) 0.836 3.697 ( 0.809 0.000 0.831) 1.160 3.753 ( 0.928 0.000 2.484) 2.652 3.787 ( 0.123 0.000 1.549) 1.554 3.807 ( 1.019 0.000 2.149) 2.379 3.812 ( -1.523 0.000 -0.580) 1.630 3.829 ( -0.416 0.000 2.285) 2.322 3.840 ( 0.933 0.000 0.376) 1.006 3.853 ( 0.800 0.000 0.087) 0.804 3.883 ( 0.439 0.000 0.510) 0.673 3.906 ( -1.100 0.000 -0.014) 1.100 3.938 ( 1.095 0.000 2.867) 3.069 3.947 ( 0.388 0.000 0.180) 0.427 3.976 ( 0.792 0.000 -2.268) 2.402 4.004 ( -0.048 0.000 -0.694) 0.696 4.012 ( -1.092 0.000 0.715) 1.305 4.040 ( 0.836 0.000 -0.609) 1.034 4.042 ( 0.847 0.000 1.114) 1.400 4.067 ( -0.363 0.000 -1.113) 1.171 4.085 ( -0.660 0.000 0.017) 0.660 4.119 ( 0.233 0.000 1.682) 1.698 4.122 ( 1.111 0.000 -1.012) 1.502 4.155 ( 0.733 0.000 -1.028) 1.263 4.158 ( -2.594 0.000 -0.306) 2.612 4.179 ( 1.258 0.000 1.581) 2.020 4.192 ( -1.443 0.000 0.416) 1.502 4.216 ( -1.272 0.000 -1.053) 1.652 4.233 ( 0.233 0.000 -0.721) 0.758 4.243 ( -0.624 0.000 1.391) 1.525 4.287 ( -0.538 0.000 2.968) 3.016 4.300 ( -1.834 0.000 0.195) 1.844 4.324 ( 2.006 0.000 3.907) 4.392 4.346 ( -0.199 0.000 1.123) 1.140 4.406 ( -0.400 0.000 1.242) 1.305 4.469 ( 0.287 0.000 -0.835) 0.883 4.482 ( 0.184 0.000 0.307) 0.358 4.573 ( -3.502 0.000 -2.275) 4.176 4.583 ( -1.123 0.000 1.763) 2.090 4.597 ( 3.821 0.000 -1.716) 4.189 4.631 ( -0.357 0.000 -0.440) 0.567 4.641 ( -2.015 0.000 -0.583) 2.098 4.654 ( -0.490 0.000 -0.275) 0.562 4.664 ( -0.508 0.000 -1.236) 1.336 4.675 ( 1.610 0.000 -0.766) 1.783 4.716 ( 1.571 0.000 0.607) 1.684 4.743 ( -0.741 0.000 -0.666) 0.996 4.756 ( 0.996 0.000 -0.834) 1.299 4.793 ( -2.647 0.000 0.856) 2.782 4.799 ( -0.750 0.000 -0.419) 0.859 4.811 ( -0.958 0.000 1.226) 1.556 4.937 ( -3.386 0.000 -1.472) 3.692 4.967 ( 2.218 0.000 -0.849) 2.374 4.984 ( -1.687 0.000 1.581) 2.311 5.036 ( 1.951 0.000 -0.457) 2.003 5.095 ( 1.366 0.000 -2.908) 3.213 5.109 ( -0.143 0.000 1.453) 1.460 5.148 ( 0.074 0.000 4.154) 4.155 5.162 ( -1.307 0.000 2.935) 3.213 5.218 ( -0.065 0.000 -0.105) 0.124 5.247 ( 1.043 0.000 -0.637) 1.222 5.433 ( 1.163 0.000 -3.329) 3.526 5.557 ( 1.537 0.000 0.812) 1.738 5.586 ( -0.978 0.000 -0.302) 1.024 5.636 ( 1.113 0.000 0.212) 1.133 5.689 ( -1.216 0.000 -1.214) 1.718 11.958 ( -1.776 0.000 5.237) 5.530 12.084 ( -1.501 0.000 1.671) 2.247 12.129 ( 0.023 0.000 -0.454) 0.454 12.326 ( -1.919 0.000 -1.015) 2.171 14.704 ( 0.147 0.000 1.826) 1.832 14.837 ( 1.221 0.000 0.963) 1.555 14.890 ( 0.315 0.000 -2.596) 2.615 15.059 ( 0.226 0.000 -3.165) 3.173 15.489 ( -0.121 0.000 0.007) 0.121 15.489 ( 0.028 0.000 0.013) 0.031 15.495 ( 0.294 0.000 0.199) 0.355 15.517 ( -0.005 0.000 -0.282) 0.282 16.417 ( 0.322 0.000 1.729) 1.759 16.637 ( -1.006 0.000 -3.897) 4.025 16.664 ( 2.056 0.000 2.148) 2.974 16.844 ( 3.140 0.000 -0.847) 3.252 17.169 ( 0.070 0.000 0.208) 0.220 17.187 ( 0.301 0.000 0.260) 0.398 17.194 ( -0.518 0.000 -0.230) 0.567 17.208 ( 0.662 0.000 -0.274) 0.717 34.254 ( 0.080 0.000 -0.053) 0.096 34.255 ( -0.078 0.000 -0.135) 0.156 34.261 ( -0.090 0.000 0.060) 0.108 34.263 ( 0.140 0.000 -0.013) 0.141======================= Grid point 25 (13/32) =======================q-point: (-0.33 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.502 ( -10.685 0.000 -8.025) 13.363 0.518 ( -11.808 0.000 -5.541) 13.044 0.704 ( -1.052 0.000 0.494) 1.163 0.707 ( -13.427 0.000 7.718) 15.487 0.788 ( 1.823 0.000 0.199) 1.834 0.807 ( -2.569 0.000 -0.799) 2.691 0.838 ( -3.089 0.000 0.062) 3.090 0.839 ( 2.289 0.000 -3.196) 3.931 0.929 ( -10.179 0.000 2.947) 10.597 0.958 ( -1.928 0.000 0.092) 1.931 0.993 ( 0.681 0.000 -0.839) 1.081 1.079 ( -0.708 0.000 -3.835) 3.900 1.080 ( 0.171 0.000 1.213) 1.225 1.120 ( 7.870 0.000 -1.705) 8.052 1.177 ( -2.789 0.000 0.573) 2.847 1.241 ( 5.400 0.000 -1.979) 5.751 1.253 ( -4.256 0.000 3.588) 5.566 1.269 ( 3.116 0.000 -0.808) 3.219 1.311 ( 1.967 0.000 -2.211) 2.959 1.315 ( -2.400 0.000 3.434) 4.190 1.396 ( 3.020 0.000 -1.303) 3.289 1.418 ( 1.283 0.000 4.712) 4.884 1.444 ( 0.863 0.000 3.316) 3.427 1.455 ( -2.108 0.000 -1.122) 2.388 1.460 ( 0.909 0.000 2.237) 2.415 1.501 ( 2.082 0.000 -0.334) 2.109 1.509 ( 1.896 0.000 -1.277) 2.287 1.561 ( 0.275 0.000 3.037) 3.050 1.569 ( 5.585 0.000 0.447) 5.603 1.605 ( 2.468 0.000 2.048) 3.207 1.618 ( 0.633 0.000 -0.110) 0.642 1.623 ( -1.486 0.000 1.705) 2.262 1.676 ( -3.766 0.000 1.588) 4.087 1.703 ( 2.482 0.000 -0.478) 2.527 1.745 ( 1.955 0.000 -0.976) 2.185 1.752 ( 0.651 0.000 4.056) 4.108 1.807 ( 0.714 0.000 0.901) 1.149 1.829 ( 1.251 0.000 0.614) 1.393 1.836 ( 1.017 0.000 0.899) 1.357 1.900 ( 3.088 0.000 0.760) 3.180 1.916 ( 2.071 0.000 -2.046) 2.911 1.929 ( 1.461 0.000 2.241) 2.675 1.929 ( -0.858 0.000 -0.971) 1.296 1.968 ( -4.600 0.000 2.962) 5.471 2.007 ( 3.108 0.000 -6.585) 7.282 2.012 ( -0.065 0.000 0.534) 0.538 2.064 ( -0.453 0.000 2.356) 2.400 2.074 ( -2.825 0.000 1.055) 3.016 2.139 ( 0.276 0.000 -1.527) 1.551 2.144 ( 0.816 0.000 4.652) 4.723 2.175 ( -0.696 0.000 -3.416) 3.487 2.189 ( -2.388 0.000 3.907) 4.579 2.232 ( -3.825 0.000 1.290) 4.037 2.243 ( -2.504 0.000 3.647) 4.424 2.261 ( -2.200 0.000 -3.318) 3.981 2.280 ( -1.329 0.000 -2.417) 2.758 2.398 ( 0.740 0.000 -1.748) 1.898 2.403 ( -1.899 0.000 0.423) 1.946 2.432 ( -1.858 0.000 -1.319) 2.278 2.479 ( 0.205 0.000 0.064) 0.215 2.521 ( -1.372 0.000 -4.295) 4.509 2.574 ( 3.520 0.000 -3.304) 4.828 2.588 ( 0.041 0.000 -2.335) 2.335 2.604 ( -1.783 0.000 2.645) 3.189 2.635 ( 1.010 0.000 -0.182) 1.026 2.651 ( -0.536 0.000 -0.302) 0.615 2.676 ( 0.983 0.000 -4.024) 4.143 2.702 ( 4.214 0.000 -0.854) 4.300 2.744 ( 0.610 0.000 -0.492) 0.784 2.754 ( 0.766 0.000 -0.394) 0.862 2.829 ( 1.025 0.000 -1.263) 1.626 2.862 ( -0.262 0.000 0.431) 0.505 2.883 ( 2.124 0.000 -2.063) 2.961 2.902 ( -1.155 0.000 1.034) 1.550 2.923 ( -0.693 0.000 1.065) 1.271 2.962 ( 1.717 0.000 -3.512) 3.909 2.972 ( -1.808 0.000 2.066) 2.745 3.015 ( 0.907 0.000 0.777) 1.194 3.025 ( -1.406 0.000 -1.050) 1.755 3.083 ( -1.952 0.000 2.486) 3.161 3.114 ( 0.601 0.000 0.400) 0.722 3.140 ( -0.145 0.000 1.875) 1.881 3.156 ( -0.648 0.000 -0.198) 0.677 3.190 ( 0.753 0.000 2.187) 2.313 3.216 ( 0.045 0.000 -1.445) 1.446 3.234 ( -0.255 0.000 0.416) 0.488 3.244 ( 0.169 0.000 1.404) 1.414 3.264 ( -2.845 0.000 -1.312) 3.133 3.268 ( 0.321 0.000 -0.580) 0.663 3.355 ( -1.507 0.000 -1.345) 2.020 3.364 ( 1.691 0.000 -0.183) 1.701 3.382 ( -2.250 0.000 -0.319) 2.272 3.385 ( 3.173 0.000 0.455) 3.206 3.433 ( 1.151 0.000 0.856) 1.434 3.440 ( 1.506 0.000 -1.872) 2.402 3.470 ( -1.241 0.000 -2.790) 3.053 3.478 ( 1.894 0.000 1.040) 2.161 3.516 ( 0.835 0.000 -0.042) 0.837 3.528 ( 1.715 0.000 -2.884) 3.356 3.569 ( 0.190 0.000 -2.778) 2.785 3.657 ( -1.246 0.000 -0.487) 1.338 3.665 ( 0.169 0.000 -0.778) 0.796 3.690 ( -0.265 0.000 -0.242) 0.359 3.690 ( 3.544 0.000 2.173) 4.157 3.730 ( 1.678 0.000 0.829) 1.872 3.768 ( 0.248 0.000 -2.011) 2.027 3.814 ( 0.917 0.000 1.781) 2.003 3.818 ( 0.146 0.000 3.430) 3.433 3.844 ( 0.236 0.000 2.776) 2.786 3.854 ( 0.973 0.000 0.118) 0.980 3.856 ( 1.080 0.000 -1.107) 1.546 3.870 ( 0.320 0.000 0.606) 0.686 3.888 ( -0.555 0.000 0.350) 0.656 3.905 ( 0.973 0.000 1.298) 1.622 3.930 ( -1.850 0.000 -0.052) 1.851 3.966 ( 1.187 0.000 -1.813) 2.167 3.986 ( -0.174 0.000 0.890) 0.907 4.002 ( -0.104 0.000 -0.362) 0.377 4.012 ( -2.522 0.000 -1.149) 2.771 4.028 ( 0.283 0.000 3.043) 3.056 4.037 ( -0.639 0.000 -1.791) 1.902 4.060 ( 0.246 0.000 0.941) 0.972 4.078 ( -0.841 0.000 -0.363) 0.916 4.113 ( 0.167 0.000 -2.460) 2.466 4.117 ( -0.573 0.000 0.305) 0.650 4.151 ( -0.610 0.000 2.853) 2.918 4.167 ( 0.745 0.000 -2.137) 2.263 4.180 ( 0.783 0.000 -0.026) 0.783 4.195 ( 0.675 0.000 0.905) 1.129 4.212 ( 0.313 0.000 -1.802) 1.829 4.235 ( 1.803 0.000 1.703) 2.480 4.265 ( 0.325 0.000 1.681) 1.712 4.269 ( -1.575 0.000 0.118) 1.579 4.314 ( -0.664 0.000 3.803) 3.860 4.342 ( -0.438 0.000 1.052) 1.139 4.380 ( -0.265 0.000 0.770) 0.815 4.412 ( 0.129 0.000 -1.048) 1.056 4.465 ( -0.225 0.000 0.536) 0.582 4.493 ( -0.231 0.000 -0.404) 0.465 4.494 ( -3.313 0.000 -0.874) 3.426 4.560 ( -1.333 0.000 1.722) 2.178 4.602 ( 0.532 0.000 0.354) 0.639 4.628 ( -0.696 0.000 -0.179) 0.719 4.649 ( 0.317 0.000 -0.212) 0.381 4.657 ( 0.978 0.000 -0.067) 0.980 4.662 ( 2.912 0.000 -1.058) 3.098 4.706 ( 1.119 0.000 1.317) 1.728 4.710 ( -1.078 0.000 -2.922) 3.114 4.726 ( 1.686 0.000 0.594) 1.787 4.736 ( -3.378 0.000 -1.655) 3.762 4.766 ( -2.327 0.000 0.371) 2.357 4.780 ( 1.131 0.000 0.486) 1.231 4.852 ( 0.812 0.000 4.438) 4.512 4.892 ( -2.572 0.000 2.795) 3.798 4.951 ( -2.014 0.000 -0.993) 2.246 4.968 ( -0.236 0.000 -1.277) 1.298 5.066 ( 1.061 0.000 0.349) 1.117 5.071 ( 0.780 0.000 -3.589) 3.673 5.121 ( -0.537 0.000 1.166) 1.284 5.175 ( 0.261 0.000 0.728) 0.773 5.189 ( 0.269 0.000 3.014) 3.026 5.239 ( -1.122 0.000 0.250) 1.149 5.268 ( 3.155 0.000 1.105) 3.343 5.392 ( -0.309 0.000 -4.803) 4.813 5.566 ( -0.574 0.000 -0.722) 0.923 5.608 ( 2.781 0.000 0.907) 2.925 5.637 ( -2.620 0.000 -1.642) 3.092 5.669 ( 1.826 0.000 0.937) 2.053 12.010 ( -0.356 0.000 6.233) 6.243 12.091 ( -1.458 0.000 6.800) 6.954 12.129 ( 0.539 0.000 -0.187) 0.571 12.267 ( -1.969 0.000 -2.904) 3.508 14.738 ( 0.706 0.000 2.125) 2.239 14.864 ( 0.639 0.000 -2.957) 3.025 14.901 ( 3.630 0.000 2.472) 4.391 15.011 ( 0.098 0.000 -6.846) 6.846 15.484 ( -0.360 0.000 0.088) 0.371 15.489 ( 0.058 0.000 -0.086) 0.103 15.506 ( 0.550 0.000 0.279) 0.617 15.512 ( -0.090 0.000 -0.654) 0.660 16.454 ( 0.868 0.000 2.488) 2.635 16.564 ( -1.991 0.000 -3.744) 4.241 16.743 ( 3.737 0.000 2.357) 4.419 16.877 ( 3.441 0.000 -4.543) 5.699 17.175 ( 0.308 0.000 0.524) 0.608 17.180 ( -0.602 0.000 -0.341) 0.692 17.198 ( 0.468 0.000 0.147) 0.491 17.214 ( 0.562 0.000 -0.815) 0.990 34.252 ( -0.085 0.000 -0.145) 0.169 34.256 ( 0.199 0.000 -0.025) 0.201 34.259 ( -0.216 0.000 -0.028) 0.218 34.265 ( 0.097 0.000 0.021) 0.099======================= Grid point 26 (14/32) =======================q-point: (-0.17 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.228 ( -12.823 0.000 1.216) 12.880 0.249 ( -13.500 0.000 0.948) 13.533 0.549 ( -19.051 0.000 18.774) 26.747 0.715 ( 1.060 0.000 -0.712) 1.276 0.759 ( -2.262 0.000 -2.397) 3.296 0.815 ( -1.712 0.000 0.946) 1.956 0.836 ( 2.617 0.000 -3.559) 4.417 0.867 ( 3.552 0.000 6.497) 7.404 0.879 ( -3.611 0.000 6.483) 7.421 0.952 ( -0.749 0.000 2.311) 2.430 0.998 ( 0.570 0.000 -0.344) 0.666 1.039 ( 0.751 0.000 -2.674) 2.778 1.075 ( -3.211 0.000 0.314) 3.226 1.126 ( -1.404 0.000 -0.016) 1.404 1.137 ( -1.673 0.000 -1.566) 2.292 1.234 ( -3.293 0.000 2.880) 4.374 1.300 ( 4.943 0.000 -5.183) 7.162 1.302 ( 2.668 0.000 -2.396) 3.586 1.327 ( -1.272 0.000 5.990) 6.123 1.375 ( 4.876 0.000 0.664) 4.921 1.416 ( -0.425 0.000 -0.696) 0.815 1.426 ( 2.128 0.000 -3.026) 3.699 1.458 ( 0.012 0.000 0.461) 0.461 1.460 ( -0.410 0.000 -0.335) 0.529 1.480 ( 0.896 0.000 -1.202) 1.499 1.499 ( 0.080 0.000 -1.100) 1.103 1.562 ( 2.474 0.000 1.511) 2.898 1.580 ( -1.700 0.000 -1.869) 2.527 1.587 ( -1.193 0.000 0.696) 1.381 1.613 ( -1.661 0.000 1.895) 2.520 1.640 ( 0.364 0.000 -0.958) 1.025 1.658 ( -0.770 0.000 2.317) 2.442 1.679 ( 4.262 0.000 2.104) 4.753 1.727 ( 1.011 0.000 -0.731) 1.248 1.766 ( 0.942 0.000 -1.275) 1.585 1.811 ( 0.836 0.000 1.192) 1.456 1.823 ( 4.344 0.000 0.231) 4.350 1.858 ( -0.042 0.000 1.822) 1.822 1.876 ( -0.904 0.000 -3.827) 3.933 1.902 ( 0.822 0.000 4.992) 5.060 1.921 ( -0.030 0.000 -3.996) 3.996 1.955 ( 2.587 0.000 -0.210) 2.595 1.960 ( 1.317 0.000 -0.857) 1.571 1.979 ( 0.768 0.000 0.195) 0.793 1.990 ( -2.103 0.000 -1.841) 2.795 1.999 ( 3.317 0.000 1.818) 3.783 2.035 ( -1.327 0.000 -0.759) 1.529 2.084 ( -0.422 0.000 3.020) 3.050 2.130 ( 0.748 0.000 -0.566) 0.938 2.156 ( 1.011 0.000 0.066) 1.013 2.176 ( -3.313 0.000 -0.308) 3.327 2.187 ( -3.452 0.000 4.638) 5.781 2.200 ( -1.240 0.000 3.570) 3.779 2.214 ( -0.999 0.000 1.431) 1.745 2.230 ( -0.109 0.000 -2.262) 2.264 2.261 ( -0.339 0.000 2.829) 2.849 2.352 ( -4.852 0.000 1.269) 5.015 2.376 ( -0.620 0.000 -2.122) 2.211 2.410 ( -0.584 0.000 2.827) 2.887 2.482 ( 0.704 0.000 -1.318) 1.494 2.506 ( 0.518 0.000 1.977) 2.044 2.537 ( -0.260 0.000 -4.728) 4.735 2.578 ( 0.044 0.000 -0.651) 0.652 2.585 ( -2.315 0.000 1.126) 2.574 2.644 ( -0.382 0.000 0.637) 0.743 2.657 ( 1.572 0.000 -0.638) 1.696 2.659 ( 2.224 0.000 -3.394) 4.058 2.740 ( 1.105 0.000 -2.383) 2.627 2.768 ( 4.789 0.000 -2.545) 5.423 2.772 ( 0.770 0.000 0.318) 0.833 2.835 ( 1.653 0.000 -2.479) 2.979 2.862 ( -0.924 0.000 1.244) 1.550 2.893 ( -0.811 0.000 0.805) 1.143 2.901 ( 2.062 0.000 -1.944) 2.834 2.926 ( -0.730 0.000 0.288) 0.784 2.947 ( 1.107 0.000 -3.360) 3.538 2.949 ( -0.847 0.000 0.351) 0.917 3.030 ( 0.448 0.000 -0.238) 0.507 3.033 ( 1.107 0.000 1.688) 2.019 3.077 ( -1.746 0.000 2.059) 2.700 3.137 ( 0.821 0.000 0.558) 0.992 3.148 ( -0.498 0.000 0.892) 1.022 3.161 ( -0.220 0.000 2.102) 2.114 3.191 ( -2.635 0.000 -1.470) 3.018 3.197 ( -0.192 0.000 -1.095) 1.111 3.222 ( -0.552 0.000 3.581) 3.623 3.247 ( 0.399 0.000 -0.110) 0.413 3.251 ( -1.059 0.000 0.536) 1.187 3.283 ( 1.125 0.000 0.142) 1.134 3.319 ( -0.949 0.000 -0.181) 0.966 3.366 ( -0.741 0.000 1.041) 1.278 3.373 ( -0.731 0.000 -0.181) 0.753 3.405 ( 1.224 0.000 -2.858) 3.109 3.436 ( 1.117 0.000 -0.435) 1.199 3.461 ( 0.957 0.000 0.296) 1.002 3.465 ( 1.327 0.000 -1.212) 1.798 3.514 ( 1.240 0.000 0.628) 1.390 3.531 ( 2.088 0.000 -1.643) 2.657 3.534 ( -0.065 0.000 0.321) 0.328 3.543 ( 1.291 0.000 -2.999) 3.265 3.646 ( 0.696 0.000 0.306) 0.760 3.654 ( 0.590 0.000 -1.745) 1.842 3.682 ( -0.128 0.000 0.153) 0.200 3.746 ( 1.869 0.000 -0.395) 1.910 3.773 ( 2.313 0.000 -0.769) 2.437 3.774 ( 1.459 0.000 0.782) 1.656 3.813 ( -0.856 0.000 -1.974) 2.151 3.834 ( -0.633 0.000 -1.063) 1.237 3.854 ( -0.381 0.000 -0.516) 0.641 3.863 ( -0.317 0.000 0.963) 1.013 3.871 ( 0.109 0.000 2.029) 2.032 3.881 ( -0.267 0.000 -0.746) 0.792 3.901 ( -1.677 0.000 -2.244) 2.801 3.907 ( 1.420 0.000 4.632) 4.845 3.935 ( 1.247 0.000 0.571) 1.372 3.939 ( -2.960 0.000 0.410) 2.989 3.966 ( -0.360 0.000 -2.669) 2.693 3.973 ( -1.221 0.000 -0.563) 1.344 3.981 ( 1.072 0.000 -0.196) 1.090 4.024 ( -1.490 0.000 -0.444) 1.555 4.025 ( 0.289 0.000 0.755) 0.809 4.078 ( 0.669 0.000 2.992) 3.065 4.100 ( -0.714 0.000 -1.846) 1.979 4.121 ( 0.773 0.000 -0.744) 1.073 4.128 ( 2.726 0.000 3.505) 4.440 4.149 ( -1.642 0.000 0.020) 1.642 4.157 ( 1.586 0.000 -0.648) 1.714 4.181 ( -1.827 0.000 -1.469) 2.345 4.183 ( 0.797 0.000 -1.014) 1.290 4.240 ( 0.057 0.000 0.645) 0.647 4.255 ( 1.047 0.000 -0.794) 1.314 4.268 ( -0.133 0.000 1.137) 1.145 4.287 ( -0.032 0.000 2.265) 2.265 4.322 ( -1.914 0.000 -0.132) 1.919 4.330 ( -1.604 0.000 0.023) 1.604 4.389 ( 1.027 0.000 0.509) 1.146 4.389 ( -0.136 0.000 -0.101) 0.169 4.448 ( -0.835 0.000 -1.474) 1.694 4.451 ( -2.896 0.000 0.930) 3.042 4.494 ( -0.099 0.000 3.047) 3.049 4.573 ( -0.051 0.000 -3.020) 3.021 4.573 ( -5.094 0.000 -1.597) 5.339 4.610 ( -0.732 0.000 0.170) 0.751 4.652 ( 1.302 0.000 0.983) 1.631 4.671 ( 0.983 0.000 -1.152) 1.514 4.672 ( 0.962 0.000 -2.863) 3.021 4.680 ( -0.922 0.000 -1.580) 1.829 4.726 ( 0.812 0.000 -0.467) 0.936 4.727 ( -0.626 0.000 0.887) 1.086 4.729 ( 0.362 0.000 1.322) 1.370 4.780 ( -0.352 0.000 1.814) 1.848 4.827 ( 2.976 0.000 1.979) 3.574 4.910 ( -1.937 0.000 6.345) 6.634 4.910 ( -1.418 0.000 0.861) 1.659 4.947 ( -0.204 0.000 -1.210) 1.227 4.960 ( 6.555 0.000 8.938) 11.084 5.050 ( 1.104 0.000 -2.499) 2.732 5.093 ( 1.239 0.000 0.432) 1.312 5.124 ( 0.404 0.000 3.474) 3.498 5.171 ( 0.358 0.000 -2.794) 2.817 5.199 ( -1.201 0.000 -2.660) 2.919 5.226 ( -0.991 0.000 1.305) 1.639 5.317 ( 1.446 0.000 0.361) 1.491 5.338 ( 0.317 0.000 -3.375) 3.390 5.552 ( -0.380 0.000 -0.145) 0.407 5.596 ( -0.558 0.000 0.035) 0.559 5.652 ( 1.769 0.000 -0.222) 1.782 5.701 ( 0.728 0.000 0.160) 0.746 12.034 ( -1.403 0.000 2.246) 2.648 12.143 ( 0.622 0.000 0.511) 0.805 12.215 ( 0.071 0.000 -2.729) 2.730 12.309 ( 10.173 0.000 16.866) 19.696 14.765 ( -0.175 0.000 1.657) 1.667 14.842 ( -0.140 0.000 -5.325) 5.327 14.892 ( -2.457 0.000 -4.985) 5.558 14.980 ( 2.098 0.000 1.775) 2.749 15.480 ( -0.278 0.000 0.121) 0.303 15.482 ( -0.576 0.000 -0.792) 0.979 15.504 ( 0.055 0.000 -0.127) 0.138 15.516 ( 0.242 0.000 0.117) 0.268 16.486 ( -0.298 0.000 2.037) 2.059 16.508 ( -0.353 0.000 -2.065) 2.095 16.795 ( -3.977 0.000 -12.096) 12.733 16.810 ( 2.325 0.000 -0.454) 2.369 17.170 ( -0.260 0.000 -0.158) 0.305 17.189 ( 0.460 0.000 0.381) 0.598 17.200 ( -0.035 0.000 -0.220) 0.223 17.203 ( -0.374 0.000 -1.274) 1.328 34.250 ( 0.012 0.000 0.028) 0.031 34.255 ( -0.193 0.000 -0.002) 0.193 34.259 ( 0.223 0.000 -0.051) 0.229 34.266 ( -0.055 0.000 -0.037) 0.066======================= Grid point 27 (15/32) =======================q-point: ( 0.00 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 46Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.358 ( -2.333 11.266 8.203) 14.130 0.450 ( -0.616 10.009 11.574) 15.314 0.574 ( -2.184 -11.009 5.509) 12.502 0.634 ( -0.138 -7.690 6.158) 9.853 0.730 ( -0.478 7.727 15.176) 17.036 0.827 ( 0.452 2.461 -0.434) 2.540 0.847 ( 0.555 0.354 -2.690) 2.770 0.882 ( 0.325 -4.643 3.949) 6.104 0.949 ( 1.653 0.519 -1.697) 2.425 0.966 ( 1.769 -0.561 -1.123) 2.169 1.011 ( 0.551 1.895 3.792) 4.275 1.045 ( 0.092 1.580 1.384) 2.103 1.084 ( 0.970 0.623 1.702) 2.056 1.099 ( 0.749 -3.567 5.149) 6.309 1.195 ( -1.611 1.513 1.529) 2.687 1.209 ( 2.082 4.469 2.728) 5.634 1.264 ( -1.220 -3.435 0.625) 3.698 1.283 ( 0.556 -0.201 -4.750) 4.787 1.316 ( 0.670 -2.858 -3.343) 4.448 1.330 ( 0.097 -3.234 -2.530) 4.107 1.397 ( -2.768 0.975 -0.908) 3.072 1.421 ( -2.604 -0.063 -1.191) 2.864 1.463 ( 1.256 1.759 -3.987) 4.535 1.465 ( -1.718 1.472 -3.662) 4.304 1.487 ( 1.347 -1.081 0.208) 1.740 1.501 ( -0.397 -2.439 -0.568) 2.536 1.538 ( -2.245 0.172 -0.140) 2.256 1.544 ( -3.000 1.663 -3.029) 4.577 1.581 ( 0.116 0.563 -2.180) 2.255 1.607 ( -1.740 0.945 0.838) 2.150 1.626 ( -3.159 -1.724 4.425) 5.704 1.663 ( 0.494 -4.253 -2.390) 4.904 1.690 ( -0.507 3.681 -1.639) 4.061 1.750 ( -1.072 -2.039 -0.183) 2.311 1.758 ( 0.034 2.512 -0.138) 2.516 1.803 ( 0.298 -2.342 -3.875) 4.537 1.851 ( 0.741 1.272 0.345) 1.512 1.868 ( 1.038 0.186 0.383) 1.122 1.886 ( -0.159 1.136 0.073) 