----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:07:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.430353650000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.176777639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.044453380000000 Atomic positions (fractional): *1 O 0.94350073273084 0.84577977583804 0.74049547721248 15.999 2 O 0.55649926726916 0.15422022416196 0.24049547721248 15.999 3 O 0.44350073273084 0.65422022416196 0.75950452278752 15.999 4 O 0.05649926726916 0.34577977583804 0.25950452278752 15.999 5 O 0.05649926726916 0.15422022416196 0.25950452278752 15.999 6 O 0.44350073273084 0.84577977583804 0.75950452278752 15.999 7 O 0.55649926726916 0.34577977583804 0.24049547721248 15.999 8 O 0.94350073273084 0.65422022416196 0.74049547721248 15.999 *9 O 0.84182487892266 0.25000000000000 0.43676662698497 15.999 10 O 0.65817512107734 0.75000000000000 0.93676662698497 15.999 11 O 0.34182487892266 0.25000000000000 0.06323337301503 15.999 12 O 0.15817512107734 0.75000000000000 0.56323337301503 15.999 *13 O 0.88308859408802 0.92636204430697 0.08579952022716 15.999 14 O 0.61691140591198 0.07363795569303 0.58579952022716 15.999 15 O 0.38308859408802 0.57363795569303 0.41420047977284 15.999 16 O 0.11691140591198 0.42636204430697 0.91420047977284 15.999 *17 O 0.20403040758224 0.59989711655757 0.03328344916781 15.999 18 O 0.29596959241776 0.40010288344243 0.53328344916781 15.999 19 O 0.70403040758224 0.90010288344243 0.46671655083219 15.999 20 O 0.79596959241776 0.09989711655757 0.96671655083219 15.999 21 O 0.79596959241776 0.40010288344243 0.96671655083219 15.999 22 O 0.70403040758224 0.59989711655757 0.46671655083219 15.999 23 O 0.29596959241776 0.09989711655757 0.53328344916781 15.999 24 O 0.20403040758224 0.90010288344243 0.03328344916781 15.999 *25 O 0.07449604052891 0.54018961623958 0.35352331992275 15.999 26 O 0.42550395947109 0.45981038376041 0.85352331992275 15.999 27 O 0.57449604052891 0.95981038376042 0.14647668007725 15.999 28 O 0.92550395947109 0.04018961623959 0.64647668007725 15.999 29 O 0.92550395947109 0.45981038376041 0.64647668007725 15.999 30 O 0.57449604052891 0.54018961623958 0.14647668007725 15.999 31 O 0.42550395947109 0.04018961623959 0.85352331992275 15.999 32 O 0.07449604052891 0.95981038376042 0.35352331992275 15.999 33 O 0.88308859408802 0.57363795569303 0.08579952022716 15.999 34 O 0.61691140591198 0.42636204430697 0.58579952022716 15.999 35 O 0.38308859408802 0.92636204430697 0.41420047977284 15.999 36 O 0.11691140591198 0.07363795569303 0.91420047977284 15.999 *37 Se 0.04700566911881 0.87394123445922 0.18007638683927 78.960 38 Se 0.45299433088120 0.12605876554078 0.68007638683927 78.960 39 Se 0.54700566911880 0.62605876554078 0.31992361316073 78.960 40 Se 0.95299433088120 0.37394123445922 0.81992361316073 78.960 *41 Se 0.95605892791070 0.75000000000000 0.59014256368012 78.960 42 Se 0.54394107208930 0.25000000000000 0.09014256368012 78.960 43 Se 0.45605892791070 0.75000000000000 0.90985743631988 78.960 44 Se 0.04394107208930 0.25000000000000 0.40985743631988 78.960 45 Se 0.95299433088120 0.12605876554078 0.81992361316073 78.960 46 Se 0.54700566911880 0.87394123445922 0.31992361316073 78.960 47 Se 0.45299433088120 0.37394123445922 0.68007638683927 78.960 48 Se 0.04700566911881 0.62605876554078 0.18007638683927 78.960 *49 La 0.30164914264963 0.06317806449197 0.18193117148648 138.905 50 La 0.19835085735037 0.93682193550803 0.68193117148648 138.905 51 La 0.80164914264963 0.43682193550803 0.31806882851352 138.905 52 La 0.69835085735037 0.56317806449197 0.81806882851352 138.905 53 La 0.69835085735037 0.93682193550803 0.81806882851352 138.905 54 La 0.80164914264963 0.06317806449197 0.31806882851352 138.905 55 La 0.19835085735037 0.56317806449197 0.68193117148648 138.905 56 La 0.30164914264963 0.43682193550803 0.18193117148648 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.430353650000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.176777639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.044453380000000 Atomic positions (fractional): *1 O 0.94350073273084 0.84577977583804 0.74049547721248 15.999 > 1 2 O 0.55649926726916 0.15422022416196 0.24049547721248 15.999 > 2 3 O 0.44350073273084 0.65422022416196 0.75950452278752 15.999 > 3 4 O 0.05649926726916 0.34577977583804 0.25950452278752 15.999 > 4 5 O 0.05649926726916 0.15422022416196 0.25950452278752 15.999 > 5 6 O 0.44350073273084 0.84577977583804 0.75950452278752 15.999 > 6 7 O 0.55649926726916 0.34577977583804 0.24049547721248 15.999 > 7 8 O 0.94350073273084 0.65422022416196 0.74049547721248 15.999 > 8 *9 O 0.84182487892266 0.25000000000000 0.43676662698497 15.999 > 9 10 O 0.65817512107734 0.75000000000000 0.93676662698497 15.999 > 10 11 O 0.34182487892266 0.25000000000000 0.06323337301503 15.999 > 11 12 O 0.15817512107734 0.75000000000000 0.56323337301503 15.999 > 12 *13 O 0.88308859408802 0.92636204430697 0.08579952022716 15.999 > 13 14 O 0.61691140591198 0.07363795569303 0.58579952022716 15.999 > 14 15 O 0.38308859408802 0.57363795569303 0.41420047977284 15.999 > 15 16 O 0.11691140591198 0.42636204430697 0.91420047977284 15.999 > 16 *17 O 0.20403040758224 0.59989711655757 0.03328344916781 15.999 > 17 18 O 0.29596959241776 0.40010288344243 0.53328344916781 15.999 > 18 19 O 0.70403040758224 0.90010288344243 0.46671655083219 15.999 > 19 20 O 0.79596959241776 0.09989711655757 0.96671655083219 15.999 > 20 21 O 0.79596959241776 0.40010288344243 0.96671655083219 15.999 > 21 22 O 0.70403040758224 0.59989711655757 0.46671655083219 15.999 > 22 23 O 0.29596959241776 0.09989711655757 0.53328344916781 15.999 > 23 24 O 0.20403040758224 0.90010288344243 0.03328344916781 15.999 > 24 *25 O 0.07449604052891 0.54018961623958 0.35352331992275 15.999 > 25 26 O 0.42550395947109 0.45981038376041 0.85352331992275 15.999 > 26 27 O 0.57449604052891 0.95981038376042 0.14647668007725 15.999 > 27 28 O 0.92550395947109 0.04018961623959 0.64647668007725 15.999 > 28 29 O 0.92550395947109 0.45981038376041 0.64647668007725 15.999 > 29 30 O 0.57449604052891 0.54018961623958 0.14647668007725 15.999 > 30 31 O 0.42550395947109 0.04018961623959 0.85352331992275 15.999 > 31 32 O 0.07449604052891 0.95981038376042 0.35352331992275 15.999 > 32 33 O 0.88308859408802 0.57363795569303 0.08579952022716 15.999 > 33 34 O 0.61691140591198 0.42636204430697 0.58579952022716 15.999 > 34 35 O 0.38308859408802 0.92636204430697 0.41420047977284 15.999 > 35 36 O 0.11691140591198 0.07363795569303 0.91420047977284 15.999 > 36 *37 Se 0.04700566911881 0.87394123445922 0.18007638683927 78.960 > 37 38 Se 0.45299433088120 0.12605876554078 0.68007638683927 78.960 > 38 39 Se 0.54700566911880 0.62605876554078 0.31992361316073 78.960 > 39 40 Se 0.95299433088120 0.37394123445922 0.81992361316073 78.960 > 40 *41 Se 0.95605892791070 0.75000000000000 0.59014256368012 78.960 > 41 42 Se 0.54394107208930 0.25000000000000 0.09014256368012 78.960 > 42 43 Se 0.45605892791070 0.75000000000000 0.90985743631988 78.960 > 43 44 Se 0.04394107208930 0.25000000000000 0.40985743631988 78.960 > 44 45 Se 0.95299433088120 0.12605876554078 0.81992361316073 78.960 > 45 46 Se 0.54700566911880 0.87394123445922 0.31992361316073 78.960 > 46 47 Se 0.45299433088120 0.37394123445922 0.68007638683927 78.960 > 47 48 Se 0.04700566911881 0.62605876554078 0.18007638683927 78.960 > 48 *49 La 0.30164914264963 0.06317806449197 0.18193117148648 138.905 > 49 50 La 0.19835085735037 0.93682193550803 0.68193117148648 138.905 > 50 51 La 0.80164914264963 0.43682193550803 0.31806882851352 138.905 > 51 52 La 0.69835085735037 0.56317806449197 0.81806882851352 138.905 > 52 53 La 0.69835085735037 0.93682193550803 0.81806882851352 138.905 > 53 54 La 0.80164914264963 0.06317806449197 0.31806882851352 138.905 > 54 55 La 0.19835085735037 0.56317806449197 0.68193117148648 138.905 > 55 56 La 0.30164914264963 0.43682193550803 0.18193117148648 138.905 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.430353650000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.176777639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.088906760000000 Atomic positions (fractional): *1 O 0.94350073273084 0.84577977583804 0.37024773860624 15.999 > 1 2 O 0.94350073273084 0.84577977583804 0.87024773860624 15.999 > 1 3 O 0.55649926726916 0.15422022416196 0.12024773860624 15.999 > 2 4 O 0.55649926726916 0.15422022416196 0.62024773860624 15.999 > 2 5 O 0.44350073273084 0.65422022416196 0.37975226139376 15.999 > 3 6 O 0.44350073273084 0.65422022416196 0.87975226139376 15.999 > 3 7 O 0.05649926726916 0.34577977583804 0.12975226139376 15.999 > 4 8 O 0.05649926726916 0.34577977583804 0.62975226139376 15.999 > 4 9 O 0.05649926726916 0.15422022416196 0.12975226139376 15.999 > 5 10 O 0.05649926726916 0.15422022416196 0.62975226139376 15.999 > 5 11 O 0.44350073273084 0.84577977583804 0.37975226139376 15.999 > 6 12 O 0.44350073273084 0.84577977583804 0.87975226139376 15.999 > 6 13 O 0.55649926726916 0.34577977583804 0.12024773860624 15.999 > 7 14 O 0.55649926726916 0.34577977583804 0.62024773860624 15.999 > 7 15 O 0.94350073273084 0.65422022416196 0.37024773860624 15.999 > 8 16 O 0.94350073273084 0.65422022416196 0.87024773860624 15.999 > 8 *17 O 0.84182487892266 0.25000000000000 0.21838331349249 15.999 > 9 18 O 0.84182487892266 0.25000000000000 0.71838331349249 15.999 > 9 19 O 0.65817512107734 0.75000000000000 0.46838331349249 15.999 > 10 20 O 0.65817512107734 0.75000000000000 