1.150 1.905 ( 1.257 0.531 0.248) 1.387 1.920 ( -1.293 -0.791 0.981) 1.806 1.934 ( 0.472 -0.593 -0.635) 0.989 1.952 ( -0.163 -1.018 1.143) 1.539 1.970 ( -1.439 -1.674 0.631) 2.296 2.009 ( -0.514 2.639 -1.154) 2.925 2.028 ( 2.035 0.443 -0.990) 2.306 2.061 ( 2.570 0.804 -1.250) 2.968 2.095 ( 0.169 -1.966 1.228) 2.324 2.128 ( -3.602 0.619 1.563) 3.975 2.149 ( -2.245 -0.329 1.399) 2.665 2.168 ( 0.175 0.554 2.605) 2.669 2.186 ( -1.172 0.377 1.741) 2.132 2.197 ( -0.851 -1.245 2.534) 2.949 2.208 ( -0.642 -1.036 0.102) 1.223 2.280 ( 1.183 1.625 2.473) 3.187 2.299 ( -0.193 0.542 0.567) 0.808 2.342 ( 1.446 2.817 1.093) 3.350 2.379 ( -1.424 2.574 3.608) 4.655 2.421 ( 1.590 -4.265 2.216) 5.063 2.453 ( -1.107 -4.447 2.670) 5.303 2.488 ( 1.364 1.457 -0.529) 2.065 2.530 ( 0.606 -2.179 0.912) 2.438 2.585 ( 2.064 0.752 -1.536) 2.680 2.590 ( 1.074 2.602 -0.713) 2.904 2.606 ( 0.621 -1.276 -0.450) 1.489 2.647 ( 1.734 -2.803 -0.132) 3.298 2.697 ( 0.689 2.248 -1.935) 3.045 2.725 ( 1.349 -0.876 -2.633) 3.085 2.756 ( -0.620 0.828 -1.376) 1.722 2.780 ( 0.187 -1.003 -3.339) 3.491 2.844 ( 1.347 1.858 -2.691) 3.537 2.870 ( 0.764 -0.129 -1.525) 1.710 2.891 ( -1.643 1.091 -0.610) 2.065 2.910 ( 0.178 1.399 -1.001) 1.729 2.919 ( -0.115 -1.159 -1.189) 1.665 2.943 ( 1.015 -0.156 -0.629) 1.205 2.962 ( 1.112 2.354 0.511) 2.653 2.998 ( 0.119 -1.494 -0.251) 1.519 3.046 ( -0.824 0.788 1.484) 1.872 3.100 ( -1.597 -1.434 1.948) 2.899 3.119 ( -0.833 -0.362 1.033) 1.376 3.138 ( -1.591 -0.911 1.454) 2.340 3.159 ( -1.030 1.300 -0.765) 1.826 3.178 ( -0.361 -0.617 -0.298) 0.774 3.197 ( 0.092 -0.434 0.119) 0.459 3.201 ( -0.688 -1.069 0.106) 1.276 3.256 ( 0.131 1.955 0.843) 2.133 3.265 ( 0.481 2.546 0.577) 2.654 3.291 ( 0.160 -1.373 0.138) 1.389 3.310 ( 0.273 -1.506 0.947) 1.800 3.375 ( -0.106 2.020 0.296) 2.044 3.392 ( 0.279 1.751 -1.688) 2.448 3.414 ( 0.534 -1.347 0.106) 1.453 3.425 ( 0.500 -1.045 -2.160) 2.451 3.444 ( -0.782 0.824 -1.601) 1.963 3.457 ( 0.658 -0.718 -0.466) 1.080 3.505 ( -0.580 0.183 -0.669) 0.905 3.528 ( 0.215 -1.897 0.733) 2.045 3.556 ( 3.060 1.022 -0.875) 3.343 3.573 ( 2.051 -0.795 0.239) 2.212 3.653 ( -0.839 0.880 -2.440) 2.726 3.669 ( 0.495 -0.858 -1.566) 1.853 3.707 ( -0.085 3.340 0.411) 3.366 3.750 ( -2.074 -0.577 -0.596) 2.234 3.765 ( -0.340 -0.578 -2.024) 2.132 3.773 ( 1.280 0.435 -0.089) 1.355 3.792 ( -0.420 -0.560 0.412) 0.812 3.802 ( 1.468 -1.557 0.188) 2.148 3.827 ( -0.166 -0.436 0.248) 0.528 3.843 ( -1.212 -1.527 0.693) 2.069 3.868 ( -1.889 1.840 -2.478) 3.618 3.882 ( -0.088 0.042 -0.528) 0.537 3.913 ( 0.205 0.491 0.867) 1.017 3.920 ( 0.095 1.053 -0.068) 1.060 3.947 ( -1.477 0.412 -0.459) 1.600 3.955 ( 1.129 0.857 -0.412) 1.476 3.968 ( 0.394 -0.804 -1.239) 1.529 3.974 ( 0.434 -0.770 0.921) 1.277 3.997 ( -1.582 0.224 0.423) 1.653 4.020 ( 1.333 1.057 0.502) 1.773 4.032 ( -0.330 -1.681 -1.266) 2.131 4.049 ( 0.895 -1.865 0.956) 2.279 4.090 ( -0.607 0.572 -0.507) 0.976 4.103 ( 0.521 0.177 -0.373) 0.665 4.133 ( -0.520 -0.236 2.016) 2.095 4.147 ( -0.234 -0.173 0.990) 1.032 4.170 ( 0.700 0.698 -0.226) 1.014 4.190 ( 0.943 -0.048 -1.340) 1.640 4.221 ( -1.090 1.622 -0.737) 2.088 4.238 ( -1.533 1.316 -1.709) 2.646 4.246 ( -0.299 -0.430 -1.089) 1.208 4.263 ( -1.315 -0.652 0.505) 1.552 4.285 ( -0.054 1.152 0.556) 1.281 4.304 ( -1.051 -0.584 1.321) 1.786 4.339 ( -0.747 1.767 0.446) 1.969 4.372 ( -0.195 -1.838 -0.224) 1.862 4.394 ( 0.828 1.304 2.171) 2.664 4.425 ( 0.420 -2.040 2.732) 3.435 4.450 ( -0.319 1.221 0.292) 1.295 4.475 ( -0.292 -1.369 1.325) 1.928 4.534 ( 0.338 0.284 0.904) 1.006 4.548 ( -0.002 -1.296 -0.789) 1.517 4.622 ( 0.458 2.578 0.328) 2.639 4.645 ( 0.166 1.372 -1.476) 2.022 4.657 ( 0.908 -0.762 -0.263) 1.214 4.663 ( 0.788 -0.462 -0.852) 1.249 4.700 ( 0.696 1.203 -0.437) 1.457 4.715 ( -0.270 -0.245 -0.109) 0.381 4.736 ( 0.577 0.579 1.085) 1.358 4.757 ( -0.415 -1.306 1.668) 2.159 4.788 ( -0.515 0.875 1.742) 2.016 4.823 ( -1.425 -2.704 1.296) 3.320 4.923 ( 0.889 1.623 1.643) 2.475 4.951 ( 1.685 -0.619 -0.979) 2.044 4.961 ( -4.248 2.431 4.569) 6.695 5.013 ( -6.746 -1.960 0.373) 7.035 5.068 ( 0.561 0.567 -1.400) 1.611 5.082 ( 0.605 -0.551 -2.061) 2.217 5.134 ( 0.622 1.675 -1.881) 2.595 5.136 ( 1.368 0.511 -2.487) 2.884 5.200 ( -1.888 -1.408 1.436) 2.759 5.237 ( 5.250 -2.788 1.071) 6.040 5.252 ( -1.745 -0.141 2.465) 3.024 5.297 ( 1.163 -3.157 -0.018) 3.364 5.574 ( 0.948 0.883 1.178) 1.751 5.590 ( 0.833 -0.730 0.943) 1.455 5.663 ( -0.701 0.774 -1.206) 1.595 5.679 ( -0.932 -0.936 -1.362) 1.898 12.037 ( -3.509 0.569 3.603) 5.062 12.083 ( -8.767 -5.276 5.350) 11.547 12.185 ( -0.685 1.101 0.619) 1.437 12.213 ( 2.202 -1.481 -0.154) 2.658 14.812 ( -1.577 3.122 -1.472) 3.795 14.861 ( 0.281 -2.423 -1.212) 2.723 14.982 ( 3.010 0.665 0.395) 3.108 14.997 ( 3.549 -0.555 0.193) 3.597 15.477 ( 0.033 0.091 0.009) 0.097 15.481 ( 0.154 -0.274 -0.115) 0.335 15.511 ( 0.161 0.360 0.073) 0.401 15.516 ( -0.001 -0.115 -0.045) 0.123 16.557 ( 2.080 4.227 0.015) 4.711 16.620 ( -3.967 1.446 -3.262) 5.336 16.726 ( 7.077 3.565 -6.170) 10.043 16.796 ( 0.160 -1.656 -5.631) 5.871 17.170 ( 0.069 0.230 -0.020) 0.241 17.176 ( -0.200 -0.429 -0.240) 0.531 17.204 ( 0.377 0.459 -0.406) 0.719 17.208 ( 0.060 0.053 -0.320) 0.330 34.253 ( 0.088 -0.002 0.123) 0.151 34.254 ( 0.110 -0.051 0.124) 0.174 34.262 ( 0.023 0.074 -0.126) 0.148 34.263 ( -0.042 -0.024 -0.149) 0.156======================= Grid point 28 (16/32) =======================q-point: ( 0.17 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.498 ( 5.608 2.009 8.818) 10.642 0.556 ( -0.271 -1.970 8.324) 8.559 0.681 ( 4.996 1.058 9.164) 10.491 0.735 ( 0.727 -1.814 6.092) 6.397 0.829 ( 2.546 2.294 -2.591) 4.296 0.854 ( 3.922 -0.965 2.472) 4.736 0.885 ( 0.988 1.704 6.325) 6.625 0.921 ( 0.876 -2.267 0.826) 2.567 0.986 ( 3.205 2.142 0.925) 3.965 1.016 ( 3.416 0.465 0.076) 3.448 1.052 ( 0.470 1.303 1.584) 2.105 1.072 ( -0.952 0.634 3.914) 4.078 1.095 ( -3.696 1.946 -2.976) 5.129 1.145 ( -5.237 -2.425 -3.501) 6.750 1.155 ( 0.928 0.000 4.059) 4.163 1.188 ( 1.840 -3.289 1.042) 3.910 1.236 ( -0.260 -1.206 -6.090) 6.214 1.259 ( -1.830 -2.682 -3.152) 4.525 1.303 ( -0.830 1.487 -3.094) 3.532 1.319 ( 0.605 1.272 -0.598) 1.530 1.348 ( -0.427 4.022 -0.055) 4.045 1.369 ( -1.271 0.498 0.894) 1.632 1.399 ( -1.366 -1.259 -1.726) 2.536 1.427 ( -2.716 -2.389 -1.262) 3.831 1.468 ( -1.207 2.890 -0.150) 3.136 1.476 ( -0.360 1.827 0.329) 1.891 1.494 ( -2.180 -0.966 -1.557) 2.848 1.523 ( 1.844 0.045 0.832) 2.023 1.576 ( -0.129 1.152 -0.996) 1.528 1.595 ( -2.343 -1.098 3.032) 3.986 1.620 ( -2.282 -1.150 2.870) 3.843 1.647 ( 2.068 -3.407 -1.533) 4.271 1.673 ( -1.460 1.609 0.960) 2.376 1.714 ( -2.810 -0.386 -0.331) 2.856 1.742 ( -1.220 -1.388 -0.891) 2.052 1.751 ( -2.129 -1.612 -2.009) 3.342 1.841 ( -2.998 2.624 0.986) 4.104 1.845 ( -3.236 1.423 1.230) 3.743 1.855 ( -1.916 0.854 -1.721) 2.713 1.905 ( -1.021 -2.731 -1.605) 3.328 1.910 ( -0.486 -1.153 1.473) 1.933 1.930 ( 0.636 -1.881 0.457) 2.037 1.947 ( -3.042 1.041 1.477) 3.538 1.976 ( 0.209 -0.617 -1.360) 1.508 1.994 ( -0.544 0.308 -0.191) 0.654 2.011 ( -1.802 -0.619 0.378) 1.942 2.084 ( -1.682 1.059 0.215) 1.999 2.096 ( 1.232 -0.011 -1.378) 1.848 2.102 ( -0.934 1.227 0.434) 1.602 2.119 ( -1.244 -0.693 1.203) 1.864 2.199 ( 1.206 1.703 1.956) 2.861 2.204 ( -0.250 1.092 2.229) 2.494 2.221 ( 0.540 -0.562 2.024) 2.169 2.228 ( 0.175 -1.621 2.016) 2.592 2.312 ( 1.439 0.547 0.978) 1.824 2.319 ( 1.660 -1.292 0.181) 2.111 2.384 ( 0.834 0.436 0.802) 1.237 2.419 ( 1.150 1.507 2.062) 2.801 2.455 ( 1.528 -2.427 0.786) 2.973 2.487 ( 0.372 -2.092 3.317) 3.939 2.534 ( 2.545 1.295 0.633) 2.925 2.564 ( 1.166 -0.092 0.625) 1.326 2.589 ( 0.939 0.633 -0.941) 1.472 2.603 ( 2.716 0.206 -2.730) 3.856 2.616 ( 0.781 1.580 -1.362) 2.227 2.659 ( 0.126 -2.346 -0.632) 2.432 2.693 ( 0.623 1.173 -1.662) 2.128 2.709 ( 2.175 0.380 -3.777) 4.375 2.720 ( -1.519 0.750 -3.391) 3.791 2.747 ( 1.550 -1.388 -1.940) 2.845 2.841 ( 1.448 0.808 -1.296) 2.105 2.861 ( 0.703 -0.950 -1.814) 2.164 2.885 ( 0.698 1.330 0.332) 1.538 2.909 ( -0.355 -1.021 1.151) 1.579 2.916 ( 1.403 1.872 -0.107) 2.342 2.954 ( 0.948 -1.158 -0.831) 1.711 2.974 ( -0.106 1.290 -0.666) 1.455 2.989 ( 0.213 0.203 -1.082) 1.121 3.052 ( -0.690 2.409 1.410) 2.875 3.092 ( -2.605 -0.823 3.214) 4.218 3.112 ( -0.666 0.283 0.238) 0.762 3.130 ( -0.592 -1.038 0.537) 1.310 3.153 ( 0.127 -0.912 0.796) 1.217 3.168 ( -0.326 -1.293 -0.558) 1.446 3.196 ( -0.235 0.492 0.652) 0.851 3.209 ( 0.463 -0.803 0.547) 1.077 3.257 ( -0.435 2.033 0.211) 2.090 3.284 ( 0.348 0.620 0.113) 0.720 3.295 ( 0.370 -0.594 -0.261) 0.747 3.332 ( 1.428 -2.314 -0.150) 2.723 3.362 ( -0.033 2.308 -1.708) 2.871 3.390 ( -0.144 -0.756 -2.344) 2.467 3.399 ( -0.447 1.099 1.425) 1.855 3.408 ( -0.552 0.276 0.052) 0.619 3.430 ( 0.681 0.529 -0.984) 1.308 3.454 ( 0.474 -2.107 -1.377) 2.561 3.498 ( 0.209 1.368 0.582) 1.501 3.543 ( 0.681 -2.528 0.733) 2.719 3.582 ( -0.295 0.193 -0.561) 0.663 3.585 ( -0.024 0.105 -1.014) 1.020 3.637 ( 1.252 1.927 0.200) 2.307 3.671 ( 0.361 -0.746 0.125) 0.838 3.696 ( -1.064 1.286 0.083) 1.671 3.709 ( -1.019 -1.372 -0.598) 1.811 3.748 ( -0.514 1.378 0.121) 1.476 3.772 ( -2.194 -0.382 0.314) 2.249 3.787 ( -1.240 -1.058 0.021) 1.631 3.800 ( -1.333 0.869 -2.867) 3.279 3.823 ( -1.414 -1.968 0.087) 2.425 3.830 ( -1.175 0.123 -1.326) 1.776 3.841 ( 0.771 -0.979 0.393) 1.307 3.850 ( -0.381 -1.270 0.105) 1.330 3.892 ( -2.116 0.774 -1.832) 2.903 3.904 ( -1.215 -0.022 -1.012) 1.582 3.935 ( 1.476 1.756 0.457) 2.339 3.953 ( 1.138 0.380 0.138) 1.208 3.966 ( 0.972 -0.146 -0.015) 0.983 3.987 ( 0.203 -1.021 -0.052) 1.043 4.010 ( 0.582 1.560 1.473) 2.223 4.038 ( -0.539 -1.018 0.760) 1.380 4.068 ( 1.603 0.705 1.654) 2.409 4.077 ( 1.878 0.110 -0.085) 1.884 4.083 ( 0.687 0.219 0.256) 0.765 4.092 ( -0.613 1.744 -1.605) 2.448 4.119 ( -0.288 -2.011 -0.966) 2.250 4.136 ( -0.785 -1.089 -3.707) 3.942 4.160 ( 0.220 0.942 0.951) 1.356 4.186 ( -0.510 -1.657 -0.174) 1.743 4.214 ( -1.242 1.448 -0.198) 1.918 4.222 ( 0.497 1.615 0.402) 1.737 4.234 ( -0.149 -1.012 0.888) 1.355 4.249 ( -0.966 -0.547 -0.030) 1.111 4.286 ( -1.118 1.484 1.859) 2.628 4.299 ( -1.572 0.233 1.675) 2.309 4.317 ( -1.831 2.153 -0.369) 2.851 4.358 ( -1.293 -1.812 -0.817) 2.372 4.440 ( -0.101 0.886 0.358) 0.961 4.458 ( 1.340 -0.792 1.338) 2.052 4.481 ( 2.891 0.477 0.746) 3.024 4.492 ( 2.207 -0.160 1.241) 2.537 4.521 ( -0.270 0.426 -0.518) 0.723 4.530 ( 0.931 -0.365 -2.454) 2.650 4.623 ( 0.207 0.644 0.359) 0.766 4.643 ( 0.355 -0.929 -0.768) 1.257 4.686 ( -0.347 1.361 1.984) 2.431 4.696 ( 0.372 0.375 -0.243) 0.582 4.710 ( 0.689 -0.200 0.444) 0.844 4.715 ( -0.638 -0.831 0.480) 1.152 4.757 ( -0.690 1.020 0.963) 1.563 4.777 ( 1.678 0.444 2.752) 3.254 4.797 ( -2.570 -1.283 0.804) 2.983 4.816 ( 0.937 -1.336 1.391) 2.145 4.890 ( -3.682 1.590 -0.487) 4.041 4.912 ( -2.765 0.030 -0.479) 2.807 4.964 ( -0.443 2.044 2.853) 3.538 4.996 ( 0.886 -0.797 2.277) 2.570 5.049 ( -0.196 -0.490 -2.596) 2.649 5.067 ( 0.664 -1.590 -2.751) 3.246 5.108 ( -1.022 1.128 -0.361) 1.565 5.132 ( -0.811 -1.312 -0.683) 1.686 5.200 ( 0.293 2.819 1.042) 3.019 5.244 ( -1.944 0.447 0.796) 2.148 5.284 ( 0.758 -0.299 -0.391) 0.904 5.339 ( 3.436 -4.536 -0.661) 5.729 5.596 ( -0.408 0.414 0.588) 0.827 5.605 ( -1.629 -0.501 -0.794) 1.880 5.645 ( 1.494 0.256 0.545) 1.611 5.650 ( 0.057 -0.178 -0.890) 0.910 11.998 ( -5.274 1.025 3.691) 6.518 12.033 ( -3.035 -2.889 2.999) 5.153 12.194 ( 0.931 4.161 0.454) 4.288 12.260 ( 2.448 -2.929 0.979) 3.941 14.769 ( -2.682 2.564 -0.025) 3.710 14.828 ( -2.358 -3.954 -0.994) 4.710 14.987 ( -0.001 4.194 -0.685) 4.250 15.053 ( 2.021 -3.080 -0.993) 3.815 15.479 ( 0.222 0.152 0.005) 0.269 15.484 ( 0.316 -0.427 -0.069) 0.536 15.510 ( -0.354 0.263 -0.102) 0.453 15.514 ( -0.039 -0.178 -0.069) 0.195 16.526 ( -3.428 6.753 -1.617) 7.744 16.599 ( 1.507 -0.107 0.616) 1.631 16.708 ( -0.881 0.747 -4.101) 4.260 16.775 ( 3.682 -5.048 -4.246) 7.554 17.170 ( -0.108 0.211 -0.145) 0.278 17.174 ( 0.311 -0.176 0.053) 0.362 17.202 ( -0.300 0.182 -0.287) 0.454 17.207 ( 0.242 -0.349 -0.217) 0.477 34.256 ( 0.096 0.056 0.099) 0.148 34.257 ( 0.119 -0.073 0.097) 0.170 34.260 ( -0.109 0.120 -0.127) 0.205 34.262 ( 0.012 -0.079 -0.151) 0.171======================= Grid point 29 (17/32) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 46Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.654 ( 3.641 0.874 3.615) 5.205 0.672 ( 2.561 -1.409 6.541) 7.164 0.760 ( 2.920 5.673 -2.431) 6.828 0.832 ( 6.032 0.466 1.807) 6.314 0.885 ( 0.690 0.738 -1.073) 1.474 0.897 ( -3.830 1.473 -0.049) 4.104 0.910 ( -0.975 -0.743 0.266) 1.255 0.940 ( -0.400 0.750 -1.007) 1.317 0.956 ( -1.639 -2.906 -1.922) 3.850 0.989 ( -2.374 -2.589 -3.626) 5.049 1.066 ( -1.338 1.322 3.945) 4.370 1.076 ( -2.916 -0.958 2.923) 4.239 1.111 ( 2.344 0.752 -0.125) 2.465 1.136 ( 4.374 -0.407 -2.264) 4.943 1.172 ( 2.345 0.176 3.380) 4.118 1.194 ( -2.118 -1.477 1.062) 2.792 1.231 ( 1.262 -0.379 -0.460) 1.395 1.240 ( 2.173 0.052 0.650) 2.269 1.241 ( 0.847 1.070 -1.226) 1.835 1.295 ( 0.210 -2.352 -2.638) 3.540 1.333 ( -1.165 2.266 1.264) 2.845 1.343 ( -3.155 0.135 -1.991) 3.733 1.357 ( -1.739 -0.911 1.530) 2.489 1.401 ( -4.560 -0.785 -1.538) 4.876 1.417 ( -0.245 -1.583 0.074) 1.603 1.437 ( -0.987 -1.908 2.233) 3.099 1.537 ( 0.462 2.247 -1.080) 2.536 1.544 ( -0.557 1.218 -1.014) 1.680 1.565 ( 0.670 3.123 1.185) 3.407 1.585 ( -2.696 -1.114 0.339) 2.937 1.608 ( -1.315 1.201 2.565) 3.122 1.634 ( -2.037 -0.241 -1.675) 2.648 1.668 ( -2.051 0.794 3.560) 4.184 1.696 ( -0.401 0.565 3.496) 3.564 1.715 ( -0.201 -0.613 1.826) 1.937 1.737 ( -1.417 -1.207 2.952) 3.490 1.799 ( -1.651 0.712 -1.331) 2.237 1.808 ( -1.012 1.248 -1.249) 2.035 1.831 ( -0.879 0.189 1.828) 2.037 1.871 ( -0.547 -2.632 -2.396) 3.601 1.903 ( -1.321 0.087 -2.068) 2.455 1.920 ( 0.168 0.810 0.432) 0.933 1.937 ( -0.594 -3.386 -1.383) 3.706 1.968 ( 0.565 -0.758 0.282) 0.986 1.981 ( -1.349 -1.325 3.729) 4.181 2.014 ( -0.495 -2.296 2.162) 3.192 2.058 ( -2.329 0.726 2.428) 3.442 2.065 ( -2.072 1.376 1.103) 2.721 2.108 ( 0.676 0.920 -0.535) 1.261 2.142 ( 0.558 -0.835 0.566) 1.153 2.183 ( -1.974 1.951 -0.232) 2.785 2.229 ( -1.558 -2.619 0.705) 3.128 2.250 ( 0.075 0.845 1.386) 1.625 2.264 ( 2.588 1.676 0.807) 3.187 2.333 ( 1.270 -1.215 -1.859) 2.559 2.354 ( 2.294 -0.796 0.130) 2.432 2.403 ( -0.444 0.733 -0.022) 0.857 2.423 ( -0.386 0.021 1.119) 1.184 2.488 ( -0.090 -1.081 0.624) 1.251 2.514 ( -0.244 -2.447 0.997) 2.653 2.545 ( 0.454 3.583 -1.724) 4.002 2.567 ( 1.135 3.181 -3.880) 5.144 2.594 ( 1.390 -1.785 -1.495) 2.712 2.608 ( 2.456 -0.341 -1.869) 3.105 2.630 ( 0.968 -0.369 -0.735) 1.271 2.642 ( 0.772 -1.580 -2.392) 2.969 2.672 ( 0.631 1.968 -2.008) 2.882 2.689 ( 0.879 0.510 -1.188) 1.564 2.728 ( 1.719 0.788 -1.369) 2.334 2.760 ( 2.263 -1.794 -2.001) 3.513 2.854 ( 0.880 0.212 -0.969) 1.326 2.860 ( 1.055 -0.508 -1.055) 1.576 2.894 ( 0.443 1.626 -0.425) 1.738 2.920 ( -1.074 -0.928 1.668) 2.190 2.933 ( 0.131 1.589 -0.627) 1.713 2.955 ( 0.898 -0.340 -0.926) 1.334 2.977 ( 0.530 1.239 -0.894) 1.617 2.985 ( 2.061 0.864 -0.730) 2.351 3.051 ( -0.822 1.886 1.545) 2.573 3.089 ( -2.270 -1.644 2.702) 3.893 3.110 ( 0.109 0.724 0.418) 0.843 3.131 ( -0.596 -0.264 1.747) 1.865 3.155 ( -0.701 -1.061 -0.128) 1.278 3.166 ( -0.204 -1.872 0.622) 1.983 3.195 ( -0.744 1.073 1.309) 1.849 3.215 ( -0.407 -1.058 0.273) 1.166 3.256 ( 0.063 1.227 0.195) 1.244 3.281 ( -0.165 -1.469 -0.133) 1.484 3.303 ( 1.769 1.187 -0.993) 2.350 3.318 ( -0.399 0.192 -2.078) 2.125 3.353 ( -0.020 -0.274 -1.677) 1.700 3.363 ( 1.119 -1.107 -1.182) 1.968 3.420 ( -0.047 1.211 1.804) 2.174 3.423 ( 0.634 0.845 1.592) 1.911 3.443 ( 1.081 0.059 -0.300) 1.123 3.466 ( 2.321 -2.217 -0.357) 3.230 3.517 ( 0.844 1.353 -0.132) 1.600 3.547 ( -1.476 0.807 -1.451) 2.221 3.561 ( 0.195 -0.922 -1.113) 1.458 3.577 ( -0.681 -2.569 0.274) 2.672 3.642 ( -1.480 2.171 -0.905) 2.779 3.657 ( -1.833 0.170 -0.540) 1.918 3.678 ( -1.409 -0.407 -0.629) 1.596 3.697 ( -0.092 -0.396 0.934) 1.018 3.708 ( -0.890 -0.367 -0.714) 1.199 3.731 ( -0.040 -1.346 -0.535) 1.449 3.761 ( 0.451 1.424 -0.965) 1.779 3.788 ( -0.760 -0.030 1.364) 1.562 3.807 ( -0.234 -1.014 0.538) 1.172 3.819 ( -0.541 -1.328 0.215) 1.450 3.839 ( -1.412 0.459 0.070) 1.486 3.849 ( -0.868 -0.485 0.494) 1.110 3.878 ( 0.544 0.356 1.432) 1.573 3.888 ( -0.001 -0.730 0.767) 1.059 3.960 ( 0.479 2.465 -0.364) 2.537 3.965 ( 0.383 2.148 0.175) 2.189 3.980 ( 0.652 -0.671 -0.833) 1.253 3.996 ( 0.668 -0.506 0.546) 1.000 4.025 ( 0.623 2.037 0.517) 2.192 4.036 ( -0.348 0.222 -0.966) 1.050 4.049 ( -1.319 0.492 -1.256) 1.887 4.065 ( -0.902 -1.263 -1.017) 1.856 4.104 ( 1.030 1.143 -0.061) 1.540 4.108 ( 0.977 0.119 -0.057) 0.986 4.115 ( 1.490 -2.020 -0.166) 2.516 4.121 ( 0.569 -1.489 -0.630) 1.714 4.177 ( -0.565 1.549 -0.172) 1.658 4.191 ( 0.485 -0.645 1.106) 1.369 4.201 ( -0.615 -0.384 0.833) 1.104 4.222 ( -0.610 1.774 0.176) 1.884 4.228 ( -1.073 -1.885 1.717) 2.766 4.248 ( -0.027 -0.187 0.687) 0.712 4.273 ( -0.941 1.924 -0.182) 2.149 4.287 ( -1.821 0.997 2.523) 3.267 4.305 ( -0.851 -0.110 2.029) 2.202 4.326 ( -0.791 -2.338 -0.505) 2.519 4.433 ( -1.235 1.888 0.579) 2.329 4.464 ( -0.416 -1.108 0.041) 1.184 4.504 ( 0.676 1.751 -0.719) 2.009 4.537 ( 3.304 -1.105 -1.576) 3.823 4.560 ( 2.704 1.083 1.465) 3.261 4.578 ( 3.249 -1.210 2.266) 4.142 4.627 ( -0.147 -0.495 -0.979) 1.107 4.641 ( 0.318 -1.317 -0.695) 1.522 4.673 ( -2.098 0.612 -0.407) 2.223 4.679 ( -1.236 0.619 -0.766) 1.580 4.698 ( -1.223 -0.342 -0.207) 1.286 4.711 ( -2.744 -1.676 -0.330) 3.232 4.743 ( 0.170 0.476 0.484) 0.700 4.756 ( -0.584 -0.664 0.826) 1.209 4.824 ( 0.225 1.956 0.293) 1.990 4.840 ( -1.402 0.021 -0.250) 1.425 4.846 ( -1.809 1.485 0.397) 2.374 4.895 ( 2.312 -2.060 0.320) 3.114 4.989 ( -0.276 2.697 1.906) 3.314 5.010 ( -0.500 1.059 -2.581) 2.834 5.044 ( 0.731 -1.952 1.314) 2.464 5.049 ( 0.165 -1.114 0.650) 1.300 5.097 ( -1.135 0.182 1.464) 1.861 5.111 ( -0.924 -1.126 -0.362) 1.501 5.212 ( -0.363 2.233 0.759) 2.386 5.220 ( -0.402 0.413 0.131) 0.591 5.277 ( -0.146 3.148 -1.413) 3.453 5.373 ( 2.461 -5.467 -1.993) 6.318 5.563 ( -1.228 0.702 -0.634) 1.550 5.581 ( -0.945 -1.305 -0.101) 1.615 5.655 ( 0.513 1.877 -0.120) 1.950 5.683 ( 1.118 -1.152 0.285) 1.630 11.970 ( -3.006 2.077 3.451) 5.027 12.023 ( -1.805 -3.842 2.291) 4.823 12.211 ( 0.414 5.461 0.067) 5.477 12.299 ( 0.657 -3.987 0.708) 4.103 14.729 ( -2.064 2.229 0.446) 3.070 14.783 ( -1.591 -3.831 -0.231) 4.155 14.976 ( 0.213 5.125 -1.548) 5.358 15.054 ( 0.174 -3.271 -1.587) 3.640 15.485 ( 0.410 0.211 0.025) 0.462 15.488 ( 0.195 -0.122 -0.011) 0.230 15.502 ( -0.428 0.397 -0.057) 0.587 15.512 ( -0.134 -0.635 -0.061) 0.652 16.475 ( -1.476 6.252 -0.066) 6.424 16.592 ( -1.088 -5.730 -0.390) 5.845 16.698 ( 2.126 4.397 -1.549) 5.124 16.781 ( 1.689 -4.185 -1.985) 4.930 17.169 ( 0.088 0.394 0.020) 0.404 17.179 ( 0.113 -0.598 0.010) 0.609 17.197 ( 0.040 0.438 -0.031) 0.441 17.205 ( -0.107 -0.464 -0.224) 0.526 34.256 ( -0.027 0.129 -0.112) 0.173 34.258 ( -0.009 0.032 -0.028) 0.043 34.260 ( 0.053 -0.036 0.061) 0.088 34.261 ( 0.049 -0.099 -0.046) 0.119======================= Grid point 30 (18/32) =======================q-point: (-0.50 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.691 ( -1.481 2.263 -3.940) 4.779 0.720 ( -0.220 -0.822 -3.938) 4.029 0.771 ( 0.358 4.210 -2.490) 4.904 0.782 ( -10.035 1.494 2.225) 10.386 0.817 ( -2.824 -0.246 -0.305) 2.851 0.851 ( -5.236 0.644 -0.453) 5.295 0.862 ( -6.457 -0.937 -0.206) 6.528 0.900 ( -0.678 -5.633 -3.250) 6.539 0.975 ( 6.402 0.406 -0.628) 6.445 0.989 ( 0.602 -1.670 0.147) 1.781 1.010 ( 1.087 2.343 -0.815) 2.709 1.044 ( -0.700 -0.351 -1.491) 1.685 1.133 ( 0.181 1.623 -0.035) 1.633 1.157 ( -5.489 3.513 2.081) 6.841 1.168 ( 2.873 -0.527 -3.114) 4.270 1.192 ( -0.835 -1.271 -1.123) 1.891 1.242 ( 0.988 1.705 -1.367) 2.398 1.272 ( 0.844 -1.006 -1.739) 2.179 1.312 ( 1.944 0.476 1.521) 2.514 1.315 ( 3.510 0.377 2.786) 4.497 1.334 ( 0.137 -0.421 2.519) 2.558 1.354 ( 1.872 -2.042 1.427) 3.116 1.360 ( 0.801 0.302 4.784) 4.860 1.390 ( -0.079 -2.170 2.009) 2.959 1.443 ( 1.235 0.318 4.072) 4.267 1.469 ( -0.727 -1.632 3.511) 3.940 1.512 ( -0.165 -0.285 -1.088) 1.137 1.534 ( 1.198 0.663 -0.513) 1.463 1.543 ( -1.514 -0.597 0.150) 1.635 1.564 ( -0.132 1.637 -0.481) 1.711 1.603 ( -1.064 -0.608 1.577) 1.997 1.615 ( -0.629 0.372 0.375) 0.821 1.672 ( -1.674 -0.217 2.805) 3.274 1.698 ( -1.446 -0.728 0.808) 1.810 1.728 ( -2.437 1.948 3.444) 4.647 1.760 ( -1.688 -1.518 2.748) 3.565 1.777 ( 1.950 2.767 -2.075) 3.970 1.795 ( 0.669 1.920 -0.572) 2.113 1.838 ( 0.274 -0.373 -2.258) 2.305 1.858 ( 2.571 -2.204 -0.775) 3.474 1.879 ( 0.599 -1.729 0.314) 1.857 1.915 ( -0.272 -4.732 -0.225) 4.745 1.934 ( -0.146 3.083 2.044) 3.702 1.983 ( -0.110 1.379 0.492) 1.468 2.008 ( -0.184 -3.272 2.842) 4.338 2.025 ( -0.169 -1.849 1.107) 2.162 2.052 ( -1.816 2.942 1.817) 3.906 2.061 ( -1.635 1.005 1.900) 2.701 2.114 ( -0.055 0.190 0.882) 0.904 2.138 ( -0.732 -0.168 -0.094) 0.757 2.167 ( -0.719 -1.018 1.830) 2.214 2.196 ( -0.748 -3.368 -2.341) 4.169 2.254 ( -0.969 1.768 0.690) 2.131 2.281 ( -0.846 -0.063 -0.532) 1.001 2.330 ( 0.561 2.123 -1.593) 2.713 2.365 ( -0.857 2.258 -1.119) 2.662 2.385 ( 0.367 -1.533 -0.297) 1.604 2.433 ( -0.800 -2.505 0.191) 2.637 2.474 ( -1.869 -0.275 0.316) 1.916 2.487 ( -2.066 1.918 -2.599) 3.834 2.530 ( 2.603 1.685 -2.761) 4.152 2.571 ( 1.409 -0.190 -1.359) 1.967 2.596 ( 1.697 -1.137 -2.046) 2.891 2.616 ( 1.970 -0.589 -3.479) 4.041 2.629 ( 0.986 0.736 -0.536) 1.342 2.646 ( -0.954 0.091 -0.066) 0.960 2.663 ( 1.931 0.245 -2.064) 2.837 2.691 ( 0.155 -1.471 -1.615) 2.190 2.736 ( 1.619 1.786 -0.885) 2.568 2.768 ( 1.816 -0.972 -2.662) 3.366 2.848 ( 0.355 0.501 -1.636) 1.747 2.858 ( 0.101 -0.344 -0.735) 0.818 2.891 ( -0.367 0.712 0.045) 0.803 2.906 ( -0.626 0.014 -0.382) 0.734 2.928 ( 0.105 0.604 -0.408) 0.736 2.954 ( 1.400 -1.471 -2.585) 3.287 2.986 ( -0.477 2.777 1.741) 3.312 3.013 ( 0.709 1.197 1.276) 1.888 3.059 ( -1.212 -0.726 2.164) 2.584 3.070 ( -2.109 -1.089 0.710) 2.477 3.123 ( -0.385 1.079 1.484) 1.875 3.138 ( -0.404 0.292 1.174) 1.275 3.153 ( 0.097 -0.210 0.497) 0.548 3.158 ( -0.510 -1.214 0.598) 1.446 3.213 ( 0.589 -0.026 1.024) 1.182 3.218 ( 0.223 -0.525 0.254) 0.624 3.255 ( 0.062 1.563 -0.317) 1.596 3.282 ( -0.125 -0.725 0.080) 0.740 3.310 ( 1.668 -0.291 -0.665) 1.819 3.316 ( 0.678 0.051 -1.211) 1.389 3.353 ( 1.594 1.417 -0.589) 2.212 3.380 ( 0.991 -0.770 0.343) 1.301 3.413 ( -2.529 0.904 0.159) 2.691 3.437 ( -0.804 -0.727 -1.786) 2.090 3.453 ( 0.478 0.010 0.523) 0.709 3.467 ( -1.221 0.140 -1.897) 2.260 3.491 ( -0.407 -0.257 -2.364) 2.413 3.495 ( 0.143 -1.122 -2.167) 2.445 3.545 ( 0.716 0.012 -1.825) 1.961 3.564 ( 0.216 -1.902 -0.088) 1.916 3.641 ( 0.998 1.228 0.627) 1.702 3.659 ( 1.131 -0.833 0.725) 1.581 3.672 ( 0.130 1.537 0.554) 1.639 3.701 ( -0.385 -0.497 0.380) 0.734 3.717 ( 0.755 1.255 -1.449) 2.060 3.749 ( 0.392 -2.781 0.066) 2.809 3.758 ( 0.394 0.907 2.090) 2.312 3.787 ( -0.576 -1.781 1.366) 2.317 3.807 ( 0.038 0.449 0.886) 0.993 3.823 ( 0.664 -1.161 0.420) 1.402 3.836 ( -0.262 0.360 1.944) 1.995 3.852 ( 0.798 -0.938 1.794) 2.176 3.906 ( 0.064 0.718 0.856) 1.119 3.914 ( 0.702 1.003 1.926) 2.282 3.950 ( -0.994 1.665 -1.050) 2.206 3.961 ( 0.213 1.593 0.222) 1.622 3.970 ( -0.117 -0.727 -2.540) 2.644 3.996 ( -0.511 -1.670 0.208) 1.759 4.026 ( -0.079 1.104 0.990) 1.485 4.037 ( -0.188 -0.481 0.673) 0.848 4.041 ( 0.843 0.800 -0.932) 1.490 4.061 ( 0.635 0.114 -0.589) 0.874 4.094 ( -0.202 0.380 -1.332) 1.400 4.108 ( 0.490 -0.939 -1.446) 1.792 4.127 ( -0.222 0.428 0.546) 0.729 4.151 ( 0.888 -1.836 2.152) 2.965 4.169 ( 0.933 1.631 -1.067) 2.161 4.188 ( -1.038 -0.131 0.046) 1.048 4.193 ( -1.096 1.258 0.203) 1.681 4.207 ( -0.365 -0.690 0.798) 1.117 4.233 ( -0.400 -0.197 0.825) 0.938 4.239 ( -1.088 -0.152 0.189) 1.114 4.299 ( -1.091 0.689 2.707) 2.998 4.302 ( -1.418 0.029 1.377) 1.977 4.322 ( 2.203 0.247 2.559) 3.386 4.336 ( 0.876 -0.972 1.958) 2.355 4.423 ( -0.577 1.632 0.651) 1.849 4.453 ( -0.195 -1.571 -0.263) 1.605 4.513 ( 0.708 3.101 -0.258) 3.191 4.564 ( -1.133 -1.744 -1.706) 2.690 4.586 ( -0.546 0.273 -0.032) 0.611 4.596 ( -0.201 -0.144 -1.025) 1.054 4.619 ( 1.153 0.043 0.603) 1.302 4.639 ( 0.358 -0.951 -0.131) 1.025 4.644 ( -1.510 -0.272 -0.862) 1.760 4.654 ( -1.596 -1.074 -0.359) 1.957 4.676 ( 1.363 0.515 -0.169) 1.467 4.695 ( 1.538 -1.649 0.626) 2.340 4.745 ( -0.241 0.450 -0.997) 1.120 4.752 ( -0.004 -0.202 -1.190) 1.207 4.798 ( -1.649 0.195 -0.598) 1.765 4.800 ( -1.491 -0.024 -0.641) 1.623 4.850 ( -1.283 3.882 1.512) 4.359 4.918 ( -1.082 -3.154 -1.002) 3.481 4.981 ( -0.148 1.921 -0.764) 2.072 4.992 ( -0.849 0.693 0.879) 1.405 5.052 ( 0.462 0.720 0.454) 0.969 5.086 ( 1.025 -2.626 2.431) 3.722 5.099 ( -0.146 0.459 0.932) 1.049 5.112 ( 0.671 -0.693 1.104) 1.466 5.220 ( 0.555 1.133 0.929) 1.567 5.228 ( -0.261 0.792 1.407) 1.635 5.258 ( 0.470 4.321 -2.548) 5.039 5.372 ( 0.636 -6.168 -3.114) 6.939 5.563 ( 1.141 0.630 0.758) 1.507 5.577 ( 0.198 -0.793 0.414) 0.916 5.653 ( 0.006 1.584 -0.545) 1.675 5.679 ( -0.915 -1.123 -1.089) 1.812 11.975 ( -1.671 1.915 4.439) 5.115 12.025 ( -1.330 -3.632 2.757) 4.750 12.204 ( -0.624 5.302 -0.968) 5.426 12.289 ( -1.391 -3.889 -1.173) 4.293 14.725 ( 0.363 2.280 1.586) 2.801 14.780 ( 0.739 -3.711 0.894) 3.888 14.959 ( 0.437 4.788 -2.377) 5.364 15.031 ( 0.241 -3.020 -2.925) 4.211 15.489 ( -0.073 0.053 -0.015) 0.091 15.490 ( -0.043 0.015 -0.009) 0.047 15.499 ( 0.206 0.473 0.149) 0.537 15.510 ( 0.028 -0.675 -0.095) 0.682 16.478 ( 0.774 6.061 1.438) 6.277 16.589 ( 0.451 -5.326 0.151) 5.347 16.707 ( 1.318 4.645 -1.172) 4.969 16.798 ( 2.248 -4.709 -1.094) 5.331 17.172 ( 0.060 0.369 0.169) 0.410 17.181 ( 0.064 -0.549 0.133) 0.568 17.197 ( -0.083 0.279 -0.105) 0.309 17.203 ( 0.329 -0.398 -0.177) 0.546 34.256 ( 0.056 0.122 -0.080) 0.156 34.256 ( -0.036 0.071 -0.094) 0.123 34.261 ( -0.043 -0.030 0.033) 0.062 34.262 ( 0.100 -0.121 0.003) 0.157======================= Grid point 31 (19/32) =======================q-point: (-0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 46Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.497 ( -11.344 3.288 -5.952) 13.226 0.581 ( -8.836 1.193 -0.546) 8.933 0.620 ( -9.915 -4.325 2.754) 11.162 0.685 ( -6.791 -5.689 -0.440) 8.871 0.785 ( -3.543 3.916 -1.005) 5.376 0.815 ( -0.713 1.153 1.915) 2.346 0.836 ( 1.658 1.752 -1.867) 3.050 0.877 ( 0.243 -1.717 -2.594) 3.120 0.959 ( -2.153 3.495 2.729) 4.929 1.008 ( -2.637 2.438 0.356) 3.609 1.043 ( 1.905 0.033 -2.225) 2.929 1.051 ( 0.270 -1.290 -0.824) 1.554 1.080 ( -4.013 4.334 1.108) 6.010 1.129 ( 2.401 2.288 -3.388) 4.741 1.187 ( 0.392 -4.126 -1.411) 4.379 1.197 ( 1.044 -1.999 -0.728) 2.370 1.262 ( 1.501 1.199 2.653) 3.276 1.286 ( 2.836 -0.938 -0.507) 3.030 1.309 ( -2.827 3.021 1.328) 4.345 1.342 ( -1.903 -0.086 3.008) 3.561 1.367 ( 0.871 -0.441 -0.782) 1.250 1.393 ( -1.125 -2.245 0.352) 2.536 1.421 ( 3.252 -0.479 2.656) 4.227 1.450 ( 4.195 -2.694 3.698) 6.207 1.475 ( 0.823 0.186 -0.696) 1.093 1.491 ( 0.726 -1.167 0.027) 1.374 1.519 ( 0.370 2.019 0.668) 2.159 1.532 ( 0.919 0.008 1.678) 1.913 1.561 ( 0.948 -1.188 -0.857) 1.745 1.574 ( 0.516 -2.634 2.556) 3.706 1.640 ( 2.574 2.629 1.479) 3.965 1.648 ( 1.410 2.439 1.185) 3.056 1.681 ( -2.124 -0.307 1.765) 2.779 1.699 ( 1.819 -3.315 1.101) 3.938 1.726 ( 0.237 1.460 0.655) 1.617 1.765 ( 0.268 -3.056 1.783) 3.548 1.788 ( 1.321 1.690 -0.137) 2.149 1.818 ( 2.709 -0.420 -0.313) 2.759 1.844 ( 2.442 1.186 -1.293) 3.007 1.882 ( -0.203 -2.441 1.185) 2.721 1.907 ( 0.101 -0.087 1.025) 1.033 1.921 ( 2.420 -2.247 0.049) 3.303 1.965 ( 1.074 3.493 0.430) 3.680 1.979 ( -0.656 2.859 0.540) 2.982 2.018 ( -1.007 -1.640 -0.222) 1.938 2.019 ( -0.964 1.433 -0.424) 1.778 2.048 ( 0.423 -2.124 1.192) 2.473 2.058 ( -0.791 -0.717 0.587) 1.218 2.111 ( -0.618 -1.113 -0.583) 1.400 2.131 ( -0.664 -1.543 2.434) 2.958 2.172 ( -0.668 0.793 0.989) 1.433 2.189 ( -0.774 -0.683 2.352) 2.568 2.231 ( -1.667 1.170 -0.644) 2.136 2.247 ( -2.294 -0.546 -0.182) 2.365 2.305 ( -2.029 3.659 0.030) 4.184 2.333 ( -1.491 2.737 -2.474) 3.979 2.372 ( -0.696 -0.820 -1.007) 1.474 2.408 ( -1.360 -2.544 0.334) 2.903 2.432 ( -2.986 1.270 0.223) 3.253 2.462 ( -0.208 -1.005 0.286) 1.066 2.520 ( -0.808 0.169 -2.396) 2.534 2.560 ( 1.023 -2.265 -3.148) 4.011 2.587 ( 1.801 1.654 -3.937) 4.634 2.610 ( -1.435 0.268 -0.465) 1.532 2.620 ( -0.159 -1.297 -1.590) 2.058 2.631 ( -0.675 -1.668 -1.436) 2.302 2.676 ( 2.774 0.905 -1.610) 3.333 2.701 ( 2.761 -1.407 -0.118) 3.101 2.754 ( 1.536 1.805 -0.523) 2.427 2.773 ( 1.549 0.289 -1.092) 1.917 2.844 ( 1.181 1.299 -1.116) 2.080 2.853 ( 0.441 0.161 -0.752) 0.887 2.888 ( 0.149 0.116 0.051) 0.196 2.906 ( 0.272 -1.068 0.604) 1.257 2.929 ( 0.872 1.130 -0.684) 1.583 2.948 ( 1.173 -1.118 -2.351) 2.855 2.990 ( -1.555 1.796 1.795) 2.978 3.009 ( -2.434 0.581 0.399) 2.534 3.056 ( -1.629 -0.735 1.819) 2.550 3.063 ( 0.107 -0.076 1.406) 1.412 3.119 ( -0.862 0.845 0.636) 1.364 3.146 ( -0.838 -1.266 0.636) 1.646 3.157 ( 0.524 1.444 1.222) 1.963 3.179 ( 0.401 -0.959 1.508) 1.832 3.216 ( -0.561 -0.038 -0.130) 0.577 3.230 ( -0.143 -0.854 0.540) 1.020 3.250 ( 0.030 1.886 -0.816) 2.055 3.272 ( -0.373 1.106 -1.711) 2.071 3.289 ( -0.914 0.924 -0.284) 1.330 3.328 ( 0.224 -2.709 -1.221) 2.980 3.369 ( 0.178 0.254 0.128) 0.335 3.375 ( -0.850 -0.498 -0.283) 1.025 3.398 ( 1.858 1.711 0.275) 2.541 3.429 ( 1.020 -1.163 1.014) 1.850 3.443 ( 1.106 0.426 -1.820) 2.172 3.456 ( -0.376 -1.085 -2.962) 3.177 3.479 ( 1.455 0.477 0.138) 1.537 3.498 ( 1.235 -1.336 -0.005) 1.819 3.543 ( 1.596 1.270 -2.327) 3.094 3.568 ( 1.344 -0.998 -2.578) 3.074 3.664 ( -0.598 0.992 -0.320) 1.201 3.671 ( 1.464 0.403 0.558) 1.618 3.678 ( 0.075 0.086 0.352) 0.370 3.700 ( 0.220 -0.719 0.837) 1.125 3.722 ( 1.404 -0.058 -0.439) 1.472 3.749 ( 1.520 -1.558 -0.764) 2.307 3.790 ( -0.063 -0.197 2.281) 2.290 3.815 ( 0.160 -2.192 2.148) 3.073 3.829 ( 0.349 0.150 2.037) 2.072 3.841 ( 0.786 -0.583 0.613) 1.155 3.871 ( 0.586 1.416 1.166) 1.926 3.894 ( 0.179 1.767 -1.638) 2.416 3.898 ( 0.409 -0.554 0.796) 1.053 3.926 ( 0.116 1.145 1.148) 1.625 3.933 ( 0.245 -1.916 -1.566) 2.487 3.938 ( -0.520 0.211 1.126) 1.258 3.983 ( 0.344 0.252 1.133) 1.211 3.993 ( -0.534 0.169 -0.765) 0.948 4.014 ( -1.029 0.341 0.341) 1.137 4.028 ( -1.013 -0.974 -1.223) 1.863 4.046 ( 0.192 1.271 0.467) 1.368 4.066 ( -1.894 -0.410 -0.777) 2.088 4.077 ( 0.892 -0.530 0.766) 1.290 4.089 ( -0.248 -1.552 -1.967) 2.518 4.128 ( 0.080 2.268 0.804) 2.408 4.161 ( -0.269 -0.753 -1.638) 1.822 4.175 ( 0.284 0.392 -1.275) 1.363 4.188 ( -1.143 0.260 1.347) 1.786 4.197 ( 1.908 1.085 0.948) 2.391 4.216 ( 0.535 0.707 0.271) 0.928 4.235 ( 0.528 -0.023 0.564) 0.773 4.247 ( 0.904 -1.849 1.561) 2.583 4.293 ( -1.010 1.562 1.494) 2.386 4.311 ( -1.523 -0.383 3.017) 3.401 4.352 ( 0.207 0.913 0.526) 1.074 4.369 ( 0.006 -0.950 0.406) 1.033 4.424 ( -0.054 1.436 -0.498) 1.521 4.453 ( -0.371 -1.455 -0.247) 1.521 4.486 ( -3.241 0.730 -0.497) 3.359 4.503 ( -2.612 -0.522 -0.898) 2.811 4.581 ( 0.384 1.745 0.749) 1.937 4.600 ( 0.031 -0.342 0.466) 0.579 4.626 ( 0.410 0.170 0.026) 0.444 4.640 ( 2.167 -0.977 -0.767) 2.498 4.656 ( 1.221 -0.048 0.239) 1.245 4.659 ( 1.401 -0.203 -0.388) 1.468 4.708 ( -0.032 0.293 -0.195) 0.354 4.715 ( -0.306 -0.296 -1.277) 1.346 4.728 ( 2.176 1.161 0.988) 2.657 4.746 ( -1.971 0.190 0.042) 1.980 4.767 ( -1.489 -0.055 -1.105) 1.854 4.773 ( 1.376 -0.702 -1.251) 1.988 4.848 ( -1.488 1.071 4.892) 5.225 4.882 ( -2.830 -1.899 2.728) 4.366 4.959 ( -0.789 1.113 -1.183) 1.805 4.975 ( -0.670 -0.329 -1.252) 1.458 5.086 ( 1.294 2.617 1.854) 3.459 5.103 ( 0.120 2.488 -0.738) 2.598 5.119 ( 0.191 -0.272 0.474) 0.579 5.157 ( 1.991 -2.325 2.525) 3.968 5.220 ( -0.956 3.807 -1.809) 4.322 5.240 ( -0.481 0.196 0.645) 0.829 5.251 ( 1.565 -1.180 0.496) 2.021 5.321 ( -1.453 -6.501 -4.542) 8.063 5.577 ( -0.381 1.080 -0.493) 1.247 5.597 ( 0.633 -1.035 0.060) 1.214 5.647 ( -0.316 0.875 -0.498) 1.055 5.662 ( 1.260 -0.727 0.513) 1.542 12.013 ( -1.097 0.817 5.804) 5.963 12.048 ( -1.213 -2.932 6.062) 6.843 12.178 ( -0.626 3.814 -1.322) 4.085 12.240 ( -1.465 -2.848 -2.534) 4.084 14.766 ( 1.704 2.612 2.017) 3.714 14.817 ( 2.049 -3.142 0.689) 3.814 14.948 ( 1.475 3.078 -1.797) 3.857 14.993 ( 0.307 -1.933 -5.047) 5.414 15.485 ( -0.339 0.102 0.047) 0.357 15.487 ( -0.172 -0.191 -0.064) 0.265 15.507 ( 0.401 0.112 0.141) 0.439 15.510 ( 0.139 -0.151 -0.234) 0.311 16.525 ( 2.431 5.737 1.876) 6.508 16.580 ( -0.498 0.292 -1.856) 1.943 16.745 ( 3.467 1.436 0.480) 3.783 16.819 ( 2.925 -5.478 -3.260) 7.014 17.175 ( 0.046 0.049 0.284) 0.291 17.178 ( -0.381 -0.184 -0.111) 0.438 17.201 ( 0.476 0.273 0.015) 0.549 17.207 ( 0.473 -0.490 -0.389) 0.784 34.254 ( -0.093 0.133 -0.122) 0.203 34.256 ( -0.035 -0.105 -0.078) 0.136 34.260 ( 0.052 0.207 0.003) 0.214 34.264 ( 0.108 -0.161 0.014) 0.194======================= Grid point 32 (20/32) =======================q-point: (-0.17 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.355 ( -2.855 13.866 6.158) 15.438 0.419 ( -10.395 10.438 2.504) 14.943 0.587 ( -5.413 -9.219 4.583) 11.632 0.611 ( -0.270 -12.465 2.081) 12.640 0.670 ( -11.058 10.503 8.863) 17.639 0.819 ( -0.528 -0.425 1.551) 1.693 0.845 ( 1.312 0.446 -0.774) 1.587 0.856 ( -0.782 -2.680 0.213) 2.799 0.954 ( -1.063 2.568 -0.393) 2.807 0.982 ( -1.237 2.839 2.161) 3.776 1.015 ( -1.848 -1.829 -1.756) 3.138 1.037 ( -0.322 1.754 0.095) 1.786 1.056 ( -2.232 -0.954 2.330) 3.365 1.093 ( -2.597 -1.691 -1.005) 3.258 1.164 ( -0.906 1.554 0.286) 1.822 1.193 ( 2.128 -2.576 -1.158) 3.536 1.274 ( -1.997 0.752 1.878) 2.842 1.306 ( 0.522 -0.266 -1.492) 1.603 1.331 ( 2.125 -3.208 -2.929) 4.836 1.347 ( 0.293 -4.167 -0.252) 4.185 1.413 ( 2.610 1.843 0.951) 3.334 1.415 ( 2.674 2.151 2.819) 4.441 1.456 ( 1.424 -0.113 -1.569) 2.122 1.478 ( -0.245 -1.241 -1.135) 1.700 1.501 ( 0.937 2.103 -1.192) 2.592 1.511 ( 1.242 1.281 -2.619) 3.169 1.552 ( -0.286 -0.825 2.027) 2.207 1.566 ( 2.128 -1.009 3.523) 4.238 1.592 ( -0.574 -0.221 1.926) 2.021 1.614 ( 0.109 -1.852 1.686) 2.507 1.637 ( -0.779 2.097 -2.062) 3.042 1.663 ( 0.759 0.757 -0.492) 1.180 1.691 ( 1.091 1.827 1.009) 2.355 1.734 ( 2.709 -0.561 -1.107) 2.979 1.757 ( 0.973 0.087 0.180) 0.994 1.801 ( 3.174 -3.594 0.115) 4.796 1.822 ( 0.269 1.684 0.416) 1.756 1.856 ( -0.776 -0.665 0.011) 1.022 1.861 ( 2.083 -0.221 0.953) 2.302 1.898 ( 2.947 -3.505 0.145) 4.582 1.929 ( 0.108 2.188 -1.376) 2.587 1.929 ( -0.880 0.685 -2.277) 2.535 1.964 ( 0.773 0.213 0.301) 0.856 1.979 ( 1.628 0.747 -1.132) 2.119 1.988 ( -1.517 -0.964 0.715) 1.934 2.021 ( 0.788 -0.045 -1.777) 1.944 2.040 ( 1.090 1.008 -0.559) 1.586 2.072 ( 0.258 -1.388 1.444) 2.019 2.126 ( 0.726 1.532 3.116) 3.547 2.165 ( -2.592 0.613 2.542) 3.682 2.168 ( -1.084 -1.688 3.248) 3.817 2.184 ( -2.908 -0.707 1.922) 3.556 2.200 ( -1.382 1.297 0.868) 2.085 2.221 ( -0.234 -0.879 0.442) 1.011 2.262 ( -1.729 2.949 -1.340) 3.672 2.296 ( -0.887 2.127 0.500) 2.358 2.347 ( -1.113 -0.323 -0.613) 1.311 2.384 ( -2.191 0.966 1.214) 2.685 2.398 ( -2.721 -0.270 2.695) 3.839 2.455 ( -1.403 -3.098 1.044) 3.557 2.496 ( 0.256 0.581 -1.499) 1.628 2.532 ( -0.373 -2.364 -1.635) 2.899 2.579 ( 1.193 1.197 -2.135) 2.723 2.582 ( -0.623 0.817 -0.037) 1.028 2.606 ( 0.401 -2.388 -0.913) 2.587 2.620 ( 1.877 -2.503 -1.306) 3.390 2.699 ( 1.517 2.068 -1.461) 2.952 2.726 ( 1.400 -1.175 -1.531) 2.385 2.774 ( 0.539 1.081 -0.676) 1.385 2.789 ( 1.825 0.220 -1.399) 2.310 2.848 ( 1.468 1.584 -2.305) 3.159 2.864 ( 1.326 0.642 -0.462) 1.544 2.899 ( 1.241 -0.003 -0.443) 1.317 2.920 ( 0.418 -1.320 0.508) 1.475 2.930 ( -0.838 1.277 -0.138) 1.534 2.943 ( 1.379 -0.024 -2.129) 2.536 2.964 ( -1.921 2.505 -0.356) 3.177 2.990 ( -0.021 -1.471 0.395) 1.523 3.050 ( -1.249 -0.138 1.264) 1.782 3.087 ( 0.259 -1.765 1.941) 2.636 3.118 ( -0.299 1.139 0.813) 1.431 3.140 ( -1.023 -0.568 1.452) 1.865 3.178 ( 0.262 0.901 0.530) 1.078 3.192 ( -1.255 0.365 -0.727) 1.496 3.196 ( -0.678 -0.717 1.400) 1.713 3.220 ( -1.054 -1.530 0.401) 1.901 3.243 ( -0.255 2.304 0.249) 2.331 3.262 ( 0.072 1.962 -0.130) 1.968 3.287 ( 0.350 -1.023 -0.078) 1.084 3.305 ( -0.672 -1.960 0.002) 2.072 3.371 ( -0.263 1.022 0.652) 1.240 3.392 ( 1.539 -0.438 0.052) 1.601 3.417 ( 0.528 1.110 -3.472) 3.683 3.428 ( 1.398 -0.601 -1.145) 1.905 3.437 ( 0.759 -0.101 0.626) 0.989 3.467 ( 0.514 -0.923 -0.220) 1.079 3.503 ( 1.165 -0.510 -0.182) 1.285 3.513 ( 0.753 -1.192 0.443) 1.478 3.540 ( 1.435 1.040 -2.567) 3.119 3.560 ( 1.540 -0.451 -2.941) 3.350 3.664 ( 1.018 1.713 -0.144) 1.998 3.679 ( 0.157 0.014 -0.061) 0.169 3.688 ( 1.607 2.888 -0.990) 3.450 3.738 ( 2.109 -2.442 0.322) 3.243 3.755 ( 1.850 0.511 1.125) 2.225 3.770 ( 1.059 -0.696 -0.016) 1.268 3.798 ( -0.527 -1.206 -0.068) 1.318 3.812 ( -1.369 -2.676 -0.926) 3.145 3.832 ( -0.513 0.996 -0.524) 1.236 3.856 ( -0.719 -1.219 1.134) 1.814 3.889 ( 0.749 0.855 1.578) 1.945 3.895 ( 0.920 1.179 0.128) 1.501 3.906 ( 0.080 -0.231 0.702) 0.744 3.913 ( 0.153 -1.084 -1.533) 1.884 3.938 ( -0.624 1.420 -0.236) 1.569 3.951 ( -0.064 1.265 -0.170) 1.278 3.970 ( -0.706 -0.009 -0.500) 0.865 3.978 ( -0.692 0.174 -0.708) 1.006 3.995 ( -0.749 1.650 -0.486) 1.876 4.021 ( -0.923 -0.737 -0.187) 1.196 4.027 ( 0.371 0.952 1.410) 1.741 4.060 ( 0.392 -1.877 1.418) 2.385 4.098 ( 0.166 -0.024 -0.044) 0.174 4.104 ( 1.690 -0.837 2.136) 2.849 4.123 ( -0.901 -0.731 -1.569) 1.951 4.130 ( -0.885 -1.288 -1.919) 2.475 4.165 ( 0.399 1.771 0.268) 1.835 4.192 ( 0.043 0.090 0.514) 0.523 4.223 ( 0.459 2.149 0.243) 2.211 4.238 ( 0.834 1.236 1.126) 1.869 4.255 ( 0.577 -0.360 0.422) 0.801 4.282 ( 0.127 -1.690 0.865) 1.903 4.291 ( -1.125 0.576 0.699) 1.444 4.304 ( -0.821 0.146 0.792) 1.150 4.354 ( -0.294 1.627 -0.686) 1.790 4.378 ( 0.978 -1.078 0.517) 1.545 4.391 ( -1.262 0.430 -0.599) 1.462 4.412 ( -2.771 -2.100 -0.543) 3.519 4.459 ( -1.564 0.033 0.668) 1.701 4.467 ( -1.714 -1.201 2.039) 2.922 4.555 ( -3.903 0.813 -0.819) 4.070 4.582 ( -2.733 -1.909 -0.751) 3.417 4.629 ( 0.656 1.936 -2.139) 2.959 4.656 ( 0.839 -1.113 -1.974) 2.416 4.669 ( 1.151 1.325 0.647) 1.871 4.683 ( 0.616 0.327 -1.474) 1.631 4.693 ( 0.491 0.184 0.074) 0.530 4.706 ( -1.920 -1.363 -0.548) 2.417 4.721 ( 1.073 0.398 -0.245) 1.170 4.731 ( 0.565 -0.171 1.251) 1.383 4.789 ( 0.159 0.756 0.939) 1.216 4.810 ( 1.678 -1.532 1.482) 2.713 4.894 ( -1.030 0.257 3.790) 3.936 4.908 ( 0.235 -0.981 4.517) 4.628 4.966 ( 0.150 1.777 0.896) 1.996 4.983 ( 4.183 0.536 4.398) 6.094 5.079 ( 0.069 1.460 -1.995) 2.473 5.103 ( -1.713 -1.050 0.300) 2.031 5.136 ( 1.567 4.124 1.175) 4.566 5.172 ( 0.065 0.355 -2.529) 2.554 5.188 ( -1.199 -1.208 -3.864) 4.222 5.221 ( -2.169 -1.766 0.520) 2.845 5.260 ( -1.040 -2.511 0.281) 2.733 5.279 ( 1.047 -3.292 0.274) 3.465 5.563 ( -0.277 1.023 -0.224) 1.083 5.581 ( -0.540 -0.932 -0.204) 1.096 5.666 ( 1.157 1.152 -0.010) 1.633 5.689 ( 0.771 -1.197 0.132) 1.430 12.042 ( -2.435 1.500 4.569) 5.391 12.120 ( -3.940 -8.379 9.862) 13.527 12.167 ( 1.211 1.775 -0.224) 2.161 12.205 ( 0.163 -2.084 -0.987) 2.311 14.825 ( 3.342 1.902 0.970) 3.966 14.844 ( 1.908 -0.432 -1.994) 2.794 14.930 ( -0.177 3.365 -3.976) 5.212 14.971 ( 1.590 -1.226 0.256) 2.024 15.480 ( -0.292 0.120 -0.031) 0.318 15.483 ( -0.196 -0.127 -0.150) 0.278 15.509 ( 0.106 0.369 -0.114) 0.400 15.514 ( 0.207 -0.208 0.045) 0.297 16.548 ( 0.086 4.102 -1.569) 4.393 16.601 ( 4.662 1.692 0.695) 5.008 16.771 ( 1.521 2.093 -7.431) 7.868 16.820 ( 2.973 -1.279 -3.992) 5.139 17.171 ( -0.170 0.238 -0.070) 0.300 17.179 ( 0.029 -0.654 0.059) 0.657 17.205 ( 0.217 0.432 -0.390) 0.621 17.209 ( 0.405 0.122 -0.646) 0.772 34.251 ( -0.038 0.101 -0.010) 0.108 34.253 ( -0.126 -0.119 -0.015) 0.174 34.262 ( 0.148 0.190 -0.077) 0.252 34.265 ( 0.022 -0.109 -0.053) 0.123======================= Grid point 39 (21/32) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.477 ( 2.919 0.000 10.897) 11.281 0.594 ( 1.583 0.000 12.934) 13.030 0.676 ( 1.570 0.000 -6.835) 7.013 0.782 ( -1.177 0.000 3.464) 3.659 0.799 ( -4.950 0.000 -0.377) 4.964 0.828 ( 2.532 0.000 -7.546) 7.959 0.933 ( 1.128 0.000 7.306) 7.393 0.957 ( 1.133 0.000 1.812) 2.136 0.995 ( -2.171 0.000 0.737) 2.292 0.997 ( 0.464 0.000 0.996) 1.099 1.021 ( 2.275 0.000 5.821) 6.250 1.057 ( -2.131 0.000 -0.503) 2.189 1.121 ( -0.045 0.000 3.590) 3.590 1.151 ( 4.808 0.000 -0.528) 4.837 1.210 ( -1.740 0.000 -6.333) 6.567 1.213 ( 1.034 0.000 2.091) 2.332 1.238 ( -0.154 0.000 -4.160) 4.163 1.243 ( -1.759 0.000 -0.372) 1.798 1.293 ( -3.225 0.000 6.458) 7.218 1.312 ( -1.922 0.000 -3.496) 3.990 1.332 ( -1.216 0.000 -1.459) 1.899 1.365 ( 2.173 0.000 3.378) 4.017 1.412 ( 0.094 0.000 -3.884) 3.885 1.413 ( -0.665 0.000 -1.373) 1.525 1.437 ( 0.548 0.000 0.454) 0.712 1.485 ( 0.262 0.000 -0.961) 0.996 1.487 ( -0.803 0.000 -1.473) 1.678 1.545 ( -0.587 0.000 -5.317) 5.350 1.549 ( -0.995 0.000 0.184) 1.012 1.615 ( 0.762 0.000 -1.765) 1.923 1.699 ( -2.725 0.000 0.754) 2.828 1.711 ( 1.795 0.000 3.599) 4.022 1.729 ( -3.509 0.000 2.947) 4.582 1.742 ( -0.147 0.000 -0.528) 0.548 1.747 ( -1.330 0.000 -0.046) 1.330 1.803 ( 0.270 0.000 4.694) 4.702 1.816 ( 0.905 0.000 -2.992) 3.126 1.823 ( 1.821 0.000 -1.324) 2.251 1.848 ( 0.089 0.000 -3.023) 3.025 1.901 ( -0.069 0.000 -4.782) 4.783 1.922 ( 1.330 0.000 1.758) 2.204 1.955 ( -0.585 0.000 0.079) 0.590 1.957 ( 0.302 0.000 1.041) 1.084 1.961 ( 1.197 0.000 -1.248) 1.729 2.020 ( 3.476 0.000 2.535) 4.303 2.040 ( 1.180 0.000 0.172) 1.192 2.062 ( -4.303 0.000 0.809) 4.378 2.098 ( -1.472 0.000 -4.020) 4.281 2.132 ( -2.252 0.000 3.137) 3.861 2.162 ( -3.555 0.000 4.281) 5.565 2.183 ( 0.473 0.000 -0.198) 0.513 2.215 ( 2.302 0.000 0.167) 2.308 2.281 ( -3.061 0.000 4.608) 5.532 2.327 ( -3.605 0.000 5.736) 6.775 2.333 ( -1.873 0.000 3.519) 3.986 2.337 ( 2.523 0.000 1.341) 2.857 2.371 ( 2.764 0.000 -0.796) 2.877 2.406 ( -5.029 0.000 3.910) 6.370 2.418 ( 3.396 0.000 -2.780) 4.389 2.480 ( 5.026 0.000 -3.213) 5.965 2.505 ( 1.162 0.000 -1.063) 1.575 2.543 ( 1.841 0.000 -4.723) 5.070 2.553 ( -1.613 0.000 2.489) 2.966 2.605 ( -2.220 0.000 3.671) 4.290 2.625 ( 1.602 0.000 -6.281) 6.482 2.653 ( 1.428 0.000 -1.425) 2.017 2.658 ( -2.098 0.000 1.348) 2.493 2.667 ( -0.490 0.000 1.726) 1.795 2.669 ( 0.119 0.000 -0.381) 0.399 2.748 ( 4.448 0.000 -4.687) 6.461 2.750 ( -1.007 0.000 -0.654) 1.201 2.797 ( 3.440 0.000 -5.662) 6.625 2.881 ( -1.065 0.000 1.263) 1.652 2.888 ( 0.669 0.000 0.355) 0.757 2.900 ( -0.110 0.000 0.611) 0.620 2.928 ( 1.968 0.000 -1.486) 2.466 2.968 ( -0.184 0.000 0.770) 0.791 2.985 ( 0.044 0.000 -1.540) 1.540 3.053 ( -2.069 0.000 0.296) 2.090 3.093 ( -0.696 0.000 -2.679) 2.768 3.174 ( -0.350 0.000 3.922) 3.937 3.181 ( -0.256 0.000 0.075) 0.267 3.189 ( -0.590 0.000 1.178) 1.318 3.198 ( 1.039 0.000 0.779) 1.298 3.201 ( -2.454 0.000 3.085) 3.942 3.234 ( -0.651 0.000 0.934) 1.138 3.246 ( -0.904 0.000 1.518) 1.767 3.266 ( -0.049 0.000 -0.280) 0.284 3.288 ( 2.030 0.000 -3.813) 4.320 3.300 ( 1.135 0.000 -1.647) 2.000 3.332 ( 0.358 0.000 -0.368) 0.514 3.336 ( 1.091 0.000 -4.064) 4.208 3.407 ( -0.287 0.000 1.104) 1.140 3.412 ( -0.395 0.000 0.529) 0.660 3.437 ( -1.415 0.000 0.482) 1.494 3.446 ( 0.852 0.000 -0.781) 1.156 3.506 ( -0.264 0.000 2.018) 2.035 3.551 ( 2.319 0.000 0.373) 2.349 3.556 ( -0.987 0.000 -0.016) 0.987 3.570 ( 0.152 0.000 -3.192) 3.195 3.654 ( -0.183 0.000 1.857) 1.866 3.680 ( -0.089 0.000 1.967) 1.969 3.700 ( 0.012 0.000 2.784) 2.784 3.720 ( -0.677 0.000 -2.456) 2.547 3.724 ( 0.953 0.000 -1.139) 1.485 3.774 ( -0.323 0.000 -2.758) 2.776 3.778 ( 3.249 0.000 1.206) 3.466 3.817 ( -3.390 0.000 -0.311) 3.404 3.838 ( 1.058 0.000 0.472) 1.159 3.848 ( 0.217 0.000 -0.021) 0.218 3.859 ( 0.313 0.000 -0.722) 0.787 3.862 ( -2.662 0.000 -2.884) 3.925 3.907 ( 1.791 0.000 0.800) 1.962 3.908 ( -0.237 0.000 -0.223) 0.325 3.928 ( -1.466 0.000 0.808) 1.674 3.936 ( 2.064 0.000 -0.354) 2.094 3.947 ( -2.181 0.000 -0.298) 2.201 3.975 ( 1.742 0.000 -2.029) 2.674 4.008 ( -1.197 0.000 2.353) 2.640 4.035 ( 1.284 0.000 -0.638) 1.434 4.046 ( 0.760 0.000 1.678) 1.842 4.074 ( 1.016 0.000 0.254) 1.047 4.078 ( -0.836 0.000 0.487) 0.968 4.102 ( 0.472 0.000 -3.362) 3.395 4.108 ( -2.026 0.000 -0.634) 2.123 4.138 ( -0.531 0.000 -3.562) 3.601 4.170 ( -0.685 0.000 2.819) 2.901 4.200 ( 1.715 0.000 1.530) 2.299 4.201 ( -0.331 0.000 1.253) 1.296 4.206 ( 0.369 0.000 -0.635) 0.735 4.249 ( 0.055 0.000 0.470) 0.473 4.263 ( -1.831 0.000 -0.722) 1.968 4.301 ( -1.411 0.000 1.225) 1.868 4.324 ( -1.139 0.000 -0.082) 1.142 4.339 ( -1.388 0.000 0.949) 1.681 4.360 ( 1.385 0.000 -1.897) 2.349 4.439 ( 2.406 0.000 3.125) 3.944 4.442 ( -0.237 0.000 0.337) 0.412 4.462 ( -0.550 0.000 -1.246) 1.362 4.506 ( -2.223 0.000 -3.057) 3.780 4.508 ( -0.896 0.000 1.068) 1.395 4.526 ( -0.297 0.000 -0.496) 0.578 4.618 ( 0.969 0.000 0.128) 0.977 4.622 ( 0.045 0.000 0.134) 0.141 4.678 ( 2.381 0.000 1.168) 2.653 4.693 ( -0.120 0.000 1.684) 1.689 4.709 ( -1.274 0.000 0.477) 1.361 4.719 ( 1.187 0.000 1.635) 2.021 4.766 ( 2.173 0.000 2.693) 3.460 4.783 ( -2.154 0.000 0.775) 2.289 4.831 ( 1.392 0.000 1.831) 2.301 4.874 ( -1.632 0.000 -0.705) 1.778 4.902 ( -1.094 0.000 -1.040) 1.510 4.916 ( 1.024 0.000 -0.985) 1.421 5.005 ( -3.432 0.000 -0.947) 3.560 5.006 ( -2.104 0.000 1.432) 2.545 5.028 ( 0.690 0.000 -4.088) 4.146 5.043 ( 0.952 0.000 -2.791) 2.948 5.109 ( 1.312 0.000 2.446) 2.776 5.114 ( 0.390 0.000 2.171) 2.205 5.231 ( 1.845 0.000 0.116) 1.849 5.242 ( -1.540 0.000 -0.541) 1.632 5.310 ( 0.163 0.000 -0.332) 0.370 5.316 ( 0.759 0.000 -1.086) 1.325 5.596 ( 1.191 0.000 1.494) 1.910 5.620 ( 1.499 0.000 1.366) 2.028 5.626 ( -0.764 0.000 -1.515) 1.697 5.653 ( -1.785 0.000 -1.840) 2.564 12.089 ( -1.821 0.000 2.524) 3.112 12.130 ( 0.489 0.000 -1.440) 1.521 12.221 ( -9.642 0.000 0.135) 9.643 12.223 ( 5.617 0.000 -0.091) 5.618 14.802 ( -2.503 0.000 2.339) 3.426 14.854 ( 2.715 0.000 -2.482) 3.679 14.978 ( 7.242 0.000 -0.161) 7.244 14.981 ( -4.525 0.000 -0.288) 4.534 15.479 ( -0.250 0.000 0.088) 0.265 15.481 ( 0.476 0.000 -0.095) 0.486 15.509 ( 0.288 0.000 0.102) 0.306 15.512 ( -0.296 0.000 -0.171) 0.342 16.503 ( -3.738 0.000 1.000) 3.870 16.517 ( 4.081 0.000 -0.275) 4.090 16.713 ( 4.563 0.000 -0.573) 4.599 16.733 ( -2.539 0.000 -2.451) 3.528 17.169 ( 0.327 0.000 0.067) 0.334 17.172 ( -0.472 0.000 -0.273) 0.545 17.201 ( 0.542 0.000 0.203) 0.578 17.205 ( -0.302 0.000 -0.142) 0.333 34.256 ( 0.005 0.000 0.174) 0.175 34.257 ( 0.133 0.000 0.119) 0.178 34.259 ( 0.045 0.000 -0.122) 0.130 34.260 ( -0.115 0.000 -0.178) 0.212======================= Grid point 40 (22/32) =======================q-point: ( 0.17 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.580 ( 2.153 0.000 -10.815) 11.028 0.617 ( 1.179 0.000 4.065) 4.232 0.704 ( 2.941 0.000 -6.710) 7.327 0.736 ( -0.537 0.000 5.756) 5.781 0.849 ( 3.110 0.000 -3.522) 4.699 0.875 ( 5.626 0.000 5.554) 7.906 0.950 ( -1.195 0.000 -0.558) 1.319 0.960 ( -0.844 0.000 0.295) 0.894 0.990 ( -0.643 0.000 -2.099) 2.196 1.002 ( 1.983 0.000 -0.204) 1.994 1.038 ( -1.543 0.000 -0.582) 1.650 1.114 ( -0.445 0.000 -1.030) 1.122 1.126 ( 1.640 0.000 -8.329) 8.488 1.136 ( -0.555 0.000 -1.140) 1.268 1.172 ( 0.343 0.000 5.346) 5.357 1.196 ( 0.790 0.000 2.227) 2.363 1.235 ( 1.989 0.000 0.025) 1.990 1.244 ( -5.098 0.000 2.722) 5.779 1.271 ( -2.035 0.000 3.170) 3.767 1.284 ( -2.545 0.000 2.584) 3.627 1.308 ( 0.711 0.000 2.191) 2.304 1.364 ( -1.432 0.000 -2.214) 2.636 1.405 ( 0.232 0.000 -1.254) 1.275 1.429 ( 0.236 0.000 0.807) 0.840 1.478 ( 1.728 0.000 -0.796) 1.903 1.496 ( 0.311 0.000 2.664) 2.682 1.514 ( 0.948 0.000 3.335) 3.467 1.514 ( 3.085 0.000 -2.835) 4.190 1.548 ( -2.585 0.000 6.527) 7.020 1.567 ( -0.719 0.000 -5.527) 5.573 1.639 ( -3.845 0.000 -1.296) 4.058 1.701 ( -1.777 0.000 3.887) 4.274 1.707 ( -3.215 0.000 0.969) 3.358 1.756 ( -0.618 0.000 3.265) 3.323 1.768 ( -4.370 0.000 0.106) 4.371 1.778 ( 2.015 0.000 1.115) 2.303 1.802 ( -0.956 0.000 -2.165) 2.367 1.841 ( -2.089 0.000 -3.107) 3.744 1.851 ( -1.421 0.000 2.910) 3.238 1.857 ( -2.344 0.000 -0.461) 2.389 1.888 ( 4.009 0.000 -2.384) 4.664 1.908 ( -2.283 0.000 -0.955) 2.475 1.947 ( -1.996 0.000 0.118) 1.999 1.999 ( 3.695 0.000 -2.580) 4.507 2.020 ( -1.978 0.000 1.996) 2.810 2.049 ( 1.311 0.000 -4.906) 5.078 2.082 ( 0.828 0.000 1.798) 1.980 2.103 ( -2.686 0.000 3.504) 4.415 2.112 ( 0.670 0.000 3.050) 3.123 2.154 ( -4.166 0.000 6.684) 7.876 2.189 ( 2.340 0.000 -0.991) 2.542 2.256 ( 2.347 0.000 -1.522) 2.798 2.261 ( -6.700 0.000 2.363) 7.104 2.323 ( 1.176 0.000 3.444) 3.639 2.338 ( 0.749 0.000 -3.886) 3.957 2.364 ( 0.395 0.000 -0.906) 0.988 2.371 ( -3.980 0.000 4.053) 5.680 2.409 ( 1.153 0.000 -0.711) 1.354 2.451 ( 3.592 0.000 -3.535) 5.040 2.503 ( 2.685 0.000 -3.178) 4.161 2.514 ( 0.440 0.000 0.376) 0.578 2.535 ( 4.677 0.000 -6.102) 7.688 2.548 ( -2.736 0.000 3.340) 4.318 2.585 ( 0.533 0.000 -2.809) 2.859 2.611 ( -2.148 0.000 4.223) 4.738 2.645 ( -0.864 0.000 -0.610) 1.057 2.661 ( 0.891 0.000 -0.113) 0.898 2.675 ( 1.725 0.000 -1.974) 2.622 2.675 ( -1.445 0.000 2.465) 2.858 2.726 ( 0.139 0.000 -1.492) 1.499 2.781 ( 4.915 0.000 -4.060) 6.375 2.796 ( 2.850 0.000 -4.004) 4.915 2.869 ( -1.332 0.000 0.893) 1.604 2.907 ( 1.812 0.000 -1.461) 2.328 2.911 ( 1.140 0.000 0.049) 1.141 2.929 ( 0.764 0.000 -1.751) 1.911 2.964 ( -1.019 0.000 0.927) 1.378 2.966 ( -1.024 0.000 -0.454) 1.120 3.069 ( 0.234 0.000 4.138) 4.144 3.086 ( 1.781 0.000 0.399) 1.825 3.171 ( -2.094 0.000 1.834) 2.784 3.174 ( -0.522 0.000 -1.732) 1.809 3.180 ( -1.185 0.000 0.049) 1.186 3.200 ( -2.956 0.000 3.465) 4.555 3.213 ( -0.037 0.000 -0.649) 0.650 3.231 ( -0.706 0.000 0.933) 1.170 3.250 ( 0.086 0.000 2.835) 2.836 3.262 ( -0.086 0.000 -1.092) 1.095 3.280 ( 1.188 0.000 -3.086) 3.307 3.294 ( 1.495 0.000 -2.566) 2.970 3.325 ( 0.158 0.000 -0.887) 0.901 3.347 ( 2.163 0.000 -0.508) 2.222 3.412 ( 0.194 0.000 0.006) 0.194 3.412 ( -0.037 0.000 0.832) 0.833 3.444 ( 0.530 0.000 1.358) 1.457 3.469 ( 2.227 0.000 0.227) 2.238 3.525 ( -1.649 0.000 -1.729) 2.389 3.530 ( -0.798 0.000 2.945) 3.051 3.535 ( 0.491 0.000 -2.891) 2.933 3.585 ( 1.827 0.000 -1.133) 2.150 3.660 ( -1.718 0.000 1.207) 2.100 3.680 ( -0.318 0.000 -2.400) 2.421 3.693 ( -0.686 0.000 1.298) 1.468 3.703 ( -3.888 0.000 -4.255) 5.763 3.733 ( -0.403 0.000 3.609) 3.632 3.736 ( 0.660 0.000 1.051) 1.241 3.758 ( 0.221 0.000 -1.135) 1.156 3.812 ( -2.179 0.000 -0.750) 2.304 3.832 ( -0.733 0.000 1.572) 1.734 3.843 ( -0.680 0.000 -0.432) 0.806 3.856 ( 0.054 0.000 -0.915) 0.917 3.877 ( 3.205 0.000 2.960) 4.363 3.890 ( -2.726 0.000 1.183) 2.972 3.906 ( 0.630 0.000 -0.248) 0.677 3.921 ( -2.384 0.000 1.772) 2.971 3.926 ( 0.593 0.000 -1.221) 1.357 3.958 ( 1.066 0.000 -1.056) 1.500 3.976 ( 1.004 0.000 -1.152) 1.528 4.014 ( -0.078 0.000 1.486) 1.488 4.041 ( 0.010 0.000 -2.300) 2.300 4.049 ( -1.656 0.000 0.178) 1.665 4.064 ( 0.522 0.000 -2.126) 2.190 4.081 ( 0.567 0.000 1.456) 1.562 4.110 ( 1.576 0.000 -1.336) 2.066 4.112 ( 0.185 0.000 3.253) 3.258 4.133 ( 1.272 0.000 -0.030) 1.272 4.177 ( -1.302 0.000 0.079) 1.305 4.192 ( 0.672 0.000 -0.375) 0.769 4.199 ( -0.132 0.000 0.542) 0.558 4.217 ( 0.256 0.000 -0.813) 0.853 4.241 ( -1.113 0.000 0.774) 1.356 4.282 ( 1.002 0.000 1.655) 1.935 4.306 ( -1.325 0.000 2.363) 2.709 4.310 ( 0.151 0.000 1.156) 1.166 4.319 ( -1.820 0.000 0.740) 1.965 4.354 ( -0.353 0.000 -0.673) 0.760 4.446 ( -0.656 0.000 0.187) 0.682 4.455 ( 0.132 0.000 -0.767) 0.778 4.472 ( 2.689 0.000 -0.603) 2.756 4.514 ( -0.943 0.000 -0.628) 1.133 4.515 ( 1.638 0.000 1.873) 2.489 4.549 ( 4.407 0.000 3.045) 5.357 4.630 ( 0.557 0.000 -0.551) 0.784 4.633 ( 1.884 0.000 -0.813) 2.052 4.658 ( -1.257 0.000 -1.098) 1.669 4.704 ( -0.869 0.000 -2.325) 2.482 4.713 ( -2.403 0.000 -1.649) 2.915 4.736 ( -2.139 0.000 -1.173) 2.439 4.739 ( 2.389 0.000 1.309) 2.724 4.805 ( 0.196 0.000 -0.301) 0.359 4.809 ( -2.820 0.000 -0.750) 2.918 4.866 ( -1.188 0.000 2.048) 2.368 4.880 ( -1.903 0.000 0.011) 1.903 4.915 ( -0.065 0.000 0.918) 0.920 4.982 ( -0.639 0.000 2.746) 2.819 4.984 ( -1.310 0.000 0.229) 1.329 5.035 ( 0.114 0.000 -0.657) 0.667 5.055 ( 3.301 0.000 1.594) 3.665 5.121 ( -0.555 0.000 -1.520) 1.618 5.121 ( -0.306 0.000 -0.488) 0.576 5.205 ( -0.459 0.000 -1.014) 1.114 5.229 ( -2.560 0.000 1.712) 3.080 5.301 ( -1.750 0.000 0.104) 1.753 5.339 ( 3.747 0.000 -2.143) 4.317 5.577 ( -2.248 0.000 -1.361) 2.628 5.615 ( -0.335 0.000 1.059) 1.110 5.622 ( -0.093 0.000 -1.164) 1.167 5.672 ( 1.983 0.000 1.174) 2.304 12.070 ( -4.860 0.000 3.964) 6.271 12.125 ( 0.547 0.000 -1.222) 1.339 12.130 ( -2.852 0.000 1.782) 3.363 12.321 ( 3.886 0.000 2.115) 4.425 14.773 ( -3.975 0.000 1.844) 4.382 14.862 ( 1.754 0.000 -2.622) 3.154 14.887 ( -4.431 0.000 -1.206) 4.592 15.048 ( 2.479 0.000 -1.620) 2.961 15.478 ( 0.091 0.000 -0.031) 0.096 15.486 ( 0.261 0.000 -0.159) 0.305 15.505 ( -0.352 0.000 -0.074) 0.359 15.515 ( 0.261 0.000 0.043) 0.265 16.453 ( -2.857 0.000 0.702) 2.942 16.581 ( 4.095 0.000 -1.461) 4.348 16.667 ( -2.138 0.000 -1.091) 2.400 16.767 ( 2.698 0.000 -0.779) 2.808 17.166 ( -0.085 0.000 -0.004) 0.085 17.179 ( 0.688 0.000 0.225) 0.724 17.195 ( -0.523 0.000 -0.212) 0.564 17.208 ( 0.085 0.000 -0.128) 0.153 34.256 ( -0.135 0.000 -0.148) 0.201 34.257 ( -0.033 0.000 0.053) 0.062 34.259 ( 0.097 0.000 -0.165) 0.192 34.261 ( 0.101 0.000 0.160) 0.189======================= Grid point 41 (23/32) =======================q-point: ( 0.33 0.00 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.534 ( 5.415 0.000 -9.100) 10.589 0.620 ( 0.507 0.000 -8.185) 8.200 0.716 ( 8.493 0.000 -0.891) 8.539 0.750 ( -0.534 0.000 0.365) 0.647 0.877 ( 1.748 0.000 -2.095) 2.729 0.902 ( -3.921 0.000 -0.948) 4.034 0.938 ( -0.909 0.000 0.546) 1.060 0.961 ( 1.741 0.000 -3.557) 3.960 0.962 ( -0.479 0.000 -1.761) 1.824 0.999 ( -2.526 0.000 -4.712) 5.346 1.015 ( -2.755 0.000 2.497) 3.718 1.043 ( 0.576 0.000 -2.062) 2.141 1.112 ( -1.325 0.000 -0.412) 1.387 1.149 ( 0.745 0.000 3.106) 3.194 1.180 ( -1.670 0.000 0.228) 1.685 1.201 ( -1.175 0.000 -4.629) 4.775 1.242 ( -0.023 0.000 -0.167) 0.168 1.268 ( 0.577 0.000 2.904) 2.961 1.288 ( -2.198 0.000 5.860) 6.259 1.306 ( 3.202 0.000 2.742) 4.216 1.309 ( -3.932 0.000 3.845) 5.500 1.373 ( 1.549 0.000 3.184) 3.541 1.393 ( 0.813 0.000 0.372) 0.895 1.448 ( 0.850 0.000 0.930) 1.260 1.486 ( 3.042 0.000 -6.866) 7.510 1.488 ( -5.760 0.000 6.111) 8.398 1.522 ( 0.939 0.000 0.813) 1.242 1.534 ( 1.694 0.000 -0.438) 1.750 1.555 ( 3.453 0.000 -0.352) 3.471 1.591 ( -3.827 0.000 3.474) 5.169 1.593 ( -1.334 0.000 2.337) 2.691 1.675 ( -1.528 