0.96838331349249 15.999 > 10 21 O 0.34182487892266 0.25000000000000 0.03161668650751 15.999 > 11 22 O 0.34182487892266 0.25000000000000 0.53161668650751 15.999 > 11 23 O 0.15817512107734 0.75000000000000 0.28161668650751 15.999 > 12 24 O 0.15817512107734 0.75000000000000 0.78161668650751 15.999 > 12 *25 O 0.88308859408802 0.92636204430697 0.04289976011358 15.999 > 13 26 O 0.88308859408802 0.92636204430697 0.54289976011358 15.999 > 13 27 O 0.61691140591198 0.07363795569303 0.29289976011358 15.999 > 14 28 O 0.61691140591198 0.07363795569303 0.79289976011358 15.999 > 14 29 O 0.38308859408802 0.57363795569303 0.20710023988642 15.999 > 15 30 O 0.38308859408802 0.57363795569303 0.70710023988642 15.999 > 15 31 O 0.11691140591198 0.42636204430697 0.45710023988642 15.999 > 16 32 O 0.11691140591198 0.42636204430697 0.95710023988642 15.999 > 16 *33 O 0.20403040758224 0.59989711655757 0.01664172458391 15.999 > 17 34 O 0.20403040758224 0.59989711655757 0.51664172458391 15.999 > 17 35 O 0.29596959241776 0.40010288344243 0.26664172458391 15.999 > 18 36 O 0.29596959241776 0.40010288344243 0.76664172458391 15.999 > 18 37 O 0.70403040758224 0.90010288344243 0.23335827541609 15.999 > 19 38 O 0.70403040758224 0.90010288344243 0.73335827541609 15.999 > 19 39 O 0.79596959241776 0.09989711655757 0.48335827541609 15.999 > 20 40 O 0.79596959241776 0.09989711655757 0.98335827541609 15.999 > 20 41 O 0.79596959241776 0.40010288344243 0.48335827541609 15.999 > 21 42 O 0.79596959241776 0.40010288344243 0.98335827541609 15.999 > 21 43 O 0.70403040758224 0.59989711655757 0.23335827541609 15.999 > 22 44 O 0.70403040758224 0.59989711655757 0.73335827541609 15.999 > 22 45 O 0.29596959241776 0.09989711655757 0.26664172458391 15.999 > 23 46 O 0.29596959241776 0.09989711655757 0.76664172458391 15.999 > 23 47 O 0.20403040758224 0.90010288344243 0.01664172458391 15.999 > 24 48 O 0.20403040758224 0.90010288344243 0.51664172458391 15.999 > 24 *49 O 0.07449604052891 0.54018961623958 0.17676165996138 15.999 > 25 50 O 0.07449604052891 0.54018961623958 0.67676165996138 15.999 > 25 51 O 0.42550395947109 0.45981038376041 0.42676165996138 15.999 > 26 52 O 0.42550395947109 0.45981038376041 0.92676165996138 15.999 > 26 53 O 0.57449604052891 0.95981038376042 0.07323834003862 15.999 > 27 54 O 0.57449604052891 0.95981038376042 0.57323834003862 15.999 > 27 55 O 0.92550395947109 0.04018961623959 0.32323834003862 15.999 > 28 56 O 0.92550395947109 0.04018961623959 0.82323834003862 15.999 > 28 57 O 0.92550395947109 0.45981038376041 0.32323834003862 15.999 > 29 58 O 0.92550395947109 0.45981038376041 0.82323834003862 15.999 > 29 59 O 0.57449604052891 0.54018961623958 0.07323834003862 15.999 > 30 60 O 0.57449604052891 0.54018961623958 0.57323834003862 15.999 > 30 61 O 0.42550395947109 0.04018961623959 0.42676165996138 15.999 > 31 62 O 0.42550395947109 0.04018961623959 0.92676165996138 15.999 > 31 63 O 0.07449604052891 0.95981038376042 0.17676165996138 15.999 > 32 64 O 0.07449604052891 0.95981038376042 0.67676165996138 15.999 > 32 65 O 0.88308859408802 0.57363795569303 0.04289976011358 15.999 > 33 66 O 0.88308859408802 0.57363795569303 0.54289976011358 15.999 > 33 67 O 0.61691140591198 0.42636204430697 0.29289976011358 15.999 > 34 68 O 0.61691140591198 0.42636204430697 0.79289976011358 15.999 > 34 69 O 0.38308859408802 0.92636204430697 0.20710023988642 15.999 > 35 70 O 0.38308859408802 0.92636204430697 0.70710023988642 15.999 > 35 71 O 0.11691140591198 0.07363795569303 0.45710023988642 15.999 > 36 72 O 0.11691140591198 0.07363795569303 0.95710023988642 15.999 > 36 *73 Se 0.04700566911881 0.87394123445922 0.09003819341963 78.960 > 37 74 Se 0.04700566911881 0.87394123445922 0.59003819341964 78.960 > 37 75 Se 0.45299433088120 0.12605876554078 0.34003819341964 78.960 > 38 76 Se 0.45299433088120 0.12605876554078 0.84003819341964 78.960 > 38 77 Se 0.54700566911880 0.62605876554078 0.15996180658036 78.960 > 39 78 Se 0.54700566911880 0.62605876554078 0.65996180658036 78.960 > 39 79 Se 0.95299433088120 0.37394123445922 0.40996180658036 78.960 > 40 80 Se 0.95299433088120 0.37394123445922 0.90996180658036 78.960 > 40 *81 Se 0.95605892791070 0.75000000000000 0.29507128184006 78.960 > 41 82 Se 0.95605892791070 0.75000000000000 0.79507128184006 78.960 > 41 83 Se 0.54394107208930 0.25000000000000 0.04507128184006 78.960 > 42 84 Se 0.54394107208930 0.25000000000000 0.54507128184006 78.960 > 42 85 Se 0.45605892791070 0.75000000000000 0.45492871815994 78.960 > 43 86 Se 0.45605892791070 0.75000000000000 0.95492871815994 78.960 > 43 87 Se 0.04394107208930 0.25000000000000 0.20492871815994 78.960 > 44 88 Se 0.04394107208930 0.25000000000000 0.70492871815994 78.960 > 44 89 Se 0.95299433088120 0.12605876554078 0.40996180658036 78.960 > 45 90 Se 0.95299433088120 0.12605876554078 0.90996180658036 78.960 > 45 91 Se 0.54700566911880 0.87394123445922 0.15996180658036 78.960 > 46 92 Se 0.54700566911880 0.87394123445922 0.65996180658036 78.960 > 46 93 Se 0.45299433088120 0.37394123445922 0.34003819341964 78.960 > 47 94 Se 0.45299433088120 0.37394123445922 0.84003819341964 78.960 > 47 95 Se 0.04700566911881 0.62605876554078 0.09003819341963 78.960 > 48 96 Se 0.04700566911881 0.62605876554078 0.59003819341964 78.960 > 48 *97 La 0.30164914264963 0.06317806449197 0.09096558574324 138.905 > 49 98 La 0.30164914264963 0.06317806449197 0.59096558574324 138.905 > 49 99 La 0.19835085735037 0.93682193550803 0.34096558574324 138.905 > 50 100 La 0.19835085735037 0.93682193550803 0.84096558574324 138.905 > 50 101 La 0.80164914264963 0.43682193550803 0.15903441425676 138.905 > 51 102 La 0.80164914264963 0.43682193550803 0.65903441425676 138.905 > 51 103 La 0.69835085735037 0.56317806449197 0.40903441425676 138.905 > 52 104 La 0.69835085735037 0.56317806449197 0.90903441425676 138.905 > 52 105 La 0.69835085735037 0.93682193550803 0.40903441425676 138.905 > 53 106 La 0.69835085735037 0.93682193550803 0.90903441425676 138.905 > 53 107 La 0.80164914264963 0.06317806449197 0.15903441425676 138.905 > 54 108 La 0.80164914264963 0.06317806449197 0.65903441425676 138.905 > 54 109 La 0.19835085735037 0.56317806449197 0.34096558574324 138.905 > 55 110 La 0.19835085735037 0.56317806449197 0.84096558574324 138.905 > 55 111 La 0.30164914264963 0.43682193550803 0.09096558574324 138.905 > 56 112 La 0.30164914264963 0.43682193550803 0.59096558574324 138.905 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0249396 0.0000000 0.0000000 0.0000000 3.8751548 0.0000000 0.0000000 0.0000000 3.9947112 -------------------------- Born effective charges -------------------------- 1 O -1.8190863 0.3295380 0.4311559 0.0354303 -2.5619282 -1.1017726 0.1436408 -0.6099968 -1.3239874 2 O -1.8190863 0.3295380 -0.4311559 0.0354303 -2.5619282 1.1017726 -0.1436408 0.6099968 -1.3239874 3 O -1.8190863 -0.3295380 -0.4311559 -0.0354303 -2.5619282 -1.1017726 -0.1436408 -0.6099968 -1.3239874 4 O -1.8190863 -0.3295380 0.4311559 -0.0354303 -2.5619282 1.1017726 0.1436408 0.6099968 -1.3239874 5 O -1.8190863 0.3295380 0.4311559 0.0354303 -2.5619282 -1.1017726 0.1436408 -0.6099968 -1.3239874 6 O -1.8190863 0.3295380 -0.4311559 0.0354303 -2.5619282 1.1017726 -0.1436408 0.6099968 -1.3239874 7 O -1.8190863 -0.3295380 -0.4311559 -0.0354303 -2.5619282 -1.1017726 -0.1436408 -0.6099968 -1.3239874 8 O -1.8190863 -0.3295380 0.4311559 -0.0354303 -2.5619282 1.1017726 0.1436408 0.6099968 -1.3239874 9 O -1.9578127 0.0000000 -0.1987620 0.0000000 -1.8105068 0.0000000 0.3463306 0.0000000 -1.0791507 10 O -1.9578127 0.0000000 0.1987620 0.0000000 -1.8105068 0.0000000 -0.3463306 0.0000000 -1.0791507 11 O -1.9578127 0.0000000 0.1987620 0.0000000 -1.8105068 0.0000000 -0.3463306 0.0000000 -1.0791507 12 O -1.9578127 0.0000000 -0.1987620 0.0000000 -1.8105068 0.0000000 0.3463306 0.0000000 -1.0791507 13 O -2.5038588 0.9204043 -0.8648054 0.3763920 -1.2533981 -0.1849809 -0.7448090 0.1126959 -1.8035639 14 O -2.5038588 0.9204043 0.8648054 0.3763920 -1.2533981 0.1849809 0.7448090 -0.1126959 -1.8035639 15 O -2.5038588 -0.9204043 0.8648054 -0.3763920 -1.2533981 -0.1849809 0.7448090 0.1126959 -1.8035639 16 O -2.5038588 -0.9204043 -0.8648054 -0.3763920 -1.2533981 0.1849809 -0.7448090 -0.1126959 -1.8035639 17 O -1.9903099 0.5367271 0.7963652 0.1171886 -1.2911228 0.1217106 0.7481854 -0.3742572 -2.3218634 18 O -1.9903099 0.5367271 -0.7963652 0.1171886 -1.2911228 -0.1217106 -0.7481854 0.3742572 -2.3218634 19 O -1.9903099 -0.5367271 -0.7963652 -0.1171886 -1.2911228 0.1217106 -0.7481854 -0.3742572 -2.3218634 20 O -1.9903099 -0.5367271 0.7963652 -0.1171886 -1.2911228 -0.1217106 0.7481854 0.3742572 -2.3218634 21 O -1.9903099 0.5367271 0.7963652 0.1171886 -1.2911228 0.1217106 0.7481854 -0.3742572 -2.3218634 22 O -1.9903099 0.5367271 -0.7963652 0.1171886 -1.2911228 -0.1217106 -0.7481854 0.3742572 -2.3218634 23 O -1.9903099 -0.5367271 -0.7963652 -0.1171886 -1.2911228 0.1217106 -0.7481854 -0.3742572 -2.3218634 24 O -1.9903099 -0.5367271 0.7963652 -0.1171886 -1.2911228 -0.1217106 0.7481854 0.3742572 -2.3218634 25 O -1.7121970 0.2244125 -0.3654835 0.0749967 -1.7484390 0.1699837 -0.3162021 0.8345769 -2.3865802 26 O -1.7121970 0.2244125 0.3654835 0.0749967 -1.7484390 -0.1699837 0.3162021 -0.8345769 -2.3865802 27 O -1.7121970 -0.2244125 0.3654835 -0.0749967 -1.7484390 0.1699837 0.3162021 0.8345769 -2.3865802 28 O -1.7121970 -0.2244125 -0.3654835 -0.0749967 -1.7484390 -0.1699837 -0.3162021 -0.8345769 -2.3865802 29 O -1.7121970 0.2244125 -0.3654835 0.0749967 -1.7484390 0.1699837 -0.3162021 0.8345769 -2.3865802 30 O -1.7121970 0.2244125 0.3654835 0.0749967 -1.7484390 -0.1699837 0.3162021 -0.8345769 -2.3865802 31 O -1.7121970 -0.2244125 0.3654835 -0.0749967 -1.7484390 0.1699837 0.3162021 0.8345769 -2.3865802 32 O -1.7121970 -0.2244125 -0.3654835 -0.0749967 -1.7484390 -0.1699837 -0.3162021 -0.8345769 -2.3865802 33 O -2.5038588 -0.9204043 -0.8648054 -0.3763920 -1.2533981 0.1849809 -0.7448090 -0.1126959 -1.8035639 34 O -2.5038588 -0.9204043 0.8648054 -0.3763920 -1.2533981 -0.1849809 0.7448090 0.1126959 -1.8035639 35 O -2.5038588 0.9204043 0.8648054 0.3763920 -1.2533981 0.1849809 0.7448090 -0.1126959 -1.8035639 36 O -2.5038588 0.9204043 -0.8648054 0.3763920 -1.2533981 -0.1849809 -0.7448090 0.1126959 -1.8035639 37 Se 3.3321858 -0.0786991 0.0644643 -0.0817081 1.8711230 0.1667443 -0.1050917 0.1960169 2.8869797 38 Se 3.3321858 -0.0786991 -0.0644643 -0.0817081 1.8711230 -0.1667443 0.1050917 -0.1960169 2.8869797 39 Se 3.3321858 0.0786991 -0.0644643 0.0817081 1.8711230 0.1667443 0.1050917 0.1960169 2.8869797 40 Se 3.3321858 0.0786991 0.0644643 0.0817081 1.8711230 -0.1667443 -0.1050917 -0.1960169 2.8869797 41 Se 2.1519720 0.0000000 -0.5061486 0.0000000 3.6393374 0.0000000 -0.3208784 0.0000000 1.9398927 42 Se 2.1519720 0.0000000 0.5061486 0.0000000 3.6393374 0.0000000 0.3208784 0.0000000 1.9398927 43 Se 2.1519720 0.0000000 0.5061486 0.0000000 3.6393374 0.0000000 0.3208784 0.0000000 1.9398927 44 Se 2.1519720 0.0000000 -0.5061486 0.0000000 3.6393374 0.0000000 -0.3208784 0.0000000 1.9398927 45 Se 3.3321858 -0.0786991 0.0644643 -0.0817081 1.8711230 0.1667443 -0.1050917 0.1960169 2.8869797 46 Se 3.3321858 -0.0786991 -0.0644643 -0.0817081 1.8711230 -0.1667443 0.1050917 -0.1960169 2.8869797 47 Se 3.3321858 0.0786991 -0.0644643 0.0817081 1.8711230 0.1667443 0.1050917 0.1960169 2.8869797 48 Se 3.3321858 0.0786991 0.0644643 0.0817081 1.8711230 -0.1667443 -0.1050917 -0.1960169 2.8869797 49 La 4.5961867 0.2410458 0.6641584 -0.0006741 4.0693498 -0.1401252 -0.0070753 0.0772328 4.5186442 50 La 4.5961867 0.2410458 -0.6641584 -0.0006741 4.0693498 0.1401252 0.0070753 -0.0772328 4.5186442 51 La 4.5961867 -0.2410458 -0.6641584 0.0006741 4.0693498 -0.1401252 0.0070753 0.0772328 4.5186442 52 La 4.5961867 -0.2410458 0.6641584 0.0006741 4.0693498 0.1401252 -0.0070753 -0.0772328 4.5186442 53 La 4.5961867 0.2410458 0.6641584 -0.0006741 4.0693498 -0.1401252 -0.0070753 0.0772328 4.5186442 54 La 4.5961867 0.2410458 -0.6641584 -0.0006741 4.0693498 0.1401252 0.0070753 -0.0772328 4.5186442 55 La 4.5961867 -0.2410458 -0.6641584 0.0006741 4.0693498 -0.1401252 0.0070753 0.0772328 4.5186442 56 La 4.5961867 -0.2410458 0.6641584 0.0006741 4.0693498 0.1401252 -0.0070753 -0.0772328 4.5186442 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 800 / 800 (1) 284 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3598), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (800, 784), data: False |-- (800, 16), data: (800, 32) @ (32, 16) |-- (300, 284), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.086 Solver_block: 200 / 880 - Time: 0.869 Solver_block: 300 / 880 - Time: 1.289 Solver_block: 400 / 880 - Time: 1.030 Solver_block: 500 / 880 - Time: 0.942 Solver_block: 600 / 880 - Time: 1.014 Solver_block: 700 / 880 - Time: 1.060 Solver_block: 800 / 880 - Time: 0.983 Solver_block: 880 / 880 - Time: 0.775 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.490 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 800 / 800 (1) 284 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3598), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (800, 784), data: False |-- (800, 16), data: (800, 32) @ (32, 16) |-- (300, 284), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:08:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:08:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.430353650000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.176777639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.044453380000000 Atomic positions (fractional): 1 O 0.94350073273084 0.84577977583804 0.74049547721248 15.999 2 O 0.55649926726916 0.15422022416196 0.24049547721248 15.999 3 O 0.44350073273084 0.65422022416196 0.75950452278752 15.999 4 O 0.05649926726916 0.34577977583804 0.25950452278752 15.999 5 O 0.05649926726916 0.15422022416196 0.25950452278752 15.999 6 O 0.44350073273084 0.84577977583804 0.75950452278752 15.999 7 O 0.55649926726916 0.34577977583804 0.24049547721248 15.999 8 O 0.94350073273084 0.65422022416196 0.74049547721248 15.999 9 O 0.84182487892266 0.25000000000000 0.43676662698497 15.999 10 O 0.65817512107734 0.75000000000000 0.93676662698497 15.999 11 O 0.34182487892266 0.25000000000000 0.06323337301503 15.999 12 O 