0.000 2.406) 2.850 1.718 ( -1.552 0.000 -3.259) 3.610 1.730 ( -0.037 0.000 -1.859) 1.859 1.746 ( -1.882 0.000 0.511) 1.950 1.766 ( -1.031 0.000 0.181) 1.047 1.767 ( -2.409 0.000 1.615) 2.900 1.804 ( -1.203 0.000 1.039) 1.590 1.827 ( -2.820 0.000 3.052) 4.156 1.870 ( 1.645 0.000 0.809) 1.834 1.873 ( -3.036 0.000 0.830) 3.147 1.912 ( 3.242 0.000 -4.946) 5.913 1.941 ( 0.556 0.000 3.361) 3.406 1.977 ( -1.175 0.000 -2.835) 3.069 2.029 ( -1.182 0.000 2.497) 2.763 2.056 ( 4.391 0.000 -3.837) 5.832 2.094 ( -2.490 0.000 2.947) 3.857 2.100 ( 0.393 0.000 -0.206) 0.444 2.137 ( -2.460 0.000 4.708) 5.312 2.178 ( -4.167 0.000 4.649) 6.243 2.210 ( -0.667 0.000 4.323) 4.374 2.218 ( 1.815 0.000 -2.240) 2.883 2.271 ( 1.604 0.000 -0.128) 1.609 2.303 ( -1.344 0.000 -4.207) 4.416 2.305 ( 0.476 0.000 -3.735) 3.765 2.349 ( -3.413 0.000 4.371) 5.545 2.372 ( 0.380 0.000 -6.538) 6.549 2.401 ( 1.774 0.000 1.806) 2.532 2.459 ( 0.491 0.000 -0.896) 1.021 2.498 ( 4.312 0.000 -7.695) 8.821 2.509 ( -2.236 0.000 -0.041) 2.236 2.534 ( -3.552 0.000 3.314) 4.858 2.552 ( 2.674 0.000 -3.154) 4.135 2.589 ( 1.821 0.000 -0.736) 1.964 2.621 ( -1.319 0.000 3.297) 3.551 2.631 ( -0.119 0.000 0.607) 0.618 2.665 ( 1.236 0.000 -2.801) 3.062 2.680 ( -2.397 0.000 4.460) 5.063 2.684 ( 2.529 0.000 -2.013) 3.232 2.724 ( 0.978 0.000 -0.676) 1.189 2.794 ( 1.762 0.000 -3.232) 3.681 2.809 ( 4.644 0.000 -5.228) 6.993 2.864 ( -0.423 0.000 0.477) 0.637 2.903 ( 0.491 0.000 -1.930) 1.991 2.931 ( 0.384 0.000 -0.314) 0.496 2.939 ( -0.511 0.000 0.089) 0.518 2.956 ( 1.998 0.000 0.201) 2.008 2.978 ( 0.558 0.000 3.043) 3.094 3.109 ( -0.101 0.000 -2.278) 2.280 3.112 ( -0.493 0.000 2.061) 2.119 3.147 ( 1.574 0.000 -0.967) 1.847 3.148 ( -2.588 0.000 0.389) 2.617 3.160 ( -1.441 0.000 1.441) 2.038 3.194 ( -2.639 0.000 4.193) 4.955 3.205 ( -0.547 0.000 -0.159) 0.570 3.238 ( 0.070 0.000 0.452) 0.457 3.249 ( -0.349 0.000 -0.284) 0.450 3.273 ( 1.910 0.000 -1.846) 2.657 3.288 ( 0.582 0.000 -1.566) 1.671 3.291 ( 1.003 0.000 2.219) 2.436 3.316 ( 0.309 0.000 -0.494) 0.583 3.366 ( 1.189 0.000 -0.725) 1.393 3.414 ( 0.482 0.000 -0.845) 0.973 3.427 ( 0.268 0.000 0.156) 0.310 3.457 ( -2.829 0.000 -2.816) 3.991 3.486 ( 1.652 0.000 1.853) 2.482 3.497 ( 0.530 0.000 -1.689) 1.770 3.509 ( -3.253 0.000 -1.360) 3.526 3.509 ( -0.023 0.000 -1.790) 1.791 3.598 ( 0.971 0.000 -1.796) 2.041 3.612 ( -0.866 0.000 0.895) 1.245 3.639 ( -0.019 0.000 -2.602) 2.602 3.665 ( -0.336 0.000 0.333) 0.474 3.700 ( -0.513 0.000 0.960) 1.088 3.720 ( -2.342 0.000 0.707) 2.446 3.770 ( 0.032 0.000 3.135) 3.135 3.780 ( 1.542 0.000 0.260) 1.563 3.820 ( 2.149 0.000 0.651) 2.246 3.831 ( -0.798 0.000 -0.273) 0.843 3.834 ( -0.753 0.000 2.429) 2.543 3.843 ( -0.437 0.000 1.166) 1.245 3.875 ( -1.547 0.000 2.593) 3.019 3.902 ( -1.007 0.000 1.085) 1.480 3.912 ( -0.339 0.000 -1.081) 1.133 3.930 ( 1.318 0.000 0.864) 1.576 3.944 ( 0.377 0.000 -1.920) 1.957 3.950 ( 0.500 0.000 1.803) 1.871 3.989 ( 1.082 0.000 -0.674) 1.275 4.023 ( 1.137 0.000 -0.590) 1.281 4.026 ( -0.062 0.000 0.452) 0.456 4.048 ( -0.019 0.000 -2.234) 2.234 4.050 ( -0.051 0.000 2.392) 2.393 4.096 ( 0.738 0.000 -1.898) 2.036 4.102 ( -0.930 0.000 0.630) 1.123 4.135 ( -0.140 0.000 2.036) 2.041 4.137 ( 0.251 0.000 -1.068) 1.097 4.183 ( 0.274 0.000 1.756) 1.777 4.187 ( -0.680 0.000 0.028) 0.681 4.202 ( 0.060 0.000 -1.493) 1.494 4.223 ( 0.372 0.000 0.016) 0.372 4.235 ( -0.924 0.000 0.120) 0.932 4.285 ( -2.587 0.000 1.380) 2.932 4.304 ( 0.241 0.000 -0.325) 0.405 4.321 ( -0.429 0.000 2.753) 2.786 4.326 ( 1.244 0.000 1.784) 2.175 4.368 ( 0.151 0.000 0.585) 0.604 4.435 ( -1.365 0.000 0.766) 1.565 4.438 ( 0.512 0.000 -2.150) 2.210 4.499 ( -0.442 0.000 0.962) 1.059 4.532 ( 2.956 0.000 1.251) 3.209 4.582 ( 2.417 0.000 1.291) 2.740 4.603 ( -0.803 0.000 -1.106) 1.367 4.632 ( 0.067 0.000 -0.117) 0.135 4.646 ( 0.568 0.000 -3.242) 3.291 4.646 ( 0.792 0.000 -0.303) 0.848 4.655 ( -0.812 0.000 -1.383) 1.604 4.663 ( -0.696 0.000 -0.579) 0.906 4.704 ( 0.843 0.000 1.455) 1.681 4.748 ( -2.744 0.000 -2.785) 3.910 4.753 ( -1.613 0.000 -0.741) 1.775 4.797 ( -0.157 0.000 -0.865) 0.879 4.838 ( -1.757 0.000 0.082) 1.758 4.864 ( -1.574 0.000 3.422) 3.766 4.937 ( 1.397 0.000 -1.561) 2.095 4.973 ( -1.855 0.000 3.540) 3.997 5.008 ( -0.414 0.000 -1.628) 1.680 5.030 ( -0.523 0.000 4.010) 4.044 5.063 ( -1.133 0.000 -3.218) 3.412 5.112 ( 0.623 0.000 -1.065) 1.234 5.147 ( 3.397 0.000 2.857) 4.439 5.211 ( 1.379 0.000 -1.842) 2.302 5.212 ( -1.741 0.000 2.037) 2.680 5.255 ( -3.037 0.000 0.757) 3.130 5.367 ( 2.589 0.000 -3.090) 4.031 5.549 ( -0.028 0.000 0.149) 0.152 5.608 ( -1.504 0.000 0.373) 1.549 5.618 ( 0.839 0.000 -0.464) 0.959 5.693 ( -0.200 0.000 -0.281) 0.345 12.050 ( -3.373 0.000 5.230) 6.224 12.119 ( 0.407 0.000 -1.348) 1.408 12.124 ( -0.975 0.000 2.002) 2.227 12.355 ( -1.971 0.000 -0.034) 1.972 14.736 ( -1.857 0.000 2.004) 2.732 14.840 ( -0.717 0.000 0.587) 0.926 14.853 ( 0.979 0.000 -3.082) 3.234 15.034 ( -0.592 0.000 -3.158) 3.213 15.483 ( 0.513 0.000 0.058) 0.516 15.487 ( 0.150 0.000 -0.066) 0.164 15.499 ( -0.336 0.000 0.062) 0.341 15.516 ( -0.087 0.000 -0.158) 0.180 16.437 ( -0.709 0.000 1.930) 2.056 16.597 ( 1.293 0.000 -3.907) 4.115 16.662 ( 0.750 0.000 2.321) 2.440 16.794 ( 1.664 0.000 -0.721) 1.813 17.168 ( 0.196 0.000 0.186) 0.270 17.188 ( -0.140 0.000 0.193) 0.239 17.193 ( 0.661 0.000 0.166) 0.682 17.201 ( -0.441 0.000 -0.513) 0.677 34.253 ( -0.009 0.000 -0.111) 0.111 34.256 ( -0.110 0.000 -0.045) 0.119 34.260 ( 0.187 0.000 -0.090) 0.207 34.263 ( -0.024 0.000 0.114) 0.116======================= Grid point 42 (24/32) =======================q-point: (-0.50 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.512 ( -0.467 0.000 -4.322) 4.347 0.558 ( 0.589 0.000 -6.283) 6.311 0.769 ( 2.074 0.000 1.572) 2.602 0.782 ( -4.883 0.000 -0.083) 4.884 0.837 ( -2.674 0.000 0.682) 2.759 0.869 ( -3.302 0.000 1.225) 3.522 0.883 ( -2.714 0.000 -2.341) 3.584 0.925 ( 4.773 0.000 -0.840) 4.846 0.935 ( -3.229 0.000 -1.794) 3.693 0.959 ( -0.979 0.000 -1.814) 2.061 0.997 ( 1.216 0.000 -0.589) 1.351 0.998 ( 3.003 0.000 -3.757) 4.809 1.109 ( -6.199 0.000 4.356) 7.577 1.112 ( -0.623 0.000 3.886) 3.936 1.179 ( 0.647 0.000 -0.688) 0.944 1.207 ( 4.572 0.000 -2.998) 5.467 1.260 ( -2.736 0.000 -1.878) 3.319 1.263 ( 4.879 0.000 -1.478) 5.097 1.298 ( -7.496 0.000 7.289) 10.455 1.327 ( 1.912 0.000 1.832) 2.648 1.362 ( 0.029 0.000 -1.238) 1.238 1.401 ( 5.357 0.000 -0.997) 5.449 1.461 ( -2.513 0.000 1.253) 2.808 1.464 ( 1.455 0.000 2.763) 3.123 1.489 ( -2.413 0.000 5.594) 6.092 1.519 ( -2.358 0.000 -0.409) 2.394 1.533 ( -0.567 0.000 0.694) 0.896 1.544 ( 4.513 0.000 0.594) 4.551 1.557 ( -0.883 0.000 0.797) 1.189 1.571 ( -0.872 0.000 0.494) 1.003 1.613 ( 3.843 0.000 -0.295) 3.855 1.651 ( -2.527 0.000 -0.630) 2.604 1.675 ( 1.940 0.000 -1.568) 2.494 1.698 ( -2.816 0.000 0.036) 2.816 1.730 ( -1.207 0.000 -2.980) 3.215 1.759 ( 2.834 0.000 0.428) 2.866 1.793 ( -1.289 0.000 1.056) 1.667 1.795 ( 3.199 0.000 1.005) 3.353 1.823 ( -0.510 0.000 0.634) 0.814 1.864 ( -0.768 0.000 2.563) 2.675 1.869 ( 2.238 0.000 -5.500) 5.938 1.919 ( 0.990 0.000 -2.489) 2.679 1.963 ( -0.437 0.000 4.479) 4.500 1.987 ( -1.112 0.000 3.908) 4.063 2.014 ( -2.801 0.000 1.151) 3.028 2.070 ( 2.958 0.000 -4.598) 5.467 2.080 ( -3.252 0.000 3.029) 4.444 2.105 ( 0.461 0.000 0.168) 0.491 2.159 ( -1.251 0.000 3.185) 3.422 2.177 ( -0.832 0.000 5.085) 5.152 2.194 ( -1.818 0.000 -1.072) 2.110 2.234 ( -0.206 0.000 -2.914) 2.922 2.256 ( -0.935 0.000 -4.028) 4.135 2.266 ( -3.706 0.000 7.295) 8.183 2.292 ( -1.270 0.000 -0.788) 1.494 2.332 ( 4.007 0.000 -3.471) 5.301 2.360 ( -2.929 0.000 5.538) 6.265 2.415 ( 0.921 0.000 -3.371) 3.494 2.444 ( 2.269 0.000 -5.572) 6.016 2.469 ( -2.754 0.000 3.160) 4.191 2.492 ( 3.565 0.000 -6.745) 7.629 2.529 ( -2.819 0.000 5.317) 6.018 2.532 ( 0.826 0.000 -2.834) 2.952 2.623 ( 3.288 0.000 -2.122) 3.914 2.627 ( -1.327 0.000 1.159) 1.762 2.645 ( 0.224 0.000 -2.238) 2.249 2.646 ( 0.013 0.000 1.684) 1.684 2.687 ( -2.748 0.000 4.128) 4.959 2.709 ( 3.157 0.000 -2.576) 4.075 2.746 ( 0.823 0.000 1.740) 1.925 2.778 ( 1.100 0.000 -3.902) 4.054 2.816 ( 3.270 0.000 -5.151) 6.101 2.866 ( -0.123 0.000 0.737) 0.748 2.892 ( 0.626 0.000 -1.679) 1.792 2.929 ( -0.359 0.000 0.017) 0.360 2.930 ( 0.197 0.000 -0.052) 0.203 2.999 ( 1.820 0.000 0.511) 1.890 3.010 ( -0.806 0.000 0.840) 1.165 3.058 ( -3.298 0.000 -0.424) 3.326 3.089 ( 1.490 0.000 -2.270) 2.715 3.145 ( -2.445 0.000 2.528) 3.517 3.164 ( 0.287 0.000 0.441) 0.526 3.168 ( 0.749 0.000 1.687) 1.846 3.192 ( 0.483 0.000 -1.267) 1.356 3.205 ( -1.363 0.000 3.663) 3.909 3.241 ( -0.384 0.000 0.005) 0.384 3.242 ( 0.412 0.000 -0.296) 0.507 3.267 ( 0.245 0.000 -1.151) 1.177 3.304 ( -2.369 0.000 -0.080) 2.370 3.307 ( 2.871 0.000 -1.190) 3.108 3.348 ( 2.553 0.000 1.291) 2.861 3.374 ( -2.018 0.000 -0.871) 2.198 3.387 ( 2.058 0.000 -0.218) 2.070 3.407 ( 0.185 0.000 -1.258) 1.272 3.423 ( -1.705 0.000 -1.462) 2.246 3.449 ( -0.495 0.000 -4.335) 4.363 3.466 ( 0.740 0.000 1.692) 1.846 3.498 ( -0.441 0.000 -0.891) 0.994 3.518 ( 0.106 0.000 0.852) 0.859 3.550 ( -1.101 0.000 -3.104) 3.293 3.657 ( 1.653 0.000 0.179) 1.663 3.661 ( 2.272 0.000 1.888) 2.954 3.662 ( -0.411 0.000 0.194) 0.455 3.689 ( -0.998 0.000 -0.538) 1.134 3.716 ( 0.918 0.000 1.452) 1.717 3.758 ( -1.284 0.000 -2.190) 2.539 3.813 ( 1.688 0.000 0.924) 1.924 3.836 ( -0.768 0.000 -1.010) 1.269 3.838 ( 0.201 0.000 2.376) 2.385 3.857 ( 0.236 0.000 3.181) 3.190 3.876 ( 0.275 0.000 1.338) 1.366 3.885 ( -0.785 0.000 2.528) 2.647 3.895 ( -0.775 0.000 -1.302) 1.516 3.916 ( 0.032 0.000 2.316) 2.316 3.921 ( 0.943 0.000 -2.163) 2.360 3.951 ( -0.503 0.000 -0.527) 0.728 3.977 ( 1.949 0.000 1.232) 2.305 3.996 ( 0.884 0.000 -0.291) 0.931 4.023 ( 0.377 0.000 -1.858) 1.896 4.028 ( -0.440 0.000 -0.554) 0.708 4.052 ( -0.976 0.000 0.998) 1.396 4.066 ( 0.577 0.000 3.021) 3.075 4.099 ( -0.791 0.000 -2.107) 2.251 4.100 ( -0.434 0.000 1.302) 1.373 4.122 ( 2.102 0.000 -1.385) 2.518 4.132 ( -1.434 0.000 -1.336) 1.959 4.173 ( 0.661 0.000 0.874) 1.096 4.180 ( -0.459 0.000 -1.072) 1.166 4.194 ( -1.375 0.000 -1.481) 2.021 4.207 ( -1.246 0.000 -0.498) 1.342 4.243 ( 0.633 0.000 3.712) 3.766 4.284 ( -0.378 0.000 2.972) 2.995 4.287 ( -0.697 0.000 -0.980) 1.203 4.343 ( -0.505 0.000 -1.558) 1.638 4.356 ( -0.192 0.000 3.301) 3.307 4.386 ( 1.313 0.000 0.906) 1.595 4.417 ( -1.169 0.000 -0.193) 1.184 4.435 ( 1.489 0.000 -2.287) 2.729 4.514 ( -0.061 0.000 2.214) 2.215 4.541 ( -2.803 0.000 -0.852) 2.930 4.576 ( 1.525 0.000 -0.918) 1.780 4.584 ( -1.538 0.000 -1.608) 2.225 4.621 ( 0.954 0.000 0.411) 1.038 4.637 ( 0.056 0.000 0.910) 0.912 4.652 ( -0.236 0.000 -0.273) 0.361 4.656 ( -1.045 0.000 -0.131) 1.053 4.681 ( 1.498 0.000 -2.615) 3.014 4.701 ( 3.269 0.000 3.953) 5.130 4.702 ( -1.585 0.000 -2.416) 2.890 4.763 ( 1.327 0.000 2.258) 2.620 4.772 ( -2.749 0.000 -2.415) 3.659 4.799 ( -1.235 0.000 -0.968) 1.569 4.900 ( -0.086 0.000 5.245) 5.246 4.932 ( -0.335 0.000 0.645) 0.727 4.964 ( -1.391 0.000 -2.266) 2.659 4.982 ( -1.351 0.000 -0.206) 1.367 5.029 ( 0.759 0.000 -0.571) 0.950 5.062 ( -0.061 0.000 0.965) 0.967 5.122 ( 1.269 0.000 0.363) 1.320 5.170 ( -0.895 0.000 -3.014) 3.144 5.217 ( -0.716 0.000 2.047) 2.168 5.234 ( 2.485 0.000 1.415) 2.859 5.257 ( 0.109 0.000 2.727) 2.729 5.346 ( 0.243 0.000 -4.822) 4.828 5.574 ( 2.032 0.000 0.610) 2.122 5.580 ( -1.679 0.000 -0.199) 1.690 5.644 ( 2.047 0.000 0.627) 2.141 5.663 ( -2.124 0.000 -1.236) 2.457 12.067 ( -1.326 0.000 3.712) 3.942 12.112 ( 0.732 0.000 -1.326) 1.514 12.157 ( 0.604 0.000 6.159) 6.188 12.276 ( -3.156 0.000 -4.344) 5.369 14.757 ( -0.013 0.000 3.196) 3.196 14.826 ( 0.377 0.000 -3.512) 3.533 14.877 ( 2.314 0.000 3.278) 4.012 14.968 ( -1.476 0.000 -5.243) 5.447 15.489 ( -0.083 0.000 0.016) 0.084 15.489 ( 0.050 0.000 0.003) 0.050 15.501 ( 0.394 0.000 0.365) 0.537 15.509 ( -0.272 0.000 -0.464) 0.538 16.469 ( 0.624 0.000 3.369) 3.426 16.549 ( -0.851 0.000 -4.425) 4.506 16.722 ( 1.801 0.000 3.549) 3.980 16.798 ( 1.282 0.000 -3.507) 3.734 17.175 ( 0.278 0.000 0.452) 0.531 17.186 ( -0.556 0.000 -0.534) 0.771 17.194 ( 0.249 0.000 0.345) 0.426 17.201 ( 0.304 0.000 -0.368) 0.478 34.253 ( 0.135 0.000 -0.040) 0.141 34.253 ( -0.140 0.000 -0.061) 0.152 34.262 ( -0.180 0.000 0.028) 0.182 34.263 ( 0.211 0.000 -0.026) 0.213======================= Grid point 43 (25/32) =======================q-point: (-0.33 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.431 ( -7.623 0.000 5.337) 9.306 0.438 ( -8.526 0.000 -0.667) 8.552 0.752 ( -0.350 0.000 3.303) 3.322 0.756 ( -5.429 0.000 -2.652) 6.042 0.788 ( -3.240 0.000 1.456) 3.552 0.843 ( -1.331 0.000 0.728) 1.517 0.878 ( -1.043 0.000 2.986) 3.163 0.895 ( 0.879 0.000 7.036) 7.091 0.942 ( 0.852 0.000 0.023) 0.852 0.968 ( 1.592 0.000 -1.325) 2.071 1.050 ( -1.101 0.000 5.800) 5.903 1.064 ( 5.673 0.000 -2.501) 6.200 1.075 ( -2.204 0.000 1.172) 2.496 1.141 ( -0.956 0.000 2.989) 3.139 1.180 ( -6.950 0.000 3.959) 7.998 1.193 ( 4.129 0.000 -4.861) 6.378 1.223 ( 0.216 0.000 -3.122) 3.129 1.264 ( -1.439 0.000 5.002) 5.205 1.332 ( 4.826 0.000 -3.790) 6.137 1.341 ( 1.646 0.000 -1.322) 2.111 1.343 ( -2.053 0.000 1.021) 2.293 1.406 ( -0.290 0.000 -2.088) 2.108 1.447 ( 2.746 0.000 -2.801) 3.923 1.480 ( -2.896 0.000 -1.141) 3.112 1.504 ( -1.387 0.000 -1.052) 1.741 1.505 ( -0.942 0.000 1.322) 1.623 1.529 ( 3.139 0.000 -3.182) 4.470 1.558 ( -0.530 0.000 1.902) 1.974 1.572 ( 1.414 0.000 -1.387) 1.981 1.613 ( 1.190 0.000 -0.619) 1.341 1.631 ( 2.566 0.000 2.487) 3.574 1.664 ( 0.945 0.000 -2.639) 2.803 1.685 ( 2.284 0.000 1.729) 2.865 1.695 ( -2.396 0.000 3.361) 4.128 1.733 ( 4.708 0.000 -0.899) 4.793 1.777 ( -1.591 0.000 0.909) 1.833 1.786 ( 2.079 0.000 -0.331) 2.105 1.828 ( 1.669 0.000 -2.460) 2.973 1.853 ( 3.418 0.000 -3.618) 4.977 1.885 ( 4.390 0.000 -3.332) 5.511 1.892 ( 0.440 0.000 2.592) 2.629 1.917 ( 3.586 0.000 -1.205) 3.783 1.950 ( -5.812 0.000 1.369) 5.971 1.989 ( -2.735 0.000 2.042) 3.413 1.996 ( -0.936 0.000 0.992) 1.364 2.065 ( 0.851 0.000 -2.258) 2.413 2.071 ( -1.144 0.000 2.371) 2.633 2.104 ( -0.441 0.000 1.017) 1.109 2.147 ( -4.730 0.000 4.282) 6.381 2.169 ( -1.034 0.000 1.701) 1.990 2.201 ( -0.696 0.000 -2.289) 2.393 2.215 ( -0.904 0.000 1.747) 1.967 2.250 ( 1.103 0.000 5.484) 5.594 2.254 ( -0.382 0.000 -1.026) 1.095 2.270 ( -2.967 0.000 3.662) 4.714 2.336 ( -4.010 0.000 2.486) 4.718 2.367 ( -0.802 0.000 -0.416) 0.904 2.404 ( 3.175 0.000 -5.926) 6.723 2.429 ( -0.026 0.000 3.855) 3.855 2.460 ( 2.566 0.000 -6.662) 7.139 2.473 ( -3.084 0.000 4.640) 5.572 2.548 ( -1.946 0.000 4.585) 4.981 2.558 ( 4.376 0.000 -1.617) 4.665 2.597 ( 0.056 0.000 -4.099) 4.099 2.615 ( -1.235 0.000 0.526) 1.342 2.647 ( -0.997 0.000 0.737) 1.240 2.663 ( 2.780 0.000 -2.512) 3.747 2.692 ( -2.683 0.000 4.469) 5.212 2.715 ( 0.698 0.000 -2.410) 2.509 2.753 ( 2.855 0.000 -5.914) 6.567 2.771 ( 0.069 0.000 0.781) 0.784 2.810 ( 3.265 0.000 -5.531) 6.423 2.876 ( -0.053 0.000 1.108) 1.109 2.887 ( 1.306 0.000 -1.828) 2.246 2.925 ( -0.313 0.000 0.040) 0.316 2.937 ( 0.266 0.000 0.232) 0.353 2.970 ( -2.171 0.000 -1.051) 2.412 3.019 ( 0.021 0.000 -0.464) 0.465 3.044 ( -0.530 0.000 2.624) 2.677 3.110 ( 2.692 0.000 0.000) 2.692 3.130 ( -2.198 0.000 1.908) 2.911 3.159 ( -0.565 0.000 -0.091) 0.573 3.193 ( 0.508 0.000 -1.173) 1.278 3.195 ( 0.166 0.000 1.265) 1.276 3.218 ( -1.310 0.000 1.271) 1.825 3.247 ( 0.615 0.000 -0.435) 0.753 3.248 ( 0.277 0.000 2.050) 2.069 3.254 ( -2.035 0.000 0.191) 2.044 3.274 ( 1.819 0.000 -1.595) 2.420 3.332 ( -1.381 0.000 -1.176) 1.814 3.339 ( 0.956 0.000 -0.627) 1.143 3.373 ( 1.650 0.000 -3.720) 4.069 3.392 ( -0.763 0.000 1.142) 1.373 3.401 ( 0.782 0.000 0.100) 0.788 3.434 ( 1.014 0.000 0.823) 1.306 3.443 ( 1.763 0.000 1.314) 2.198 3.490 ( 1.905 0.000 -0.376) 1.941 3.503 ( 0.969 0.000 0.879) 1.308 3.520 ( -0.379 0.000 -1.661) 1.704 3.542 ( 0.701 0.000 2.510) 2.606 3.637 ( -0.859 0.000 -1.535) 1.759 3.643 ( -1.448 0.000 -1.403) 2.016 3.680 ( 0.509 0.000 -0.806) 0.953 3.709 ( 1.868 0.000 0.211) 1.879 3.732 ( 1.346 0.000 -1.007) 1.681 3.765 ( 1.630 0.000 2.031) 2.604 3.800 ( -0.994 0.000 -2.311) 2.515 3.837 ( -0.429 0.000 -0.309) 0.529 3.864 ( -0.032 0.000 -2.352) 2.352 3.873 ( -0.717 0.000 0.257) 0.762 3.873 ( 0.015 0.000 -0.239) 0.240 3.881 ( 0.884 0.000 3.098) 3.222 3.912 ( -1.117 0.000 -1.922) 2.223 3.914 ( 1.256 0.000 1.009) 1.611 3.931 ( 0.776 0.000 -1.923) 2.074 3.937 ( -0.320 0.000 2.491) 2.512 3.969 ( -1.183 0.000 -2.936) 3.165 3.981 ( -0.802 0.000 -0.779) 1.118 3.991 ( -2.091 0.000 0.835) 2.251 4.028 ( 0.246 0.000 0.681) 0.724 4.066 ( -3.167 0.000 0.735) 3.251 4.080 ( 1.683 0.000 -0.477) 1.749 4.090 ( -1.028 0.000 -3.745) 3.883 4.105 ( 2.460 0.000 2.051) 3.202 4.109 ( -0.414 0.000 0.819) 0.917 4.133 ( 1.805 0.000 1.632) 2.434 4.171 ( -0.475 0.000 0.816) 0.944 4.171 ( -0.396 0.000 -1.102) 1.171 4.208 ( -0.260 0.000 1.733) 1.752 4.216 ( 2.071 0.000 0.890) 2.254 4.258 ( -1.050 0.000 -1.963) 2.227 4.277 ( 0.121 0.000 1.696) 1.700 4.326 ( 0.714 0.000 -2.493) 2.593 4.326 ( -0.303 0.000 3.441) 3.455 4.356 ( -1.795 0.000 -0.079) 1.797 4.374 ( -0.392 0.000 -1.595) 1.642 4.402 ( -0.884 0.000 0.896) 1.259 4.438 ( 0.767 0.000 -0.761) 1.080 4.504 ( -1.674 0.000 1.481) 2.235 4.534 ( -0.803 0.000 3.126) 3.228 4.558 ( -0.643 0.000 -1.024) 1.209 4.612 ( 2.296 0.000 0.790) 2.428 4.621 ( -0.844 0.000 -1.291) 1.542 4.629 ( -1.854 0.000 -0.883) 2.053 4.652 ( 0.841 0.000 0.697) 1.092 4.660 ( -0.146 0.000 -1.563) 1.570 4.667 ( -0.442 0.000 -1.050) 1.140 4.698 ( 1.245 0.000 -0.033) 1.245 4.727 ( 2.697 0.000 1.529) 3.100 4.758 ( -2.360 0.000 -1.985) 3.084 4.783 ( 0.219 0.000 0.265) 0.344 4.805 ( 2.915 0.000 3.777) 4.771 4.922 ( -1.469 0.000 -0.791) 1.669 4.929 ( -0.343 0.000 -1.453) 1.493 4.971 ( 1.389 0.000 1.197) 1.834 4.972 ( 1.404 0.000 5.392) 5.572 5.044 ( -1.402 0.000 2.854) 3.180 5.059 ( 1.476 0.000 -2.566) 2.960 5.129 ( 0.340 0.000 -4.106) 4.120 5.154 ( 0.038 0.000 2.732) 2.732 5.205 ( -2.341 0.000 -1.824) 2.968 5.240 ( 0.167 0.000 -0.618) 0.641 5.294 ( 0.938 0.000 -3.425) 3.552 5.310 ( 0.418 0.000 2.601) 2.634 5.556 ( -0.671 0.000 -0.404) 0.783 5.614 ( 2.307 