0.15817512107734 0.75000000000000 0.56323337301503 15.999 13 O 0.88308859408802 0.92636204430697 0.08579952022716 15.999 14 O 0.61691140591198 0.07363795569303 0.58579952022716 15.999 15 O 0.38308859408802 0.57363795569303 0.41420047977284 15.999 16 O 0.11691140591198 0.42636204430697 0.91420047977284 15.999 17 O 0.20403040758224 0.59989711655757 0.03328344916781 15.999 18 O 0.29596959241776 0.40010288344243 0.53328344916781 15.999 19 O 0.70403040758224 0.90010288344243 0.46671655083219 15.999 20 O 0.79596959241776 0.09989711655757 0.96671655083219 15.999 21 O 0.79596959241776 0.40010288344243 0.96671655083219 15.999 22 O 0.70403040758224 0.59989711655757 0.46671655083219 15.999 23 O 0.29596959241776 0.09989711655757 0.53328344916781 15.999 24 O 0.20403040758224 0.90010288344243 0.03328344916781 15.999 25 O 0.07449604052891 0.54018961623958 0.35352331992275 15.999 26 O 0.42550395947109 0.45981038376041 0.85352331992275 15.999 27 O 0.57449604052891 0.95981038376042 0.14647668007725 15.999 28 O 0.92550395947109 0.04018961623959 0.64647668007725 15.999 29 O 0.92550395947109 0.45981038376041 0.64647668007725 15.999 30 O 0.57449604052891 0.54018961623958 0.14647668007725 15.999 31 O 0.42550395947109 0.04018961623959 0.85352331992275 15.999 32 O 0.07449604052891 0.95981038376042 0.35352331992275 15.999 33 O 0.88308859408802 0.57363795569303 0.08579952022716 15.999 34 O 0.61691140591198 0.42636204430697 0.58579952022716 15.999 35 O 0.38308859408802 0.92636204430697 0.41420047977284 15.999 36 O 0.11691140591198 0.07363795569303 0.91420047977284 15.999 37 Se 0.04700566911881 0.87394123445922 0.18007638683927 78.960 38 Se 0.45299433088120 0.12605876554078 0.68007638683927 78.960 39 Se 0.54700566911880 0.62605876554078 0.31992361316073 78.960 40 Se 0.95299433088120 0.37394123445922 0.81992361316073 78.960 41 Se 0.95605892791070 0.75000000000000 0.59014256368012 78.960 42 Se 0.54394107208930 0.25000000000000 0.09014256368012 78.960 43 Se 0.45605892791070 0.75000000000000 0.90985743631988 78.960 44 Se 0.04394107208930 0.25000000000000 0.40985743631988 78.960 45 Se 0.95299433088120 0.12605876554078 0.81992361316073 78.960 46 Se 0.54700566911880 0.87394123445922 0.31992361316073 78.960 47 Se 0.45299433088120 0.37394123445922 0.68007638683927 78.960 48 Se 0.04700566911881 0.62605876554078 0.18007638683927 78.960 49 La 0.30164914264963 0.06317806449197 0.18193117148648 138.905 50 La 0.19835085735037 0.93682193550803 0.68193117148648 138.905 51 La 0.80164914264963 0.43682193550803 0.31806882851352 138.905 52 La 0.69835085735037 0.56317806449197 0.81806882851352 138.905 53 La 0.69835085735037 0.93682193550803 0.81806882851352 138.905 54 La 0.80164914264963 0.06317806449197 0.31806882851352 138.905 55 La 0.19835085735037 0.56317806449197 0.68193117148648 138.905 56 La 0.30164914264963 0.43682193550803 0.18193117148648 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.430353650000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.176777639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.088906760000000 Atomic positions (fractional): 1 O 0.94350073273084 0.84577977583804 0.37024773860624 15.999 > 1 2 O 0.94350073273084 0.84577977583804 0.87024773860624 15.999 > 1 3 O 0.55649926726916 0.15422022416196 0.12024773860624 15.999 > 3 4 O 0.55649926726916 0.15422022416196 0.62024773860624 15.999 > 3 5 O 0.44350073273084 0.65422022416196 0.37975226139376 15.999 > 5 6 O 0.44350073273084 0.65422022416196 0.87975226139376 15.999 > 5 7 O 0.05649926726916 0.34577977583804 0.12975226139376 15.999 > 7 8 O 0.05649926726916 0.34577977583804 0.62975226139376 15.999 > 7 9 O 0.05649926726916 0.15422022416196 0.12975226139376 15.999 > 9 10 O 0.05649926726916 0.15422022416196 0.62975226139376 15.999 > 9 11 O 0.44350073273084 0.84577977583804 0.37975226139376 15.999 > 11 12 O 0.44350073273084 0.84577977583804 0.87975226139376 15.999 > 11 13 O 0.55649926726916 0.34577977583804 0.12024773860624 15.999 > 13 14 O 0.55649926726916 0.34577977583804 0.62024773860624 15.999 > 13 15 O 0.94350073273084 0.65422022416196 0.37024773860624 15.999 > 15 16 O 0.94350073273084 0.65422022416196 0.87024773860624 15.999 > 15 17 O 0.84182487892266 0.25000000000000 0.21838331349249 15.999 > 17 18 O 0.84182487892266 0.25000000000000 0.71838331349249 15.999 > 17 19 O 0.65817512107734 0.75000000000000 0.46838331349249 15.999 > 19 20 O 0.65817512107734 0.75000000000000 0.96838331349249 15.999 > 19 21 O 0.34182487892266 0.25000000000000 0.03161668650751 15.999 > 21 22 O 0.34182487892266 0.25000000000000 0.53161668650751 15.999 > 21 23 O 0.15817512107734 0.75000000000000 0.28161668650751 15.999 > 23 24 O 0.15817512107734 0.75000000000000 0.78161668650751 15.999 > 23 25 O 0.88308859408802 0.92636204430697 0.04289976011358 15.999 > 25 26 O 0.88308859408802 0.92636204430697 0.54289976011358 15.999 > 25 27 O 0.61691140591198 0.07363795569303 0.29289976011358 15.999 > 27 28 O 0.61691140591198 0.07363795569303 0.79289976011358 15.999 > 27 29 O 0.38308859408802 0.57363795569303 0.20710023988642 15.999 > 29 30 O 0.38308859408802 0.57363795569303 0.70710023988642 15.999 > 29 31 O 0.11691140591198 0.42636204430697 0.45710023988642 15.999 > 31 32 O 0.11691140591198 0.42636204430697 0.95710023988642 15.999 > 31 33 O 0.20403040758224 0.59989711655757 0.01664172458391 15.999 > 33 34 O 0.20403040758224 0.59989711655757 0.51664172458391 15.999 > 33 35 O 0.29596959241776 0.40010288344243 0.26664172458391 15.999 > 35 36 O 0.29596959241776 0.40010288344243 0.76664172458391 15.999 > 35 37 O 0.70403040758224 0.90010288344243 0.23335827541609 15.999 > 37 38 O 0.70403040758224 0.90010288344243 0.73335827541609 15.999 > 37 39 O 0.79596959241776 0.09989711655757 0.48335827541609 15.999 > 39 40 O 0.79596959241776 0.09989711655757 0.98335827541609 15.999 > 39 41 O 0.79596959241776 0.40010288344243 0.48335827541609 15.999 > 41 42 O 0.79596959241776 0.40010288344243 0.98335827541609 15.999 > 41 43 O 0.70403040758224 0.59989711655757 0.23335827541609 15.999 > 43 44 O 0.70403040758224 0.59989711655757 0.73335827541609 15.999 > 43 45 O 0.29596959241776 0.09989711655757 0.26664172458391 15.999 > 45 46 O 0.29596959241776 0.09989711655757 0.76664172458391 15.999 > 45 47 O 0.20403040758224 0.90010288344243 0.01664172458391 15.999 > 47 48 O 0.20403040758224 0.90010288344243 0.51664172458391 15.999 > 47 49 O 0.07449604052891 0.54018961623958 0.17676165996138 15.999 > 49 50 O 0.07449604052891 0.54018961623958 0.67676165996138 15.999 > 49 51 O 0.42550395947109 0.45981038376041 0.42676165996138 15.999 > 51 52 O 0.42550395947109 0.45981038376041 0.92676165996138 15.999 > 51 53 O 0.57449604052891 0.95981038376042 0.07323834003862 15.999 > 53 54 O 0.57449604052891 0.95981038376042 0.57323834003862 15.999 > 53 55 O 0.92550395947109 0.04018961623959 0.32323834003862 15.999 > 55 56 O 0.92550395947109 0.04018961623959 0.82323834003862 15.999 > 55 57 O 0.92550395947109 0.45981038376041 0.32323834003862 15.999 > 57 58 O 0.92550395947109 0.45981038376041 0.82323834003862 15.999 > 57 59 O 0.57449604052891 0.54018961623958 0.07323834003862 15.999 > 59 60 O 0.57449604052891 0.54018961623958 0.57323834003862 15.999 > 59 61 O 0.42550395947109 0.04018961623959 0.42676165996138 15.999 > 61 62 O 0.42550395947109 0.04018961623959 0.92676165996138 15.999 > 61 63 O 0.07449604052891 0.95981038376042 0.17676165996138 15.999 > 63 64 O 0.07449604052891 0.95981038376042 0.67676165996138 15.999 > 63 65 O 0.88308859408802 0.57363795569303 0.04289976011358 15.999 > 65 66 O 0.88308859408802 0.57363795569303 0.54289976011358 15.999 > 65 67 O 0.61691140591198 0.42636204430697 0.29289976011358 15.999 > 67 68 O 0.61691140591198 0.42636204430697 0.79289976011358 15.999 > 67 69 O 0.38308859408802 0.92636204430697 0.20710023988642 15.999 > 69 70 O 0.38308859408802 0.92636204430697 0.70710023988642 15.999 > 69 71 O 0.11691140591198 0.07363795569303 0.45710023988642 15.999 > 71 72 O 0.11691140591198 0.07363795569303 0.95710023988642 15.999 > 71 73 Se 0.04700566911881 0.87394123445922 0.09003819341963 78.960 > 73 74 Se 0.04700566911881 0.87394123445922 0.59003819341964 78.960 > 73 75 Se 0.45299433088120 0.12605876554078 0.34003819341964 78.960 > 75 76 Se 0.45299433088120 0.12605876554078 0.84003819341964 78.960 > 75 77 Se 0.54700566911880 0.62605876554078 0.15996180658036 78.960 > 77 78 Se 0.54700566911880 0.62605876554078 0.65996180658036 78.960 > 77 79 Se 0.95299433088120 0.37394123445922 0.40996180658036 78.960 > 79 80 Se 0.95299433088120 0.37394123445922 0.90996180658036 78.960 > 79 81 Se 0.95605892791070 0.75000000000000 0.29507128184006 78.960 > 81 82 Se 0.95605892791070 0.75000000000000 0.79507128184006 78.960 > 81 83 Se 0.54394107208930 0.25000000000000 0.04507128184006 78.960 > 83 84 Se 0.54394107208930 0.25000000000000 0.54507128184006 78.960 > 83 85 Se 0.45605892791070 0.75000000000000 0.45492871815994 78.960 > 85 86 Se 0.45605892791070 0.75000000000000 0.95492871815994 78.960 > 85 87 Se 0.04394107208930 0.25000000000000 0.20492871815994 78.960 > 87 88 Se 0.04394107208930 0.25000000000000 0.70492871815994 78.960 > 87 89 Se 0.95299433088120 0.12605876554078 0.40996180658036 78.960 > 89 90 Se 0.95299433088120 0.12605876554078 0.90996180658036 78.960 > 89 91 Se 0.54700566911880 0.87394123445922 0.15996180658036 78.960 > 91 92 Se 0.54700566911880 0.87394123445922 0.65996180658036 78.960 > 91 93 Se 0.45299433088120 0.37394123445922 0.34003819341964 78.960 > 93 94 Se 0.45299433088120 