0.000 -0.170) 2.314 5.616 ( -1.834 0.000 -0.378) 1.873 5.685 ( 1.524 0.000 0.589) 1.634 12.079 ( -1.149 0.000 2.445) 2.701 12.119 ( 1.938 0.000 -1.208) 2.284 12.190 ( -0.963 0.000 -4.474) 4.577 12.292 ( 5.216 0.000 7.520) 9.151 14.790 ( -0.313 0.000 2.965) 2.982 14.794 ( 0.691 0.000 -3.724) 3.788 14.881 ( -1.514 0.000 -4.157) 4.424 14.963 ( 2.570 0.000 3.564) 4.394 15.486 ( -0.432 0.000 -0.208) 0.480 15.486 ( -0.284 0.000 0.095) 0.299 15.502 ( 0.053 0.000 -0.260) 0.265 15.512 ( 0.397 0.000 0.255) 0.472 16.490 ( -0.533 0.000 -3.282) 3.325 16.517 ( -0.069 0.000 3.713) 3.714 16.747 ( -0.797 0.000 -6.214) 6.265 16.777 ( 1.314 0.000 1.093) 1.709 17.173 ( -0.389 0.000 -0.310) 0.497 17.187 ( 0.342 0.000 0.637) 0.723 17.197 ( -0.001 0.000 -0.644) 0.644 17.198 ( 0.046 0.000 -0.107) 0.116 34.251 ( -0.062 0.000 0.035) 0.071 34.256 ( 0.188 0.000 -0.010) 0.189 34.259 ( -0.241 0.000 0.020) 0.242 34.265 ( 0.091 0.000 -0.064) 0.111======================= Grid point 44 (26/32) =======================q-point: (-0.17 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.364 ( -4.549 0.000 9.198) 10.262 0.456 ( -3.735 0.000 14.922) 15.382 0.663 ( -0.090 0.000 -1.286) 1.290 0.778 ( 2.001 0.000 -0.987) 2.232 0.817 ( -1.112 0.000 9.747) 9.810 0.822 ( -3.087 0.000 0.487) 3.125 0.908 ( -0.726 0.000 5.061) 5.113 0.965 ( 0.202 0.000 1.728) 1.739 0.966 ( -0.953 0.000 -1.690) 1.940 0.992 ( 0.386 0.000 2.233) 2.266 1.035 ( -5.535 0.000 3.978) 6.817 1.067 ( -3.481 0.000 0.269) 3.492 1.073 ( 0.197 0.000 2.483) 2.491 1.099 ( 2.047 0.000 -3.006) 3.637 1.187 ( -2.657 0.000 11.750) 12.047 1.211 ( 0.816 0.000 -1.720) 1.904 1.223 ( 2.240 0.000 -0.744) 2.360 1.279 ( -1.781 0.000 0.135) 1.786 1.316 ( 0.790 0.000 -6.557) 6.604 1.348 ( 1.911 0.000 -1.567) 2.472 1.378 ( 1.425 0.000 -3.258) 3.556 1.395 ( 0.084 0.000 -5.552) 5.552 1.412 ( 0.136 0.000 0.994) 1.003 1.441 ( 1.310 0.000 -4.729) 4.907 1.456 ( -0.399 0.000 -2.669) 2.699 1.502 ( -0.964 0.000 -1.105) 1.466 1.517 ( 0.392 0.000 -0.297) 0.492 1.578 ( 2.058 0.000 -1.632) 2.626 1.579 ( 1.847 0.000 0.158) 1.854 1.601 ( -0.584 0.000 -1.850) 1.940 1.654 ( 0.563 0.000 -2.121) 2.194 1.714 ( -0.313 0.000 1.338) 1.374 1.717 ( 1.727 0.000 0.719) 1.871 1.729 ( 2.412 0.000 1.902) 3.072 1.754 ( -2.971 0.000 4.489) 5.383 1.793 ( -2.224 0.000 -0.979) 2.430 1.817 ( 4.353 0.000 0.470) 4.379 1.823 ( 2.802 0.000 -0.731) 2.896 1.834 ( 0.293 0.000 -3.184) 3.198 1.898 ( 0.204 0.000 -1.212) 1.229 1.922 ( 2.096 0.000 -3.603) 4.168 1.932 ( 0.241 0.000 2.301) 2.313 1.955 ( 2.880 0.000 -2.940) 4.115 1.963 ( 0.790 0.000 -3.216) 3.311 1.974 ( -1.533 0.000 2.785) 3.179 2.034 ( -1.311 0.000 0.107) 1.315 2.094 ( -2.143 0.000 6.214) 6.573 2.119 ( -1.736 0.000 0.356) 1.772 2.141 ( 2.607 0.000 0.337) 2.628 2.166 ( -1.804 0.000 -1.124) 2.126 2.194 ( -4.308 0.000 2.097) 4.791 2.208 ( -0.038 0.000 2.849) 2.849 2.263 ( 1.782 0.000 1.259) 2.182 2.280 ( 0.113 0.000 2.885) 2.887 2.309 ( -6.002 0.000 7.117) 9.310 2.320 ( -0.945 0.000 5.551) 5.631 2.342 ( 1.653 0.000 -0.862) 1.864 2.417 ( 2.621 0.000 -4.563) 5.262 2.436 ( 3.065 0.000 -3.222) 4.447 2.443 ( -4.816 0.000 4.676) 6.713 2.486 ( 0.708 0.000 2.005) 2.127 2.556 ( -1.845 0.000 2.238) 2.900 2.562 ( 0.734 0.000 -2.951) 3.041 2.602 ( -1.667 0.000 1.971) 2.582 2.620 ( 3.956 0.000 -0.792) 4.035 2.651 ( 0.080 0.000 1.175) 1.177 2.658 ( 2.303 0.000 -5.415) 5.884 2.686 ( -3.405 0.000 3.295) 4.738 2.690 ( -0.317 0.000 -2.285) 2.307 2.742 ( 3.988 0.000 -6.313) 7.467 2.766 ( -0.675 0.000 -0.206) 0.706 2.804 ( 4.017 0.000 -6.312) 7.482 2.883 ( -0.533 0.000 0.871) 1.021 2.891 ( 0.789 0.000 -1.618) 1.800 2.913 ( -1.985 0.000 -0.289) 2.006 2.914 ( -0.555 0.000 0.368) 0.666 2.957 ( 0.445 0.000 0.444) 0.629 3.001 ( 0.420 0.000 -2.274) 2.312 3.088 ( -0.177 0.000 2.069) 2.077 3.116 ( -0.540 0.000 2.194) 2.259 3.129 ( -0.328 0.000 -1.386) 1.424 3.171 ( 1.427 0.000 0.557) 1.532 3.186 ( -0.034 0.000 -0.024) 0.042 3.189 ( -1.840 0.000 1.619) 2.451 3.210 ( -1.859 0.000 2.291) 2.950 3.239 ( -0.247 0.000 -0.260) 0.358 3.246 ( -0.371 0.000 -0.275) 0.461 3.274 ( -0.305 0.000 0.952) 1.000 3.281 ( 2.308 0.000 -2.548) 3.437 3.318 ( -0.409 0.000 -2.199) 2.236 3.320 ( 0.456 0.000 0.347) 0.573 3.363 ( 1.965 0.000 -4.193) 4.631 3.397 ( -0.520 0.000 1.549) 1.634 3.413 ( -0.800 0.000 1.077) 1.341 3.458 ( -1.326 0.000 -0.413) 1.388 3.465 ( -1.223 0.000 0.924) 1.533 3.490 ( 3.061 0.000 0.848) 3.176 3.508 ( -0.410 0.000 -0.920) 1.007 3.559 ( -0.967 0.000 1.543) 1.821 3.569 ( 3.610 0.000 0.801) 3.698 3.632 ( 0.847 0.000 0.774) 1.147 3.637 ( 1.372 0.000 0.363) 1.419 3.679 ( 0.620 0.000 -0.433) 0.756 3.725 ( 0.946 0.000 -1.433) 1.718 3.750 ( -0.548 0.000 -1.382) 1.487 3.783 ( 2.385 0.000 0.511) 2.439 3.795 ( 0.434 0.000 -0.453) 0.627 3.802 ( -1.530 0.000 -4.234) 4.502 3.828 ( 0.166 0.000 1.013) 1.026 3.857 ( -1.235 0.000 -0.973) 1.572 3.863 ( 0.448 0.000 -1.155) 1.239 3.889 ( -0.908 0.000 1.377) 1.649 3.908 ( -0.194 0.000 0.215) 0.290 3.917 ( 0.888 0.000 -1.766) 1.977 3.930 ( 0.102 0.000 0.658) 0.666 3.955 ( -1.505 0.000 -2.049) 2.543 3.960 ( 2.304 0.000 -1.675) 2.848 3.968 ( -0.007 0.000 0.462) 0.462 3.986 ( -1.107 0.000 1.913) 2.210 4.031 ( 0.195 0.000 -0.545) 0.579 4.040 ( -0.435 0.000 -0.657) 0.788 4.057 ( -0.110 0.000 3.982) 3.983 4.082 ( 0.477 0.000 -2.350) 2.398 4.125 ( 1.236 0.000 -1.197) 1.720 4.128 ( -0.950 0.000 -0.433) 1.044 4.148 ( 0.291 0.000 0.537) 0.610 4.180 ( 0.084 0.000 1.448) 1.450 4.193 ( 0.959 0.000 0.528) 1.094 4.194 ( -2.707 0.000 1.043) 2.901 4.202 ( -0.590 0.000 -2.974) 3.032 4.245 ( 0.135 0.000 0.098) 0.166 4.296 ( -0.242 0.000 1.146) 1.172 4.314 ( -1.202 0.000 -0.098) 1.206 4.324 ( 0.656 0.000 0.292) 0.718 4.341 ( -1.667 0.000 1.285) 2.105 4.361 ( 1.551 0.000 -2.758) 3.164 4.411 ( -0.870 0.000 1.975) 2.158 4.449 ( 0.137 0.000 0.472) 0.491 4.493 ( -1.911 0.000 0.666) 2.024 4.522 ( -1.005 0.000 -1.821) 2.079 4.544 ( -2.745 0.000 -0.751) 2.846 4.569 ( -1.344 0.000 2.469) 2.811 4.605 ( -0.428 0.000 0.687) 0.810 4.633 ( -1.651 0.000 -1.713) 2.379 4.641 ( 0.292 0.000 0.101) 0.309 4.661 ( -0.098 0.000 0.805) 0.811 4.668 ( 1.637 0.000 0.653) 1.763 4.717 ( 1.484 0.000 0.146) 1.491 4.745 ( -1.665 0.000 0.744) 1.824 4.773 ( 2.756 0.000 2.489) 3.714 4.795 ( -0.046 0.000 0.356) 0.359 4.874 ( 0.186 0.000 2.216) 2.224 4.908 ( 1.427 0.000 -0.930) 1.703 4.912 ( 1.182 0.000 -2.252) 2.543 5.022 ( 1.433 0.000 -0.299) 1.464 5.047 ( 2.436 0.000 -1.034) 2.646 5.049 ( -1.925 0.000 5.922) 6.227 5.066 ( 1.991 0.000 0.579) 2.074 5.080 ( -0.036 0.000 -5.011) 5.011 5.109 ( -4.506 0.000 -3.385) 5.635 5.186 ( 1.512 0.000 1.476) 2.113 5.246 ( 0.637 0.000 0.161) 0.657 5.308 ( 2.061 0.000 -0.747) 2.192 5.320 ( -0.725 0.000 0.110) 0.733 5.557 ( 1.026 0.000 0.581) 1.179 5.603 ( -0.213 0.000 0.691) 0.723 5.637 ( 1.095 0.000 -1.061) 1.525 5.693 ( -0.598 0.000 -0.812) 1.008 12.086 ( -1.367 0.000 2.528) 2.874 12.145 ( -0.095 0.000 -1.852) 1.855 12.153 ( 4.217 0.000 -2.028) 4.679 12.373 ( -2.428 0.000 -2.643) 3.589 14.805 ( 5.293 0.000 -0.844) 5.360 14.807 ( -1.356 0.000 2.520) 2.862 14.869 ( 2.591 0.000 0.343) 2.613 15.015 ( -0.369 0.000 1.675) 1.715 15.477 ( -0.178 0.000 0.021) 0.179 15.483 ( -0.292 0.000 0.153) 0.329 15.504 ( 0.259 0.000 0.019) 0.260 15.516 ( -0.026 0.000 -0.049) 0.056 16.474 ( 1.832 0.000 -1.329) 2.264 16.535 ( -2.265 0.000 2.636) 3.476 16.675 ( -0.018 0.000 -2.119) 2.119 16.782 ( -0.364 0.000 -1.683) 1.722 17.167 ( -0.071 0.000 -0.106) 0.127 17.186 ( -0.576 0.000 -0.412) 0.708 17.193 ( 0.205 0.000 -0.067) 0.216 17.204 ( 0.325 0.000 0.313) 0.451 34.253 ( 0.113 0.000 0.140) 0.180 34.256 ( -0.136 0.000 0.114) 0.177 34.258 ( 0.149 0.000 -0.056) 0.159 34.264 ( -0.071 0.000 -0.136) 0.154======================= Grid point 45 (27/32) =======================q-point: ( 0.00 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 46Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.535 ( -0.414 5.952 8.121) 10.077 0.645 ( -2.630 -1.894 4.196) 5.302 0.697 ( 0.608 2.473 4.784) 5.420 0.724 ( 2.786 2.679 1.210) 4.050 0.800 ( 2.570 -1.667 -2.381) 3.880 0.831 ( -0.012 -4.917 3.199) 5.866 0.906 ( -0.218 1.717 -0.834) 1.922 0.941 ( 0.946 -1.803 0.415) 2.078 0.969 ( 1.487 -0.467 4.692) 4.944 0.987 ( -2.443 -1.931 7.859) 8.454 1.042 ( 1.171 2.560 -1.422) 3.154 1.090 ( 0.261 -0.339 1.090) 1.171 1.114 ( 3.015 0.178 -1.984) 3.614 1.148 ( -2.334 2.041 -1.956) 3.666 1.153 ( 2.775 -2.515 0.302) 3.758 1.195 ( -4.004 -2.228 -3.050) 5.505 1.229 ( -0.706 -2.374 -3.962) 4.672 1.252 ( 0.365 -1.399 -3.170) 3.484 1.296 ( -3.178 1.518 1.288) 3.750 1.318 ( -1.932 0.800 -1.475) 2.559 1.351 ( 0.782 1.987 2.284) 3.126 1.387 ( 0.607 -1.343 -2.367) 2.788 1.421 ( -1.389 3.361 0.077) 3.638 1.452 ( -1.012 2.029 -2.918) 3.695 1.471 ( 1.006 3.311 3.120) 4.660 1.482 ( 0.124 0.341 -0.261) 0.447 1.494 ( -0.309 1.663 -0.323) 1.722 1.521 ( -0.871 -1.504 -0.295) 1.763 1.561 ( 1.533 -1.218 -1.242) 2.318 1.601 ( 1.160 -4.186 3.146) 5.363 1.642 ( -0.209 0.700 0.035) 0.731 1.686 ( 2.792 -3.683 1.481) 4.853 1.700 ( -0.627 -1.628 -2.141) 2.762 1.707 ( -2.324 -1.910 -1.250) 3.257 1.780 ( -3.102 1.354 1.965) 3.913 1.786 ( -4.053 0.444 1.118) 4.228 1.850 ( 0.871 1.958 -2.494) 3.288 1.853 ( 0.387 1.376 -0.438) 1.495 1.877 ( 2.555 2.025 -2.514) 4.117 1.905 ( 0.008 -0.396 -3.602) 3.624 1.922 ( -0.602 0.139 3.139) 3.199 1.943 ( -1.831 -0.387 1.883) 2.655 1.958 ( -0.510 0.340 0.085) 0.619 1.978 ( 0.164 -2.037 1.232) 2.386 1.994 ( 3.108 0.181 -1.523) 3.466 2.010 ( 2.684 -1.545 -0.507) 3.138 2.072 ( 0.181 1.862 0.682) 1.991 2.102 ( 0.126 -1.070 -1.323) 1.706 2.162 ( -5.572 1.906 3.587) 6.895 2.172 ( -3.700 0.985 2.989) 4.858 2.211 ( 0.244 1.159 0.742) 1.398 2.214 ( 1.447 1.402 0.541) 2.086 2.276 ( -2.926 -0.931 3.640) 4.762 2.284 ( -2.540 -3.011 4.055) 5.653 2.311 ( -0.056 -0.500 2.544) 2.593 2.338 ( -1.109 -1.680 1.795) 2.698 2.354 ( 1.045 0.828 2.435) 2.776 2.401 ( 2.304 -2.985 -1.675) 4.126 2.450 ( 1.294 2.153 -3.455) 4.272 2.463 ( 3.984 0.397 -3.205) 5.129 2.522 ( 0.201 -0.182 -0.391) 0.476 2.528 ( 1.716 2.300 -0.397) 2.897 2.560 ( 0.686 -1.782 0.946) 2.131 2.583 ( -1.054 -2.521 1.090) 2.942 2.609 ( -1.709 0.005 1.790) 2.475 2.630 ( 0.222 -1.102 -0.592) 1.271 2.665 ( 0.578 0.670 -1.114) 1.423 2.669 ( 0.589 0.404 -1.127) 1.335 2.707 ( -0.860 1.936 -0.976) 2.332 2.731 ( -0.280 -1.113 -1.736) 2.081 2.767 ( 3.411 1.004 -3.693) 5.126 2.787 ( 3.203 -1.084 -5.106) 6.124 2.887 ( -0.483 1.872 1.131) 2.239 2.911 ( -0.387 1.307 0.813) 1.588 2.918 ( -0.073 -0.264 -0.683) 0.735 2.931 ( 0.424 -0.152 -0.756) 0.880 2.965 ( 0.359 0.461 -0.080) 0.590 2.979 ( 0.286 -0.600 -1.187) 1.360 3.066 ( 0.039 2.323 1.286) 2.655 3.110 ( -0.960 0.231 -2.411) 2.605 3.147 ( 0.043 -2.175 0.997) 2.393 3.160 ( -0.435 -1.851 -0.018) 1.902 3.184 ( -1.018 0.080 3.434) 3.583 3.193 ( -2.390 -0.616 3.968) 4.673 3.213 ( -0.379 0.540 0.415) 0.780 3.217 ( -0.879 0.272 1.863) 2.078 3.264 ( 0.844 0.826 -0.740) 1.393 3.274 ( -0.424 2.045 0.496) 2.146 3.290 ( 0.789 -0.848 -1.503) 1.898 3.312 ( 0.944 0.573 -3.439) 3.611 3.317 ( 0.917 -1.508 -0.820) 1.946 3.331 ( 1.431 -0.865 -4.145) 4.470 3.413 ( 0.268 1.383 0.983) 1.718 3.423 ( -0.120 0.577 0.140) 0.606 3.439 ( -1.432 0.350 0.640) 1.607 3.447 ( -0.107 -0.303 -0.151) 0.355 3.509 ( -0.301 0.550 1.412) 1.545 3.536 ( -0.130 -1.846 -0.408) 1.895 3.554 ( 1.613 0.581 0.318) 1.744 3.570 ( 0.649 -0.788 -1.119) 1.514 3.640 ( 0.062 0.464 1.600) 1.666 3.664 ( 0.722 -1.714 0.567) 1.945 3.709 ( -1.294 -0.341 -2.265) 2.631 3.713 ( -0.263 -0.219 -1.016) 1.072 3.751 ( 0.361 2.857 1.555) 3.273 3.777 ( 2.531 0.508 0.687) 2.671 3.805 ( 1.602 0.299 0.583) 1.730 3.817 ( -1.341 0.060 -1.706) 2.171 3.823 ( -1.357 -1.545 0.494) 2.115 3.836 ( -0.510 -0.028 -1.238) 1.339 3.842 ( -0.436 -0.327 -0.109) 0.556 3.862 ( -0.456 -1.319 0.455) 1.467 3.896 ( -1.296 0.509 -2.274) 2.667 3.905 ( -0.652 -0.545 -1.865) 2.050 3.925 ( 0.954 0.133 -0.045) 0.964 3.936 ( 0.346 -0.917 -1.168) 1.525 3.958 ( -0.794 1.915 1.242) 2.416 3.982 ( -0.175 -0.159 -0.916) 0.946 4.022 ( 0.093 1.253 2.312) 2.631 4.036 ( 1.210 -0.164 0.680) 1.397 4.052 ( 1.580 0.199 1.766) 2.378 4.064 ( 0.516 -1.024 0.887) 1.449 4.082 ( -0.897 0.082 -0.662) 1.117 4.093 ( -0.465 0.171 -0.134) 0.513 4.112 ( -0.233 0.270 -2.983) 3.004 4.119 ( -1.357 -1.215 -2.972) 3.486 4.170 ( -0.302 0.288 1.178) 1.249 4.188 ( 0.049 -1.509 -0.183) 1.520 4.213 ( 0.926 1.618 1.289) 2.266 4.236 ( -0.622 2.249 -0.052) 2.334 4.242 ( -0.154 -1.273 0.509) 1.379 4.261 ( -0.793 -0.483 -0.655) 1.137 4.318 ( -0.035 1.587 1.973) 2.532 4.335 ( -0.507 0.075 1.226) 1.329 4.347 ( -1.211 0.949 -0.135) 1.545 4.358 ( 0.439 -0.247 -1.293) 1.387 4.436 ( 0.923 0.184 1.555) 1.818 4.445 ( 0.161 -0.440 1.212) 1.300 4.461 ( -0.173 0.787 -0.763) 1.110 4.487 ( -0.869 -1.628 -0.921) 2.062 4.521 ( -0.918 0.745 -0.488) 1.280 4.528 ( -0.955 0.018 -0.191) 0.974 4.617 ( 0.548 0.027 -0.690) 0.882 4.620 ( 0.423 -0.203 -0.583) 0.748 4.688 ( 1.142 0.977 0.630) 1.629 4.699 ( -0.680 0.076 0.429) 0.808 4.713 ( 0.446 0.587 2.121) 2.245 4.719 ( 1.519 -0.014 2.359) 2.806 4.772 ( 2.046 0.818 2.230) 3.135 4.786 ( -1.231 -0.056 1.034) 1.609 4.823 ( 0.281 -0.240 1.465) 1.511 4.846 ( -2.215 -2.285 0.131) 3.185 4.907 ( -0.363 0.507 -1.121) 1.283 4.916 ( 0.905 -0.311 -1.459) 1.745 4.998 ( -0.723 -0.023 -2.674) 2.770 5.007 ( 0.143 -0.922 -3.187) 3.320 5.036 ( -2.620 1.756 1.189) 3.370 5.054 ( -1.116 0.231 0.327) 1.185 5.118 ( 0.513 0.830 0.947) 1.360 5.128 ( 0.974 0.719 0.553) 1.331 5.217 ( -1.542 -0.933 0.295) 1.826 5.231 ( 3.336 -1.368 -0.907) 3.718 5.287 ( -1.743 -1.110 0.858) 2.237 5.295 ( 1.822 -1.395 -0.093) 2.297 5.601 ( 1.181 0.478 1.288) 1.812 5.611 ( 1.139 -0.631 0.914) 1.591 5.636 ( -0.713 0.704 -1.083) 1.476 5.647 ( -1.437 -0.553 -1.568) 2.198 12.101 ( -2.897 1.368 2.370) 3.985 12.128 ( -1.515 -0.876 -0.056) 1.751 12.199 ( -3.693 -0.975 0.657) 3.876 12.209 ( 3.723 -1.321 -0.291) 3.961 14.810 ( -1.239 0.937 0.880) 1.785 14.835 ( 0.842 -1.671 -1.347) 2.306 14.986 ( 2.142 0.706 0.062) 2.256 14.990 ( 0.458 0.345 -0.453) 0.731 15.478 ( 0.012 -0.054 0.061) 0.083 15.479 ( 0.047 -0.153 -0.052) 0.168 15.512 ( 0.141 0.244 0.048) 0.286 15.514 ( -0.092 0.094 -0.116) 0.175 16.559 ( 3.112 4.217 0.239) 5.246 16.571 ( -3.289 5.181 -1.210) 6.255 16.673 ( 4.263 -3.174 -0.429) 5.332 16.700 ( -2.020 -3.701 -3.168) 5.274 17.170 ( 0.163 0.138 0.050) 0.219 17.172 ( -0.213 -0.032 -0.144) 0.259 17.201 ( 0.278 0.041 0.040) 0.283 17.203 ( -0.151 -0.164 -0.162) 0.276 34.256 ( 0.043 -0.015 0.132) 0.140 34.256 ( 0.101 -0.047 0.109) 0.155 34.260 ( 0.001 0.057 -0.103) 0.118 34.260 ( -0.066 -0.003 -0.143) 0.157======================= Grid point 46 (28/32) =======================q-point: ( 0.17 0.33 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.636 ( 3.824 4.003 -1.061) 5.637 0.661 ( 2.343 4.127 0.300) 4.755 0.708 ( -0.339 -0.903 4.500) 4.602 0.763 ( 0.895 1.882 -3.938) 4.455 0.795 ( 3.121 -1.050 -7.248) 7.961 0.877 ( 3.522 -2.960 -0.064) 4.601 0.922 ( 0.547 -1.758 -1.629) 2.458 0.938 ( 0.663 -1.914 0.369) 2.059 0.991 ( -2.905 2.248 -1.469) 3.956 1.012 ( -1.371 0.293 -0.320) 1.438 1.058 ( -0.555 -0.142 -2.636) 2.698 1.079 ( 1.399 -2.669 0.240) 3.023 1.103 ( 0.029 -1.325 2.133) 2.511 1.111 ( 1.169 -1.783 -1.737) 2.750 1.178 ( 2.405 1.084 1.740) 3.160 1.196 ( -0.343 1.139 0.799) 1.433 1.227 ( 1.626 -0.857 0.423) 1.886 1.240 ( 0.408 -0.398 0.834) 1.010 1.267 ( -3.558 0.564 5.142) 6.279 1.301 ( -1.804 -1.636 3.340) 4.134 1.344 ( -0.106 1.986 -0.259) 2.005 1.370 ( -0.381 -1.515 0.274) 1.586 1.398 ( -2.973 4.217 0.997) 5.255 1.441 ( 0.325 1.004 1.163) 1.570 1.473 ( -1.252 -0.095 1.413) 1.890 1.487 ( -2.348 -2.134 1.400) 3.468 1.516 ( -0.113 0.096 -1.417) 1.425 1.517 ( 1.633 -0.247 -0.688) 1.789 1.565 ( 1.060 3.005 -2.043) 3.786 1.602 ( -0.682 0.681 -2.108) 2.318 1.637 ( -2.495 -0.961 -0.569) 2.734 1.650 ( -0.400 -1.985 -0.352) 2.056 1.702 ( 1.480 -0.745 -0.448) 1.717 1.740 ( 0.385 -0.577 2.864) 2.947 1.765 ( -2.683 0.305 4.337) 5.109 1.784 ( -0.281 -2.712 4.139) 4.956 1.810 ( -2.590 1.943 0.696) 3.312 1.842 ( -2.003 -0.596 -1.487) 2.565 1.847 ( -1.167 1.758 -2.023) 2.923 1.874 ( -3.734 0.436 0.483) 3.791 1.899 ( -0.875 0.203 -1.778) 1.992 1.909 ( -0.894 1.667 -1.169) 2.224 1.932 ( -1.615 -1.303 0.464) 2.126 1.966 ( -1.015 -3.066 0.110) 3.232 2.034 ( 4.714 2.147 -3.145) 6.060 2.075 ( 2.948 -1.658 -2.921) 4.469 2.091 ( 0.882 1.145 1.410) 2.019 2.108 ( 0.751 0.881 1.885) 2.212 2.116 ( -4.732 1.418 5.238) 7.200 2.135 ( -5.390 -0.998 5.210) 7.563 2.228 ( 1.466 2.792 0.402) 3.179 2.247 ( -1.007 -0.472 1.762) 2.084 2.260 ( -3.185 -0.396 1.121) 3.400 2.284 ( 0.784 -2.069 -0.376) 2.244 2.323 ( -1.645 -1.329 2.910) 3.597 2.338 ( -1.504 -2.005 2.120) 3.282 2.388 ( 0.518 0.994 -1.395) 1.790 2.413 ( 3.038 -1.793 -1.529) 3.844 2.440 ( 3.165 0.618 -6.040) 6.847 2.489 ( 3.869 -3.218 -5.433) 7.406 2.505 ( 0.187 4.241 -0.617) 4.290 2.555 ( 1.603 1.566 -0.920) 2.422 2.568 ( -0.443 -1.436 -0.968) 1.787 2.582 ( 0.379 -0.378 0.566) 0.780 2.610 ( -1.128 -0.086 3.133) 3.331 2.630 ( -1.002 -1.696 2.531) 3.207 2.659 ( -0.269 1.112 -0.738) 1.362 2.668 ( 0.203 0.163 -0.602) 0.655 2.698 ( 0.614 0.885 -0.524) 1.198 2.713 ( 0.934 -0.962 -1.656) 2.131 2.783 ( 3.836 0.313 -4.437) 5.874 2.792 ( 2.885 -0.458 -3.748) 4.752 2.892 ( -0.869 1.844 0.823) 2.198 2.912 ( 0.804 0.148 -1.496) 1.705 2.934 ( 2.102 1.631 0.140) 2.664 2.938 ( 0.488 0.636 0.499) 0.945 2.961 ( -0.628 -0.286 0.457) 0.828 2.966 ( 0.215 -0.295 -0.707) 0.796 3.069 ( -0.568 1.473 0.042) 1.579 3.105 ( 0.787 0.063 1.519) 1.712 3.144 ( -0.950 -1.716 0.186) 1.970 3.163 ( 0.381 -1.777 0.581) 1.908 3.186 ( -1.889 0.818 2.325) 3.105 3.193 ( -1.943 -0.348 2.391) 3.100 3.222 ( -1.592 1.072 0.788) 2.075 3.229 ( -0.329 0.338 1.803) 1.864 3.257 ( -0.063 0.455 -0.522) 0.695 3.266 ( 1.125 0.470 -2.126) 2.451 3.281 ( 0.073 0.183 -0.418) 0.462 3.301 ( 0.522 0.336 -2.002) 2.096 3.319 ( 0.996 -1.211 -1.557) 2.210 3.327 ( 1.516 -1.774 -0.660) 2.425 3.414 ( -0.108 0.702 -0.595) 0.926 3.428 ( 0.764 0.044 0.026) 0.765 3.439 ( 0.115 0.923 1.384) 1.667 3.452 ( 0.147 -0.613 1.038) 1.215 3.519 ( -0.566 -0.355 0.333) 0.746 3.537 ( 0.766 -1.035 -0.467) 1.370 3.554 ( -0.526 1.484 -1.663) 2.290 3.570 ( 0.797 -1.067 -1.134) 1.749 3.644 ( -0.681 0.478 -0.539) 0.991 3.674 ( 0.709 -1.529 -1.922) 2.556 3.692 ( -0.540 0.500 1.630) 1.788 3.713 ( -0.572 -0.942 1.757) 2.074 3.723 ( -2.469 0.634 -2.291) 3.428 3.739 ( -3.163 -1.245 -1.160) 3.591 3.781 ( -1.064 3.103 1.936) 3.809 3.808 ( -0.464 0.416 -1.303) 1.445 3.826 ( -0.727 -0.769 2.229) 2.467 3.833 ( -0.142 -1.059 0.888) 1.389 3.849 ( -0.211 -0.315 -0.951) 1.024 3.861 ( -0.075 -1.236 0.274) 1.268 3.887 ( -0.075 -0.281 1.783) 1.807 3.897 ( 0.071 -1.001 1.369) 1.697 3.939 ( 1.783 1.587 -0.479) 2.435 3.944 ( 1.169 0.757 -0.819) 1.615 3.970 ( 0.224 1.536 0.943) 1.816 3.986 ( 1.008 0.558 -0.075) 1.154 4.025 ( -0.487 1.296 -0.501) 1.472 4.037 ( -0.465 0.522 -0.999) 1.219 4.056 ( -0.900 -0.764 -2.393) 2.669 4.064 ( -0.864 -0.640 -0.998) 1.467 4.085 ( 0.707 -0.157 -0.288) 0.779 4.099 ( 0.279 -1.055 0.522) 1.210 4.100 ( 1.429 -0.152 2.402) 2.799 4.114 ( 1.040 -0.889 1.833) 2.288 4.183 ( -0.498 0.179 -0.802) 0.961 4.187 ( 0.763 -0.512 0.531) 1.061 4.211 ( -0.019 1.107 0.275) 1.141 4.233 ( -0.632 2.162 -0.083) 2.253 4.244 ( 0.282 -1.032 0.904) 1.401 4.260 ( -0.390 -0.820 0.589) 1.082 4.305 ( -2.297 0.665 0.028) 2.391 4.333 ( -0.569 -0.525 0.644) 1.007 4.337 ( -1.261 0.078 0.136) 1.271 4.339 ( -0.974 0.937 1.780) 2.235 4.451 ( -0.195 0.465 0.682) 0.848 4.458 ( 0.333 -0.069 -1.698) 1.732 4.472 ( 2.678 0.846 -0.393) 2.835 4.498 ( 0.642 -1.535 0.580) 1.761 4.535 ( 1.804 1.118 1.355) 2.518 4.545 ( 2.650 -0.224 2.064) 3.366 4.618 ( 0.477 -0.306 -0.450) 0.723 4.628 ( 0.852 -1.062 -0.654) 1.510 4.681 ( -0.097 2.355 -0.586) 2.428 4.701 ( -2.027 0.240 -2.046) 2.890 4.712 ( -2.816 -0.577 -1.979) 3.490 4.722 ( 1.566 -1.776 0.824) 2.507 4.751 ( -1.750 1.685 -1.331) 2.770 4.786 ( -2.008 -1.831 -0.747) 2.818 4.826 ( -0.017 1.649 0.430) 1.704 4.856 ( -0.150 -1.240 1.761) 2.159 4.883 ( -1.784 0.535 0.427) 1.911 4.899 ( -0.771 -1.230 0.190) 1.464 4.982 ( 0.591 0.904 -0.158) 1.091 5.008 ( 0.957 -1.195 -0.163) 1.540 5.037 ( -0.171 2.517 3.459) 4.281 5.063 ( 0.641 0.206 1.815) 1.936 5.121 ( -0.939 0.043 -0.773) 1.217 5.125 ( -0.443 -0.120 -0.463) 0.652 5.202 ( 0.218 1.100 -0.708) 1.326 5.251 ( -1.605 -2.975 -0.177) 3.385 5.264 ( 0.522 1.671 -0.943) 1.989 5.315 ( 1.504 -2.675 -1.234) 3.307 5.582 ( -1.961 0.593 -1.054) 2.304 5.597 ( -1.235 -1.056 -0.434) 1.681 5.643 ( 0.874 1.378 0.308) 1.660 5.664 ( 1.699 -0.892 0.900) 2.119 12.072 ( -4.361 0.331 3.545) 5.630 12.087 ( -3.154 -1.528 2.129) 4.101 12.194 ( 1.375 4.441 -0.609) 4.689 12.277 ( 3.299 -4.375 0.591) 5.511 14.781 ( -3.247 1.007 1.020) 3.549 14.812 ( -1.794 -2.484 -0.506) 3.106 14.959 ( -0.523 4.540 -1.836) 4.925 15.024 ( 1.541 -2.637 -1.591) 3.444 15.479 ( 0.225 0.163 -0.014) 0.278 15.483 ( 0.340 -0.256 -0.043) 0.427 15.508 ( -0.368 0.336 -0.054) 0.501 15.514 ( -0.076 -0.203 0.006) 0.217 16.509 ( -2.683 5.552 -0.108) 6.167 16.607 ( 0.050 -3.074 0.329) 3.092 16.645 ( 1.051 3.081 -2.078) 3.862 16.729 ( 2.730 -4.142 -0.392) 4.977 17.169 ( -0.022 0.317 -0.008) 0.318 17.175 ( 0.282 -0.359 0.080) 0.464 17.198 ( -0.200 0.319 -0.091) 0.387 17.205 ( 0.030 -0.363 -0.061) 0.369 34.256 ( -0.051 0.046 -0.130) 0.147 34.257 ( 0.012 -0.079 -0.110) 0.136 34.259 ( 0.025 0.082 0.029) 0.090 34.260 ( 0.058 -0.047 0.099) 0.124======================= Grid point 47 (29/32) =======================q-point: ( 0.33 0.33 -0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 46Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.622 ( 1.834 6.855 -6.033) 9.314 0.674 ( 1.189 5.907 -7.229) 9.411 0.690 ( 2.480 -1.922 -2.802) 4.207 0.786 ( 4.021 0.531 -1.832) 4.451 0.854 ( 1.929 -4.393 -2.078) 5.229 0.872 ( 2.580 -0.786 -1.109) 2.916 0.911 ( -0.098 -0.584 -2.187) 2.266 0.926 ( 1.646 -2.205 -4.855) 5.580 0.973 ( -3.542 -0.717 2.505) 4.397 0.982 ( -2.513 -1.464 3.323) 4.416 1.010 ( -1.449 -0.216 -3.039) 3.374 1.025 ( -1.139 -0.176 -1.506) 1.896 1.109 ( 0.875 1.720 -1.384) 2.374 1.149 ( 1.264 -2.316 -1.666) 3.120 1.202 ( 0.063 0.881 0.661) 1.103 1.215 ( -3.530 0.644 1.036) 3.735 1.242 ( 0.644 0.873 1.092) 1.539 1.270 ( -2.890 0.448 3.212) 4.343 1.276 ( 0.767 -0.554 2.781) 2.937 1.306 ( 1.029 -0.807 1.563) 2.038 1.339 ( -2.819 2.688 2.557) 4.660 1.375 ( -1.279 -0.395 2.340) 2.696 1.410 ( 0.981 2.109 4.611) 5.164 1.447 ( 1.083 -0.996 0.534) 1.566 1.483 ( -1.754 1.009 3.595) 4.125 1.504 ( -0.030 -1.005 0.664) 1.205 1.509 ( 0.850 0.914 -1.189) 1.724 1.530 ( 1.056 -1.897 5.410) 5.830 1.558 ( -0.412 -0.409 -1.051) 1.201 1.577 ( 2.022 2.186 -3.812) 4.838 1.579 ( -1.732 -1.304 0.405) 2.205 1.648 ( 1.579 -4.068 -1.353) 4.569 1.715 ( -2.190 0.468 -0.709) 2.349 1.722 ( -4.134 -0.268 -2.045) 4.620 1.752 ( -2.332 1.336 1.217) 2.950 1.775 ( -1.244 2.435 1.006) 2.914 1.790 ( 0.186 -0.744 1.213) 1.435 1.815 ( -3.023 -0.044 -0.221) 3.032 1.826 ( -1.755 0.078 0.369) 1.795 1.848 ( -1.008 -2.357 1.652) 3.050 1.865 ( -0.342 0.306 2.441) 2.484 1.905 ( 0.466 -2.318 -0.715) 2.470 1.926 ( 1.284 2.561 -0.371) 2.888 1.961 ( 1.026 -1.535 -1.588) 2.435 2.059 ( 0.936 -0.072 -0.721) 1.184 2.077 ( 1.424 -0.255 -1.250) 1.912 2.094 ( -1.119 2.723 1.119) 3.149 2.115 ( -1.666 1.189 2.412) 3.163 2.134 ( -1.379 0.545 4.468) 4.707 2.164 ( -1.099 -1.936 5.509) 5.942 2.195 ( -3.346 0.169 -0.067) 3.351 2.221 ( -2.415 -1.690 0.626) 3.014 2.266 ( 0.222 1.462 -0.515) 1.566 2.295 ( 1.981 1.151 -0.243) 2.304 2.309 ( -2.257 -2.187 1.917) 3.681 2.351 ( 0.441 0.224 -2.183) 2.239 2.374 ( 1.205 -0.839 0.180) 1.480 2.414 ( 1.901 2.580 -5.151) 6.067 2.434 ( 1.415 -3.050 -3.085) 4.563 2.480 ( 1.959 -2.060 -4.365) 5.209 2.495 ( 0.647 2.097 -1.980) 2.955 2.537 ( -1.939 -1.015 -0.122) 2.192 2.580 ( 2.206 1.203 -1.488) 2.921 2.593 ( -0.419 0.491 0.928) 1.130 2.626 ( -1.791 0.150 3.479) 3.916 2.634 ( -1.127 -0.404 0.977) 1.545 2.661 ( -0.217 0.457 -0.255) 0.567 2.667 ( 0.509 -0.105 1.834) 1.906 2.703 ( 1.789 0.991 -1.649) 2.627 2.720 ( 1.918 -0.612 -1.694) 2.631 2.787 ( 1.948 -0.367 -3.925) 4.398 2.795 ( 3.559 -1.047 -4.598) 5.908 2.887 ( -0.215 1.690 0.126) 1.708 2.903 ( 0.501 0.131 -1.575) 1.658 2.925 ( -1.254 0.068 -0.057) 1.257 2.942 ( -0.761 -0.971 -0.847) 1.497 2.981 ( 2.564 2.720 0.396) 3.759 3.005 ( 1.755 1.510 1.875) 2.979 3.082 ( 0.393 -1.106 1.265) 1.726 3.102 ( -1.550 -2.637 -0.038) 3.059 3.145 ( 0.318 1.774 0.503) 1.871 3.168 ( -0.266 -0.558 0.027) 0.619 3.178 ( -2.233 1.895 2.271) 3.706 3.196 ( -1.640 -0.022 1.669) 2.340 3.204 ( -0.027 0.766 1.335) 1.540 3.231 ( -1.116 -0.874 1.401) 1.993 3.248 ( -0.254 0.403 -0.713) 0.858 3.265 ( 1.715 -0.990 -1.866) 2.721 3.281 ( -0.196 0.376 -1.216) 1.288 3.296 ( 0.572 -0.607 -0.417) 0.932 3.326 ( 1.231 1.009 0.312) 1.622 3.351 ( 2.096 -1.659 -0.191) 2.680 3.410 ( 0.644 0.437 -1.382) 1.586 3.426 ( -0.138 -1.235 -2.311) 2.625 3.460 ( 0.093 0.953 0.676) 1.172 3.471 ( 0.659 -0.716 0.249) 1.005 3.493 ( -2.713 -0.343 -0.976) 2.904 3.497 ( -1.694 -0.362 -2.442) 2.994 3.525 ( -0.694 1.002 -1.491) 1.926 3.560 ( -0.380 -2.728 -1.598) 3.184 3.643 ( -0.030 1.563 0.784) 1.749 3.646 ( 0.368 0.820 -0.338) 0.961 3.677 ( -0.527 0.755 0.209) 0.944 3.694 ( -0.219 -0.287 0.100) 0.375 3.723 ( -0.912 0.203 1.098) 1.441 3.752 ( 0.122 -2.665 1.565) 3.093 3.778 ( 0.348 1.062 0.657) 1.296 3.802 ( 0.246 -0.159 1.105) 1.143 3.822 ( -0.329 -0.610 -0.365) 0.784 3.832 ( -1.388 -0.337 2.636) 2.998 3.858 ( 0.148 -0.258 1.293) 1.327 3.867 ( -0.452 -1.493 2.287) 2.768 3.906 ( 0.145 0.951 0.831) 1.271 3.922 ( 0.214 0.402 1.920) 1.973 3.939 ( 0.542 1.106 -1.851) 2.224 3.947 ( 0.060 0.747 -1.527) 1.701 3.973 ( -0.642 1.932 0.490) 2.094 4.003 ( 0.294 0.486 -0.172) 0.593 4.015 ( 0.737 -0.076 -1.400) 1.584 4.027 ( 0.317 0.484 0.431) 0.721 4.038 ( 0.052 -0.723 -1.128) 1.340 4.050 ( 0.698 -1.279 0.516) 1.546 4.084 ( 0.245 0.434 -0.463) 0.681 4.100 ( -0.192 -1.301 -0.247) 1.338 4.138 ( 0.040 0.542 1.744) 1.827 4.152 ( -0.607 1.428 -2.001) 2.532 4.160 ( 0.766 -1.335 2.306) 2.772 4.187 ( -0.102 -1.079 -0.625) 1.251 4.217 ( -1.011 1.495 0.574) 1.893 4.238 ( -1.157 -0.092 0.801) 1.410 4.245 ( 0.166 1.710 0.543) 1.802 4.273 ( -1.671 -1.100 0.918) 2.201 4.297 ( 2.415 0.254 2.029) 3.164 4.316 ( -0.132 -0.617 0.124) 0.643 4.338 ( -0.808 0.540 1.732) 1.986 4.352 ( -0.259 -1.300 0.799) 1.548 4.439 ( -0.731 0.357 -0.487) 0.948 4.442 ( 0.181 0.139 -1.919) 1.932 4.507 ( 0.616 1.040 0.903) 1.509 4.524 ( 2.742 -0.635 0.552) 2.868 4.593 ( 0.194 -0.457 -1.435) 1.519 4.596 ( 1.875 -0.259 1.213) 2.249 4.614 ( -0.499 0.187 0.402) 0.667 4.632 ( 0.228 -1.042 -0.158) 1.078 4.653 ( -0.004 0.483 -0.976) 1.090 4.659 ( -0.978 0.933 -0.787) 1.564 4.680 ( 0.864 -0.617 0.799) 1.329 4.705 ( -2.838 -0.023 -0.754) 2.937 4.722 ( -0.323 -0.390 -2.608) 2.656 4.748 ( -1.281 -1.115 -1.345) 2.166 4.810 ( -0.690 1.323 -0.942) 1.764 4.830 ( -1.783 -0.696 -0.361) 1.948 4.887 ( -0.533 1.666 2.636) 3.164 4.915 ( 0.871 -1.619 0.903) 2.049 4.988 ( -0.857 1.914 0.810) 2.248 5.018 ( -1.242 -1.016 0.758) 1.774 5.060 ( -0.564 2.143 1.486) 2.668 5.077 ( -0.418 1.132 -0.630) 1.361 5.111 ( 0.633 -0.008 0.537) 0.831 5.126 ( 0.746 -0.979 2.093) 2.428 5.206 ( 1.491 0.136 -2.517) 2.929 5.224 ( -0.922 -1.167 -0.110) 1.492 5.253 ( -0.504 2.322 0.236) 2.387 5.322 ( 1.546 -4.318 -2.407) 5.180 5.559 ( -0.045 1.045 0.230) 1.071 5.582 ( -0.267 -1.511 0.249) 1.554 5.649 ( -0.182 2.048 -0.319) 2.081 5.681 ( -0.187 -1.356 -0.344) 1.412 12.056 ( -2.852 0.693 4.582) 5.441 12.077 ( -1.587 -1.784 2.892) 3.751 12.198 ( 0.271 5.299 -1.566) 5.533 12.299 ( -0.704 -5.451 -1.206) 5.627 14.750 ( -1.519 1.559 1.706) 2.765 14.788 ( -0.800 -2.639 0.673) 2.839 14.932 ( 0.052 4.994 -2.445) 5.561 15.006 ( -0.444 -3.068 -2.896) 4.242 15.485 ( 0.432 0.174 0.016) 0.466 15.488 ( 0.238 -0.065 -0.053) 0.252 15.502 ( -0.318 0.398 0.079) 0.515 15.511 ( -0.192 -0.500 -0.032) 0.537 16.489 ( -0.512 5.342 1.476) 5.566 16.590 ( -0.576 -4.476 -0.238) 4.519 16.669 ( 1.981 4.312 -0.318) 4.756 16.756 ( 1.349 -4.097 -0.644) 4.361 17.171 ( 0.193 0.345 0.140) 0.420 17.180 ( 0.176 -0.603 0.107) 0.637 17.197 ( 0.062 0.218 0.062) 0.235 17.200 ( -0.246 -0.105 -0.232) 0.354 34.254 ( 0.032 0.124 -0.113) 0.171 34.256 ( -0.006 -0.064 -0.080) 0.103 34.260 ( 0.062 0.074 -0.015) 0.097 34.262 ( -0.024 -0.117 0.078) 0.143======================= Grid point 48 (30/32) =======================q-point: (-0.50 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.569 ( -3.389 5.699 -2.133) 6.965 0.627 ( 1.615 5.182 -5.294) 7.583 0.712 ( -0.278 -4.281 0.273) 4.299 0.791 ( -1.809 -1.627 -3.933) 4.625 0.801 ( -1.650 -5.306 -0.890) 5.627 0.821 ( -5.900 -2.404 -1.416) 6.527 0.870 ( -1.960 3.887 1.582) 4.631 0.929 ( 0.157 -0.687 0.229) 0.741 0.951 ( 6.177 -0.894 -4.560) 7.730 0.953 ( -0.948 0.483 -1.386) 1.747 1.013 ( -0.115 2.208 1.107) 2.473 1.032 ( 1.338 0.764 1.344) 2.045 1.115 ( -3.629 1.630 1.567) 4.276 1.146 ( -0.998 -0.369 3.033) 3.214 1.169 ( -0.020 2.574 -0.018) 2.574 1.227 ( 1.647 -0.008 1.698) 2.366 1.245 ( 0.254 -0.009 0.172) 0.307 1.264 ( -2.044 -2.598 1.803) 3.765 1.288 ( 1.606 1.789 -3.390) 4.156 1.342 ( 1.522 -1.811 -1.529) 2.816 1.367 ( 3.069 0.788 1.487) 3.500 1.382 ( 1.197 0.026 0.841) 1.463 1.464 ( -1.441 0.597 3.326) 3.674 1.474 ( -3.708 1.193 1.637) 4.225 1.480 ( 0.162 -0.954 2.055) 2.272 1.511 ( -2.518 -2.338 0.483) 3.470 1.523 ( -0.537 0.837 1.164) 1.532 1.536 ( -2.389 -0.844 2.629) 3.651 1.556 ( 0.322 0.639 1.345) 1.524 1.577 ( 1.300 -1.135 0.783) 1.895 1.621 ( 4.376 2.186 -1.923) 5.256 1.641 ( -1.114 0.399 0.005) 1.184 1.672 ( 2.715 -0.913 -2.346) 3.703 1.701 ( 1.476 -2.610 -0.278) 3.012 1.729 ( -0.901 0.145 -3.046) 3.179 1.736 ( -1.482 0.443 -0.225) 1.564 1.788 ( -0.043 -0.418 2.019) 2.062 1.789 ( -0.609 -0.427 0.948) 1.205 1.829 ( 1.621 0.160 -0.636) 1.749 1.850 ( -1.618 -2.088 2.442) 3.598 1.896 ( 1.178 0.915 -0.486) 1.569 1.903 ( 1.396 1.752 -1.287) 2.583 1.928 ( 0.508 -0.700 -0.122) 0.874 1.980 ( 1.494 -2.966 -1.964) 3.858 2.065 ( -2.361 1.577 1.759) 3.340 2.071 ( -2.233 1.500 3.048) 4.066 2.100 ( -0.394 1.869 -0.009) 1.910 2.116 ( 0.308 0.886 0.744) 1.197 2.133 ( -2.780 -0.897 3.650) 4.675 2.167 ( -1.795 -1.100 3.292) 3.907 2.180 ( -1.589 -0.840 0.905) 2.012 2.216 ( 0.137 -2.124 1.140) 2.414 2.245 ( -1.140 1.605 0.203) 1.979 2.290 ( -2.897 -0.057 2.756) 3.999 2.322 ( -0.533 0.335 -0.396) 0.744 2.352 ( 0.368 1.396 1.128) 1.832 2.369 ( 1.317 1.372 -4.478) 4.865 2.397 ( 0.406 -0.378 -2.668) 2.725 2.410 ( 1.635 -0.475 -1.920) 2.566 2.459 ( 3.769 -2.691 -7.601) 8.900 2.502 ( -0.372 0.712 2.057) 2.208 2.525 ( -1.450 -1.422 3.258) 3.839 2.555 ( -1.330 2.801 -1.798) 3.585 2.600 ( 0.003 -1.810 -1.057) 2.096 2.624 ( -0.156 -0.424 -0.271) 0.527 2.630 ( 0.010 -0.283 -0.635) 0.695 2.665 ( -0.868 1.162 2.584) 2.963 2.687 ( -1.114 -0.427 2.420) 2.698 2.722 ( 2.100 0.996 -1.385) 2.706 2.738 ( 1.293 -0.676 0.143) 1.466 2.772 ( 2.657 0.256 -5.065) 5.725 2.799 ( 3.303 -1.785 -5.008) 6.259 2.884 ( -0.413 1.476 0.160) 1.541 2.898 ( 0.775 0.599 -1.188) 1.540 2.912 ( -0.456 -0.760 0.527) 1.031 2.925 ( 0.159 -1.272 -0.874) 1.552 3.017 ( 0.698 2.318 1.026) 2.629 3.036 ( -0.334 1.467 -0.124) 1.510 3.078 ( -0.766 1.472 1.208) 2.052 3.094 ( -0.800 -0.904 0.416) 1.276 3.151 ( -1.216 0.039 0.598) 1.356 3.158 ( 0.016 0.385 0.732) 0.827 3.177 ( -1.090 1.488 1.916) 2.660 3.198 ( -0.034 -0.374 1.641) 1.684 3.216 ( 0.027 1.197 0.662) 1.368 3.231 ( -0.399 -1.370 0.913) 1.694 3.240 ( 0.029 0.482 -0.398) 0.625 3.265 ( -0.396 0.525 -1.420) 1.564 3.280 ( 1.144 -1.133 -2.136) 2.675 3.281 ( 1.772 -2.842 -2.557) 4.214 3.358 ( 0.936 1.069 1.260) 1.899 3.383 ( 0.579 -1.604 -0.276) 1.728 3.390 ( -0.548 1.065 -0.570) 1.326 3.406 ( 1.198 0.273 -0.384) 1.288 3.418 ( -0.865 0.507 -1.888) 2.138 3.443 ( -1.286 -1.039 -2.858) 3.302 3.472 ( 0.008 0.526 1.052) 1.176 3.488 ( 0.089 -1.050 -0.081) 1.057 3.515 ( 0.187 0.492 -0.205) 0.564 3.537 ( -0.017 -1.472 -2.018) 2.498 3.649 ( 1.385 0.520 0.578) 1.588 3.660 ( -0.157 -0.264 -0.373) 0.483 3.689 ( 0.975 1.694 0.563) 2.034 3.697 ( -1.293 1.116 -0.130) 1.713 3.713 ( 0.980 -0.767 0.892) 1.531 3.734 ( -1.259 -2.458 -0.972) 2.927 3.811 ( 0.783 0.305 1.638) 1.841 3.824 ( 0.746 -0.449 0.202) 0.893 3.837 ( -0.196 0.106 2.819) 2.828 3.856 ( 0.059 -0.749 3.065) 3.156 3.873 ( 0.301 -0.297 0.486) 0.645 3.889 ( -1.032 0.381 -0.108) 1.105 3.897 ( 0.461 -0.918 -0.464) 1.127 3.908 ( -0.269 -0.223 -2.586) 2.610 3.938 ( 0.104 1.619 2.079) 2.637 3.954 ( 0.172 0.130 1.191) 1.211 3.980 ( 0.662 0.615 0.170) 0.920 3.993 ( 0.021 -0.034 -1.227) 1.228 4.020 ( 0.732 0.164 -0.317) 0.814 4.027 ( -0.366 -0.172 0.174) 0.440 4.047 ( -0.108 0.158 0.355) 0.404 4.063 ( 0.808 -1.403 0.803) 1.807 4.084 ( -0.672 -0.792 -1.778) 2.060 4.091 ( -0.782 -1.164 0.280) 1.430 4.125 ( 0.554 1.192 -1.211) 1.787 4.141 ( 0.040 -0.094 -2.040) 2.043 4.175 ( -0.003 1.575 0.925) 1.827 4.193 ( -0.794 2.189 0.159) 2.334 4.212 ( 0.762 -0.346 1.374) 1.609 4.226 ( -1.318 0.147 0.663) 1.483 4.244 ( -0.884 0.362 1.127) 1.477 4.256 ( -0.368 -1.718 1.046) 2.045 4.315 ( -0.231 2.051 0.920) 2.260 4.341 ( 0.140 -0.267 -0.709) 0.770 4.356 ( 0.117 0.096 2.297) 2.302 4.370 ( 0.860 -1.317 1.274) 2.025 4.421 ( -0.379 0.538 -1.148) 1.324 4.433 ( 0.914 -0.447 -1.947) 2.197 4.528 ( -0.448 1.368 1.577) 2.135 4.544 ( -2.325 -0.028 -0.100) 2.327 4.572 ( 1.468 -0.374 -0.752) 1.691 4.575 ( -0.314 -0.667 -1.232) 1.436 4.622 ( -0.164 0.431 -0.174) 0.493 4.640 ( 0.329 -0.049 0.206) 0.391 4.642 ( -1.474 -1.033 -0.445) 1.855 4.648 ( 0.476 -0.443 0.592) 0.879 4.688 ( 0.681 0.755 -2.275) 2.492 4.699 ( -1.042 -0.360 -2.430) 2.668 4.710 ( 2.569 1.142 3.522) 4.506 4.740 ( 1.677 -1.965 2.680) 3.722 4.782 ( -2.098 0.937 -1.838) 2.942 4.797 ( -1.432 -0.472 -1.292) 1.985 4.910 ( -0.585 1.083 3.531) 3.739 4.931 ( -0.281 -1.046 1.390) 1.762 4.968 ( -1.423 1.165 -0.404) 1.883 4.983 ( -1.460 -0.383 -1.413) 2.068 5.072 ( 0.925 3.638 1.294) 3.970 5.095 ( 0.156 3.139 1.344) 3.419 5.122 ( 0.963 -0.153 -0.173) 0.990 5.162 ( -0.432 -2.720 0.388) 2.781 5.186 ( 1.116 -0.023 -0.982) 1.487 5.226 ( 0.971 -1.817 -1.503) 2.550 5.263 ( 0.053 0.909 1.558) 1.804 5.302 ( -0.441 -3.676 -2.877) 4.689 5.580 ( 1.197 0.580 0.691) 1.499 5.585 ( -0.292 0.178 0.227) 0.411 5.645 ( 0.744 0.316 -0.056) 0.810 5.656 ( -1.378 -0.707 -1.036) 1.863 12.076 ( -1.037 1.165 4.363) 4.634 12.104 ( 0.157 -1.461 3.919) 4.185 12.177 ( -0.327 2.842 -0.671) 2.938 12.240 ( -1.915 -3.534 -3.846) 5.564 14.769 ( 0.358 1.327 2.497) 2.850 14.799 ( 0.740 -1.917 0.297) 2.076 14.914 ( 0.821 2.805 -0.882) 3.053 14.955 ( -0.807 -1.575 -3.979) 4.355 15.489 ( -0.036 0.020 0.010) 0.043 15.489 ( -0.023 -0.003 -0.018) 0.030 15.503 ( 0.225 0.224 0.215) 0.383 15.507 ( -0.106 -0.220 -0.195) 0.313 16.519 ( 0.971 4.628 2.511) 5.354 16.570 ( -0.579 0.453 -2.163) 2.284 16.707 ( 1.807 -0.098 1.551) 2.383 16.756 ( 0.870 -4.023 -2.753) 4.952 17.177 ( 0.165 0.176 0.286) 0.374 17.182 ( -0.163 -0.343 -0.111) 0.396 17.196 ( 0.081 0.160 0.028) 0.182 17.199 ( 0.140 -0.188 -0.240) 0.336 34.254 ( 0.001 0.111 -0.034) 0.116 34.255 ( 0.004 0.101 -0.059) 0.117 34.261 ( -0.070 -0.071 0.019) 0.101 34.262 ( 0.109 -0.100 -0.027) 0.150======================= Grid point 49 (31/32) =======================q-point: (-0.33 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 46Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.496 ( -5.989 8.284 6.299) 12.007 0.571 ( -5.315 10.035 -0.723) 11.378 0.657 ( -3.531 -7.944 1.899) 8.899 0.725 ( -5.938 -6.766 5.047) 10.320 0.770 ( 1.314 -0.236 3.039) 3.319 0.825 ( 1.926 -4.156 -0.185) 4.585 0.854 ( -3.185 1.996 0.484) 3.790 0.885 ( -3.754 -0.433 1.125) 3.943 0.990 ( 3.519 3.255 -1.158) 4.932 1.018 ( 0.990 2.430 0.366) 2.649 1.032 ( 1.513 1.433 -2.314) 3.114 1.056 ( 4.146 -0.474 0.309) 4.184 1.079 ( -2.433 -0.881 2.128) 3.350 1.121 ( -3.315 -3.869 -0.874) 5.169 1.173 ( -4.104 2.822 5.500) 7.420 1.223 ( -4.290 -0.917 2.035) 4.836 1.259 ( 4.207 4.595 -3.064) 6.943 1.284 ( 1.537 1.127 2.582) 3.209 1.325 ( 4.242 -0.361 -1.865) 4.647 1.344 ( 3.206 -0.239 -2.290) 3.947 1.365 ( -4.678 -0.033 -0.792) 4.745 1.401 ( -4.192 -1.538 1.971) 4.881 1.424 ( 0.577 -0.928 -0.644) 1.268 1.438 ( 3.637 -1.191 -4.098) 5.606 1.502 ( -1.793 0.073 0.432) 1.846 1.505 ( -0.288 0.829 1.821) 2.022 1.522 ( 0.589 -1.192 -0.556) 1.441 1.541 ( 1.828 -2.683 2.356) 4.012 1.587 ( 0.356 1.577 -0.039) 1.617 1.606 ( 0.518 -0.480 -1.158) 1.357 1.621 ( 0.306 0.202 -3.182) 3.203 1.647 ( 2.657 -1.211 -4.128) 5.056 1.698 ( -0.112 0.562 1.276) 1.399 1.703 ( 1.812 0.900 1.423) 2.474 1.730 ( 3.848 0.175 0.675) 3.911 1.762 ( 1.141 -2.121 1.037) 2.622 1.813 ( 1.823 1.068 0.821) 2.266 1.825 ( 2.372 -0.368 -0.179) 2.407 1.848 ( 1.575 0.941 -2.077) 2.771 1.868 ( 1.649 -0.503 0.028) 1.724 1.887 ( 0.543 0.253 -0.286) 0.664 1.928 ( -0.705 -2.270 0.219) 2.387 1.938 ( 2.677 0.753 -1.499) 3.159 1.951 ( -0.174 -2.513 -3.279) 4.135 2.018 ( -3.402 1.889 1.340) 4.116 2.050 ( -3.748 -1.466 1.511) 4.298 2.096 ( -2.700 1.144 1.990) 3.544 2.108 ( -2.626 -0.022 2.274) 3.474 2.149 ( 0.933 2.204 4.128) 4.771 2.181 ( 0.385 1.674 -0.068) 1.719 2.208 ( -0.206 -0.358 -0.875) 0.968 2.212 ( 0.977 -3.106 3.892) 5.074 2.254 ( -1.542 2.948 3.979) 5.187 2.279 ( -2.199 1.810 -1.147) 3.070 2.288 ( -3.173 0.217 5.584) 6.426 2.325 ( -1.721 -1.323 -0.243) 2.185 2.358 ( -0.986 -0.089 -2.697) 2.873 2.386 ( 1.101 -1.109 -1.289) 2.026 2.430 ( 3.246 0.964 -3.226) 4.678 2.454 ( 2.615 -0.713 -2.068) 3.409 2.502 ( -2.658 1.304 1.565) 3.349 2.522 ( -0.478 -1.712 1.768) 2.506 2.562 ( 0.150 -0.096 2.188) 2.195 2.573 ( -0.283 -1.500 -2.383) 2.830 2.612 ( -1.418 -0.305 1.105) 1.824 2.622 ( -1.510 -0.853 1.503) 2.295 2.679 ( -0.112 0.103 0.788) 0.803 2.691 ( 0.429 -0.127 -0.707) 0.837 2.732 ( 1.265 1.749 -1.626) 2.703 2.756 ( 1.380 -0.098 -1.195) 1.828 2.766 ( 3.222 0.421 -5.299) 6.216 2.796 ( 3.363 -1.535 -4.879) 6.121 2.880 ( -0.221 1.091 0.359) 1.170 2.899 ( 0.848 0.394 -1.046) 1.403 2.923 ( 0.752 -1.062 0.740) 1.497 2.929 ( 0.851 -0.534 -0.298) 1.048 2.996 ( -2.515 2.808 -1.110) 3.930 3.017 ( -1.801 1.074 0.769) 2.233 3.082 ( -1.073 -0.146 0.603) 1.239 3.099 ( 0.703 -0.886 1.604) 1.963 3.133 ( -1.099 1.736 0.530) 2.122 3.171 ( -0.312 -0.297 1.037) 1.123 3.184 ( -0.370 0.917 0.848) 1.303 3.198 ( -1.076 -0.516 -0.248) 1.219 3.221 ( -0.366 0.882 0.133) 0.965 3.235 ( 0.079 -1.433 0.717) 1.605 3.245 ( 0.616 0.417 1.430) 1.612 3.259 ( 0.332 0.707 0.189) 0.803 3.276 ( 1.330 0.230 -1.310) 1.880 3.296 ( 1.689 -3.271 -1.866) 4.127 3.359 ( -0.461 -0.050 -1.098) 1.192 3.366 ( 0.137 0.323 -2.159) 2.188 3.389 ( -0.210 -0.088 -0.119) 0.257 3.400 ( 0.113 0.106 -0.773) 0.788 3.427 ( 1.566 0.367 1.735) 2.366 3.452 ( 1.768 -0.554 1.210) 2.213 3.485 ( 0.605 -0.359 -0.252) 0.748 3.498 ( 1.315 -0.595 0.071) 1.445 3.513 ( -0.198 0.317 -0.381) 0.534 3.532 ( 0.880 -0.922 0.391) 1.333 3.652 ( 0.997 1.919 -0.918) 2.349 3.665 ( -0.697 1.038 -0.959) 1.576 3.679 ( -0.058 0.486 -0.133) 0.507 3.707 ( 0.613 -1.946 -0.557) 2.115 3.729 ( 2.243 1.092 0.758) 2.607 3.754 ( 1.685 -1.290 0.919) 2.312 3.803 ( -1.231 0.079 -1.833) 2.210 3.817 ( -1.168 -1.344 -1.494) 2.324 3.847 ( -1.300 0.288 0.124) 1.337 3.870 ( 0.212 -0.375 -0.285) 0.516 3.878 ( 0.355 -1.523 0.521) 1.649 3.884 ( 0.435 -0.227 -0.679) 0.838 3.901 ( 0.869 0.616 1.611) 1.931 3.908 ( 0.725 -0.561 0.235) 0.946 3.949 ( -0.585 1.644 -0.209) 1.757 3.960 ( -0.105 1.191 0.454) 1.279 3.973 ( -0.464 0.279 -0.847) 1.005 3.977 ( -0.545 -0.264 -0.972) 1.145 4.004 ( -1.524 1.547 -1.261) 2.511 4.032 ( 0.087 -0.479 0.287) 0.565 4.044 ( -1.398 -0.583 -0.123) 1.520 4.068 ( 0.364 -2.167 0.142) 2.202 4.084 ( 1.152 0.236 0.784) 1.414 4.102 ( 0.580 -0.095 1.345) 1.468 4.109 ( -0.277 -0.465 -2.201) 2.267 4.122 ( 0.174 -0.657 1.696) 1.827 4.173 ( -0.644 2.022 0.087) 2.124 4.208 ( -0.782 -0.203 -0.208) 0.835 4.213 ( 1.400 1.637 0.630) 2.245 4.238 ( 0.516 1.986 1.160) 2.357 4.258 ( -0.104 -0.989 0.663) 1.196 4.273 ( 1.317 -0.604 0.128) 1.454 4.320 ( -0.890 0.363 0.938) 1.343 4.332 ( -0.641 -0.318 -0.598) 0.932 4.349 ( -1.211 0.491 -1.170) 1.754 4.368 ( -0.426 -0.941 -0.908) 1.375 4.407 ( -0.719 0.569 0.614) 1.103 4.423 ( 0.040 -1.225 -0.333) 1.271 4.507 ( -2.248 0.448 1.427) 2.700 4.520 ( -2.247 -0.961 1.678) 2.965 4.572 ( 0.301 1.155 -0.309) 1.233 4.598 ( 0.920 -1.555 -0.365) 1.844 4.627 ( -0.487 0.827 0.218) 0.984 4.638 ( 0.198 0.447 -0.242) 0.546 4.643 ( -0.055 -0.026 -1.172) 1.173 4.662 ( 2.074 -0.989 0.715) 2.406 4.689 ( 0.953 2.021 0.335) 2.259 4.700 ( -1.017 1.025 -2.158) 2.597 4.720 ( 2.144 -0.839 0.823) 2.445 4.737 ( -2.376 -2.073 -2.745) 4.181 4.786 ( 0.795 0.448 1.520) 1.772 4.798 ( 1.958 -0.696 3.176) 3.795 4.924 ( -1.074 0.232 -0.535) 1.222 4.928 ( -0.552 -0.135 -0.358) 0.672 4.975 ( 1.277 0.806 3.506) 3.817 4.984 ( 1.124 0.119 3.131) 3.329 5.080 ( -1.065 3.453 -0.404) 3.636 5.105 ( 1.041 3.982 -0.759) 4.185 5.132 ( 0.657 0.529 -3.815) 3.907 5.144 ( -0.479 -0.736 2.077) 2.255 5.180 ( -1.885 -2.264 -2.635) 3.952 5.226 ( 1.722 -4.830 -0.680) 5.173 5.260 ( -1.183 0.612 0.100) 1.336 5.287 ( 0.077 -2.089 1.124) 2.374 5.567 ( -0.729 1.131 -0.458) 1.421 5.590 ( -0.578 -1.336 -0.497) 1.538 5.645 ( 1.025 1.728 0.105) 2.012 5.673 ( 1.378 -1.269 0.473) 1.932 12.104 ( -0.611 2.582 2.022) 3.336 12.132 ( 1.864 0.744 -1.415) 2.456 12.177 ( -0.994 -0.619 -2.006) 2.323 12.225 ( 1.367 -5.397 6.117) 8.271 14.795 ( 0.718 0.450 -1.224) 1.489 14.800 ( 1.025 0.041 -0.832) 1.320 14.909 ( -0.210 2.675 -1.518) 3.083 14.950 ( 1.876 -1.564 2.109) 3.227 15.485 ( -0.370 0.038 -0.012) 0.372 15.486 ( -0.278 -0.028 0.024) 0.280 15.505 ( 0.151 0.308 -0.190) 0.392 15.510 ( 0.325 -0.220 0.088) 0.402 16.531 ( -0.376 3.932 -2.449) 4.647 16.565 ( 1.406 2.376 1.822) 3.307 16.716 ( -0.495 -1.107 -4.239) 4.410 16.753 ( 1.905 -3.012 -0.533) 3.603 17.174 ( -0.326 0.185 -0.173) 0.413 17.181 ( -0.087 -0.483 0.124) 0.506 17.199 ( 0.283 0.112 -0.149) 0.338 17.200 ( 0.234 0.066 -0.185) 0.306 34.252 ( -0.091 0.142 0.022) 0.170 34.255 ( -0.041 -0.120 0.005) 0.127 34.260 ( 0.013 0.182 -0.023) 0.184 34.263 ( 0.095 -0.165 -0.057) 0.199======================= Grid point 50 (32/32) =======================q-point: (-0.17 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 45Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.508 ( -5.390 12.016 6.560) 14.713 0.544 ( -1.359 8.425 11.296) 14.157 0.645 ( -0.363 -2.697 3.145) 4.159 0.723 ( -3.605 -8.432 6.662) 11.335 0.804 ( -0.173 1.150 -1.819) 2.159 0.825 ( -1.911 -0.460 -1.424) 2.427 0.869 ( 0.640 -3.228 7.692) 8.366 0.880 ( 2.448 -4.869 2.143) 5.856 0.965 ( -3.093 0.603 -0.199) 3.157 0.991 ( -3.644 -1.964 0.500) 4.169 1.045 ( 0.638 0.719 -0.606) 1.137 1.067 ( -1.151 0.548 1.740) 2.157 1.084 ( 0.767 2.702 1.009) 2.985 1.101 ( 1.491 -0.451 -0.163) 1.566 1.210 ( 0.953 0.291 0.262) 1.030 1.222 ( -0.447 1.348 7.296) 7.433 1.255 ( -1.575 2.401 -2.164) 3.596 1.296 ( -1.839 0.021 -1.557) 2.410 1.304 ( -1.127 -1.308 -0.689) 1.859 1.334 ( -2.410 -2.255 1.421) 3.594 1.367 ( 3.392 3.054 -3.835) 5.962 1.416 ( 0.659 0.342 -0.434) 0.860 1.421 ( 1.763 -1.755 -3.577) 4.357 1.444 ( 3.010 -0.925 -1.400) 3.446 1.477 ( -0.860 3.475 0.522) 3.618 1.505 ( -0.654 1.370 -3.230) 3.569 1.525 ( -0.757 1.488 -0.368) 1.710 1.548 ( -1.495 -1.488 -2.058) 2.947 1.561 ( -0.397 -2.038 -3.517) 4.084 1.589 ( 3.353 -1.565 -1.219) 3.896 1.614 ( 1.543 -1.780 -4.283) 4.888 1.637 ( 1.828 -4.318 -0.056) 4.689 1.743 ( -0.229 1.271 -1.304) 1.835 1.761 ( -3.161 -0.265 1.864) 3.680 1.775 ( 2.992 1.931 4.098) 5.429 1.792 ( 1.913 -0.154 1.814) 2.641 1.824 ( 1.123 1.616 0.171) 1.975 1.846 ( 1.697 1.390 -3.475) 4.110 1.860 ( -1.049 2.695 1.153) 3.113 1.884 ( 3.279 -2.111 0.733) 3.968 1.902 ( 0.824 -1.407 -1.989) 2.572 1.920 ( 2.532 -1.014 -0.434) 2.762 1.951 ( 1.950 -0.126 -1.048) 2.217 1.961 ( 2.354 0.159 -2.364) 3.340 1.990 ( -1.330 0.335 0.123) 1.377 2.008 ( -2.593 -2.110 1.290) 3.583 2.087 ( -3.447 0.272 3.577) 4.975 2.103 ( -0.493 -0.315 1.652) 1.753 2.176 ( 0.294 1.069 0.396) 1.178 2.186 ( -0.644 1.470 0.341) 1.641 2.209 ( -2.900 1.390 3.086) 4.457 2.228 ( -1.143 1.127 -0.753) 1.773 2.269 ( 0.026 -1.310 3.484) 3.722 2.273 ( -0.996 0.387 3.208) 3.381 2.300 ( -2.236 0.657 5.120) 5.626 2.307 ( -2.223 0.841 2.149) 3.204 2.340 ( -0.053 -1.005 1.116) 1.502 2.375 ( 1.727 -4.528 -2.205) 5.324 2.443 ( 2.964 2.470 -3.717) 5.357 2.474 ( -0.981 0.116 0.718) 1.222 2.488 ( 0.025 1.051 1.744) 2.037 2.533 ( -0.212 -2.177 0.621) 2.274 2.548 ( -0.073 -0.232 -0.573) 0.623 2.581 ( -0.769 -1.060 2.021) 2.409 2.612 ( -0.955 -1.127 1.896) 2.404 2.624 ( -1.007 -1.737 2.297) 3.051 2.675 ( 0.616 0.525 -1.943) 2.105 2.681 ( 0.250 0.472 -1.928) 2.000 2.727 ( 0.966 1.930 -2.543) 3.335 2.751 ( 1.375 -0.670 -3.804) 4.100 2.761 ( 2.468 1.596 -3.666) 4.699 2.796 ( 2.975 -1.179 -4.977) 5.917 2.886 ( 0.027 1.314 0.611) 1.449 2.906 ( 1.256 0.416 -0.660) 1.479 2.930 ( -1.544 0.770 -0.045) 1.726 2.944 ( -0.091 -0.737 1.000) 1.246 2.953 ( -0.217 2.868 -0.495) 2.918 2.991 ( -0.713 -1.057 -1.103) 1.686 3.071 ( -1.140 -0.012 0.391) 1.205 3.118 ( 0.566 -3.856 0.838) 3.986 3.141 ( 0.111 2.146 1.235) 2.478 3.162 ( -1.090 1.371 -0.158) 1.759 3.181 ( -0.483 -1.475 0.489) 1.627 3.194 ( -1.422 -0.252 2.171) 2.607 3.215 ( -1.016 2.041 0.793) 2.414 3.222 ( -0.705 -0.755 -0.547) 1.169 3.259 ( 0.217 0.243 -0.124) 0.349 3.273 ( -0.282 1.494 1.347) 2.031 3.286 ( 0.983 -0.406 -0.749) 1.301 3.310 ( 0.746 -2.444 0.332) 2.577 3.332 ( 1.135 1.086 -3.304) 3.658 3.350 ( 1.977 -0.707 -4.325) 4.808 3.396 ( 0.238 0.585 0.833) 1.045 3.410 ( 0.106 -0.749 1.409) 1.599 3.458 ( -0.658 0.140 0.184) 0.698 3.462 ( -0.754 -0.125 -0.271) 0.811 3.499 ( 1.242 1.261 0.931) 2.000 3.518 ( 1.039 0.742 0.262) 1.303 3.539 ( 0.367 -2.307 1.404) 2.725 3.546 ( 1.250 -1.437 0.934) 2.121 3.637 ( -0.152 1.368 -1.274) 1.876 3.658 ( -0.094 -0.546 -0.649) 0.854 3.696 ( 2.342 2.877 0.840) 3.803 3.732 ( 2.128 0.125 -1.396) 2.548 3.748 ( 0.494 -0.468 -1.322) 1.487 3.764 ( -0.657 -0.591 -0.617) 1.077 3.769 ( 0.376 -1.612 -2.098) 2.672 3.800 ( 0.078 -2.554 1.385) 2.907 3.826 ( 0.331 2.355 -0.419) 2.415 3.866 ( -0.393 -0.679 -0.861) 1.165 3.872 ( -0.090 -0.572 -0.774) 0.967 3.878 ( -0.400 -0.471 -1.994) 2.088 3.915 ( -0.179 1.197 0.677) 1.387 3.923 ( -0.223 0.598 0.394) 0.750 3.934 ( -0.055 0.933 -1.880) 2.099 3.944 ( 0.116 -0.809 -1.356) 1.583 3.979 ( -1.472 1.992 0.666) 2.565 3.987 ( 1.027 1.089 2.176) 2.641 3.996 ( 0.784 0.883 0.587) 1.319 4.024 ( -0.630 -2.422 1.255) 2.800 4.028 ( -0.665 -0.153 -0.503) 0.848 4.041 ( -0.184 -0.752 -1.258) 1.477 4.090 ( 0.376 0.721 -0.973) 1.268 4.099 ( -0.141 -1.015 0.422) 1.109 4.147 ( 0.751 0.460 1.956) 2.145 4.153 ( 0.262 -0.185 -0.800) 0.862 4.163 ( 0.053 0.120 0.143) 0.194 4.191 ( -0.769 -1.342 -1.120) 1.910 4.223 ( -1.724 2.339 -1.440) 3.243 4.229 ( 0.027 2.261 -0.062) 2.262 4.254 ( -0.061 0.793 0.074) 0.799 4.276 ( -0.933 -2.453 -1.077) 2.837 4.299 ( 0.255 0.461 0.823) 0.977 4.323 ( -0.316 -1.590 0.152) 1.628 4.349 ( 0.372 1.006 0.928) 1.418 4.360 ( 0.642 -0.279 -0.911) 1.149 4.419 ( -0.368 0.896 2.081) 2.295 4.444 ( 0.921 -1.537 1.857) 2.580 4.477 ( -2.895 0.348 -0.083) 2.917 4.498 ( -1.446 -1.308 0.506) 2.015 4.563 ( -2.607 0.176 0.160) 2.618 4.568 ( -2.064 -0.181 -0.565) 2.148 4.610 ( 0.092 0.640 0.544) 0.845 4.630 ( 0.428 -1.157 -0.292) 1.268 4.646 ( -0.167 1.674 0.176) 1.691 4.671 ( -0.588 -0.612 -0.285) 0.895 4.682 ( 1.381 1.993 0.090) 2.426 4.720 ( 1.288 0.038 0.760) 1.496 4.729 ( 0.485 -0.625 0.960) 1.244 4.758 ( 1.359 -1.580 1.408) 2.515 4.811 ( 0.239 1.834 1.209) 2.209 4.852 ( 0.488 -2.296 1.843) 2.984 4.909 ( 0.805 0.411 -1.135) 1.451 4.915 ( 0.590 -0.049 -1.461) 1.577 5.028 ( 1.736 0.720 -2.295) 2.966 5.043 ( 1.463 -0.822 0.144) 1.685 5.065 ( -2.488 1.613 3.684) 4.728 5.092 ( -1.571 -0.507 -2.644) 3.117 5.098 ( 0.219 1.454 -1.363) 2.005 5.106 ( -0.594 1.751 -1.162) 2.184 5.179 ( 1.757 0.334 1.591) 2.394 5.237 ( -0.781 -3.745 0.451) 3.852 5.264 ( 1.674 -0.087 -0.167) 1.685 5.294 ( -0.549 -2.559 0.954) 2.786 5.567 ( 0.876 0.924 0.494) 1.366 5.586 ( 0.417 -1.230 0.536) 1.405 5.656 ( 0.212 1.488 -0.790) 1.698 5.681 ( -0.414 -1.198 -0.733) 1.464 12.108 ( -0.357 2.041 0.767) 2.209 12.138 ( 1.659 -1.146 -2.827) 3.472 12.170 ( 0.236 2.779 1.221) 3.045 12.270 ( -3.309 -8.130 2.048) 9.013 14.800 ( 2.084 0.759 -0.993) 2.430 14.818 ( 2.194 -0.822 -1.103) 2.590 14.924 ( 1.800 4.892 1.452) 5.411 14.993 ( 0.311 -2.600 1.489) 3.012 15.479 ( -0.281 0.195 -0.009) 0.342 15.482 ( -0.283 -0.134 0.041) 0.316 15.508 ( 0.287 0.390 -0.003) 0.484 15.514 ( 0.156 -0.260 -0.030) 0.305 16.519 ( 1.617 4.753 -1.075) 5.134 16.609 ( 2.828 -2.062 0.353) 3.517 16.646 ( -2.415 5.084 -3.109) 6.430 16.753 ( 0.001 -3.849 -2.620) 4.656 17.170 ( -0.090 0.301 -0.072) 0.323 17.178 ( -0.198 -0.569 -0.137) 0.618 17.199 ( 0.068 0.392 -0.181) 0.437 17.204 ( 0.237 -0.120 -0.003) 0.266 34.253 ( 0.047 0.054 0.133) 0.151 34.255 ( -0.057 -0.112 0.113) 0.169 34.260 ( 0.066 0.166 -0.081) 0.196 34.263 ( -0.023 -0.109 -0.121) 0.165=================== 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 3/17280 10.0 12.724 13.234 13.995 0.000 1.767 0.000 3/17280 20.0 3.358 3.202 3.834 0.000 0.259 0.000 3/17280 30.0 1.798 1.641 2.070 0.000 0.080 0.000 3/17280 40.0 1.215 1.082 1.407 0.000 0.029 0.000 3/17280 50.0 0.918 0.806 1.068 0.000 0.010 0.000 3/17280 60.0 0.740 0.643 0.864 0.000 0.002 0.000 3/17280 70.0 0.621 0.537 0.727 0.000 -0.002 0.000 3/17280 80.0 0.537 0.462 0.630 0.000 -0.003 0.000 3/17280 90.0 0.474 0.407 0.556 0.000 -0.004 0.000 3/17280 100.0 0.425 0.364 0.499 0.000 -0.004 0.000 3/17280 110.0 0.385 0.329 0.453 0.000 -0.004 0.000 3/17280 120.0 0.353 0.301 0.415 0.000 -0.004 0.000 3/17280 130.0 0.326 0.278 0.383 0.000 -0.004 0.000 3/17280 140.0 0.303 0.258 0.356 0.000 -0.004 0.000 3/17280 150.0 0.284 0.241 0.333 0.000 -0.004 0.000 3/17280 160.0 0.267 0.227 0.313 0.000 -0.003 0.000 3/17280 170.0 0.254 0.214 0.296 0.000 -0.003 0.000 3/17280 180.0 0.242 0.203 0.281 0.000 -0.002 0.000 3/17280 190.0 0.231 0.192 0.268 0.000 -0.001 0.000 3/17280 200.0 0.223 0.183 0.256 0.000 -0.000 0.000 3/17280 210.0 0.216 0.175 0.246 0.000 0.000 0.000 3/17280 220.0 0.210 0.168 0.237 0.000 0.001 0.000 3/17280 230.0 0.205 0.161 0.229 0.000 0.003 0.000 3/17280 240.0 0.201 0.155 0.222 0.000 0.004 0.000 3/17280 250.0 0.197 0.149 0.215 0.000 0.005 0.000 3/17280 260.0 0.194 0.143 0.210 0.000 0.006 0.000 3/17280 270.0 0.192 0.139 0.204 0.000 0.007 0.000 3/17280 280.0 0.190 0.134 0.200 0.000 0.008 0.000 3/17280 290.0 0.189 0.130 0.196 0.000 0.010 0.000 3/17280 300.0 0.188 0.126 0.192 0.000 0.011 0.000 3/17280 310.0 0.187 0.122 0.188 0.000 0.012 0.000 3/17280 320.0 0.186 0.118 0.185 0.000 0.013 0.000 3/17280 330.0 0.186 0.115 0.182 0.000 0.014 0.000 3/17280 340.0 0.185 0.112 0.179 0.000 0.015 0.000 3/17280 350.0 0.185 0.109 0.177 0.000 0.016 0.000 3/17280 360.0 0.185 0.106 0.174 0.000 0.017 0.000 3/17280 370.0 0.184 0.103 0.172 0.000 0.018 0.000 3/17280 380.0 0.184 0.101 0.170 0.000 0.019 0.000 3/17280 390.0 0.184 0.098 0.168 0.000 0.020 0.000 3/17280 400.0 0.183 0.096 0.166 0.000 0.020 0.000 3/17280 410.0 0.183 0.094 0.164 0.000 0.021 0.000 3/17280 420.0 0.183 0.092 0.162 0.000 0.022 0.000 3/17280 430.0 0.182 0.090 0.160 0.000 0.022 0.000 3/17280 440.0 0.182 0.088 0.158 0.000 0.023 0.000 3/17280 450.0 0.181 0.086 0.157 0.000 0.023 0.000 3/17280 460.0 0.181 0.084 0.155 0.000 0.024 0.000 3/17280 470.0 0.180 0.082 0.153 0.000 0.024 0.000 3/17280 480.0 0.179 0.081 0.152 0.000 0.025 0.000 3/17280 490.0 0.179 0.079 0.150 0.000 0.025 0.000 3/17280 500.0 0.178 0.078 0.149 0.000 0.025 0.000 3/17280 510.0 0.177 0.076 0.147 0.000 0.025 0.000 3/17280 520.0 0.176 0.075 0.145 0.000 0.026 0.000 3/17280 530.0 0.176 0.074 0.144 0.000 0.026 0.000 3/17280 540.0 0.175 0.072 0.143 0.000 0.026 0.000 3/17280 550.0 0.174 0.071 0.141 0.000 0.026 0.000 3/17280 560.0 0.173 0.070 0.140 0.000 0.027 0.000 3/17280 570.0 0.172 0.069 0.138 0.000 0.027 0.000 3/17280 580.0 0.171 0.068 0.137 0.000 0.027 0.000 3/17280 590.0 0.170 0.066 0.136 0.000 0.027 0.000 3/17280 600.0 0.169 0.065 0.134 0.000 0.027 0.000 3/17280 610.0 0.168 0.064 0.133 0.000 0.027 0.000 3/17280 620.0 0.167 0.063 0.132 0.000 0.027 0.000 3/17280 630.0 0.166 0.062 0.130 0.000 0.027 0.000 3/17280 640.0 0.165 0.062 0.129 0.000 0.027 0.000 3/17280 650.0 0.164 0.061 0.128 0.000 0.027 0.000 3/17280 660.0 0.163 0.060 0.127 0.000 0.027 0.000 3/17280 670.0 0.162 0.059 0.125 0.000 0.027 0.000 3/17280 680.0 0.161 0.058 0.124 0.000 0.027 0.000 3/17280 690.0 0.159 0.057 0.123 0.000 0.027 0.000 3/17280 700.0 0.158 0.056 0.122 0.000 0.027 0.000 3/17280 710.0 0.157 0.056 0.121 0.000 0.027 0.000 3/17280 720.0 0.156 0.055 0.120 0.000 0.027 0.000 3/17280 730.0 0.155 0.054 0.118 0.000 0.027 0.000 3/17280 740.0 0.154 0.054 0.117 0.000 0.027 0.000 3/17280 750.0 0.153 0.053 0.116 0.000 0.027 0.000 3/17280 760.0 0.152 0.052 0.115 0.000 0.026 0.000 3/17280 770.0 0.151 0.052 0.114 0.000 0.026 0.000 3/17280 780.0 0.150 0.051 0.113 0.000 0.026 0.000 3/17280 790.0 0.148 0.050 0.112 0.000 0.026 0.000 3/17280 800.0 0.147 0.050 0.111 0.000 0.026 0.000 3/17280 810.0 0.146 0.049 0.110 0.000 0.026 0.000 3/17280 820.0 0.145 0.048 0.109 0.000 0.026 0.000 3/17280 830.0 0.144 0.048 0.108 0.000 0.026 0.000 3/17280 840.0 0.143 0.047 0.107 0.000 0.026 0.000 3/17280 850.0 0.142 0.047 0.106 0.000 0.026 0.000 3/17280 860.0 0.141 0.046 0.105 0.000 0.025 0.000 3/17280 870.0 0.140 0.046 0.104 0.000 0.025 0.000 3/17280 880.0 0.139 0.045 0.104 0.000 0.025 0.000 3/17280 890.0 0.138 0.045 0.103 0.000 0.025 0.000 3/17280 900.0 0.137 0.044 0.102 0.000 0.025 0.000 3/17280 910.0 0.136 0.044 0.101 0.000 0.025 0.000 3/17280 920.0 0.135 0.043 0.100 0.000 0.025 0.000 3/17280 930.0 0.134 0.043 0.099 0.000 0.024 0.000 3/17280 940.0 0.133 0.042 0.098 0.000 0.024 0.000 3/17280 950.0 0.132 0.042 0.098 0.000 0.024 0.000 3/17280 960.0 0.131 0.042 0.097 0.000 0.024 0.000 3/17280 970.0 0.130 0.041 0.096 0.000 0.024 0.000 3/17280 980.0 0.129 0.041 0.095 0.000 0.024 0.000 3/17280 990.0 0.128 0.040 0.094 0.000 0.024 0.000 3/17280 1000.0 0.127 0.040 0.094 0.000 0.024 0.000 3/17280Thermal conductivity related properties were written into "kappa-m635.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 08:23:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|