0.37394123445922 0.84003819341964 78.960 > 93 95 Se 0.04700566911881 0.62605876554078 0.09003819341963 78.960 > 95 96 Se 0.04700566911881 0.62605876554078 0.59003819341964 78.960 > 95 97 La 0.30164914264963 0.06317806449197 0.09096558574324 138.905 > 97 98 La 0.30164914264963 0.06317806449197 0.59096558574324 138.905 > 97 99 La 0.19835085735037 0.93682193550803 0.34096558574324 138.905 > 99 100 La 0.19835085735037 0.93682193550803 0.84096558574324 138.905 > 99 101 La 0.80164914264963 0.43682193550803 0.15903441425676 138.905 > 101 102 La 0.80164914264963 0.43682193550803 0.65903441425676 138.905 > 101 103 La 0.69835085735037 0.56317806449197 0.40903441425676 138.905 > 103 104 La 0.69835085735037 0.56317806449197 0.90903441425676 138.905 > 103 105 La 0.69835085735037 0.93682193550803 0.40903441425676 138.905 > 105 106 La 0.69835085735037 0.93682193550803 0.90903441425676 138.905 > 105 107 La 0.80164914264963 0.06317806449197 0.15903441425676 138.905 > 107 108 La 0.80164914264963 0.06317806449197 0.65903441425676 138.905 > 107 109 La 0.19835085735037 0.56317806449197 0.34096558574324 138.905 > 109 110 La 0.19835085735037 0.56317806449197 0.84096558574324 138.905 > 109 111 La 0.30164914264963 0.43682193550803 0.09096558574324 138.905 > 111 112 La 0.30164914264963 0.43682193550803 0.59096558574324 138.905 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0249396 0.0000000 0.0000000 0.0000000 3.8751548 0.0000000 0.0000000 0.0000000 3.9947112 -------------------------- Born effective charges -------------------------- 1 O -1.8190863 0.3295380 0.4311559 0.0354303 -2.5619282 -1.1017726 0.1436408 -0.6099968 -1.3239874 2 O -1.8190863 0.3295380 -0.4311559 0.0354303 -2.5619282 1.1017726 -0.1436408 0.6099968 -1.3239874 3 O -1.8190863 -0.3295380 -0.4311559 -0.0354303 -2.5619282 -1.1017726 -0.1436408 -0.6099968 -1.3239874 4 O -1.8190863 -0.3295380 0.4311559 -0.0354303 -2.5619282 1.1017726 0.1436408 0.6099968 -1.3239874 5 O -1.8190863 0.3295380 0.4311559 0.0354303 -2.5619282 -1.1017726 0.1436408 -0.6099968 -1.3239874 6 O -1.8190863 0.3295380 -0.4311559 0.0354303 -2.5619282 1.1017726 -0.1436408 0.6099968 -1.3239874 7 O -1.8190863 -0.3295380 -0.4311559 -0.0354303 -2.5619282 -1.1017726 -0.1436408 -0.6099968 -1.3239874 8 O -1.8190863 -0.3295380 0.4311559 -0.0354303 -2.5619282 1.1017726 0.1436408 0.6099968 -1.3239874 9 O -1.9578127 0.0000000 -0.1987620 0.0000000 -1.8105068 0.0000000 0.3463306 0.0000000 -1.0791507 10 O -1.9578127 0.0000000 0.1987620 0.0000000 -1.8105068 0.0000000 -0.3463306 0.0000000 -1.0791507 11 O -1.9578127 0.0000000 0.1987620 0.0000000 -1.8105068 0.0000000 -0.3463306 0.0000000 -1.0791507 12 O -1.9578127 0.0000000 -0.1987620 0.0000000 -1.8105068 0.0000000 0.3463306 0.0000000 -1.0791507 13 O -2.5038588 0.9204043 -0.8648054 0.3763920 -1.2533981 -0.1849809 -0.7448090 0.1126959 -1.8035639 14 O -2.5038588 0.9204043 0.8648054 0.3763920 -1.2533981 0.1849809 0.7448090 -0.1126959 -1.8035639 15 O -2.5038588 -0.9204043 0.8648054 -0.3763920 -1.2533981 -0.1849809 0.7448090 0.1126959 -1.8035639 16 O -2.5038588 -0.9204043 -0.8648054 -0.3763920 -1.2533981 0.1849809 -0.7448090 -0.1126959 -1.8035639 17 O -1.9903099 0.5367271 0.7963652 0.1171886 -1.2911228 0.1217106 0.7481854 -0.3742572 -2.3218634 18 O -1.9903099 0.5367271 -0.7963652 0.1171886 -1.2911228 -0.1217106 -0.7481854 0.3742572 -2.3218634 19 O -1.9903099 -0.5367271 -0.7963652 -0.1171886 -1.2911228 0.1217106 -0.7481854 -0.3742572 -2.3218634 20 O -1.9903099 -0.5367271 0.7963652 -0.1171886 -1.2911228 -0.1217106 0.7481854 0.3742572 -2.3218634 21 O -1.9903099 0.5367271 0.7963652 0.1171886 -1.2911228 0.1217106 0.7481854 -0.3742572 -2.3218634 22 O -1.9903099 0.5367271 -0.7963652 0.1171886 -1.2911228 -0.1217106 -0.7481854 0.3742572 -2.3218634 23 O -1.9903099 -0.5367271 -0.7963652 -0.1171886 -1.2911228 0.1217106 -0.7481854 -0.3742572 -2.3218634 24 O -1.9903099 -0.5367271 0.7963652 -0.1171886 -1.2911228 -0.1217106 0.7481854 0.3742572 -2.3218634 25 O -1.7121970 0.2244125 -0.3654835 0.0749967 -1.7484390 0.1699837 -0.3162021 0.8345769 -2.3865802 26 O -1.7121970 0.2244125 0.3654835 0.0749967 -1.7484390 -0.1699837 0.3162021 -0.8345769 -2.3865802 27 O -1.7121970 -0.2244125 0.3654835 -0.0749967 -1.7484390 0.1699837 0.3162021 0.8345769 -2.3865802 28 O -1.7121970 -0.2244125 -0.3654835 -0.0749967 -1.7484390 -0.1699837 -0.3162021 -0.8345769 -2.3865802 29 O -1.7121970 0.2244125 -0.3654835 0.0749967 -1.7484390 0.1699837 -0.3162021 0.8345769 -2.3865802 30 O -1.7121970 0.2244125 0.3654835 0.0749967 -1.7484390 -0.1699837 0.3162021 -0.8345769 -2.3865802 31 O -1.7121970 -0.2244125 0.3654835 -0.0749967 -1.7484390 0.1699837 0.3162021 0.8345769 -2.3865802 32 O -1.7121970 -0.2244125 -0.3654835 -0.0749967 -1.7484390 -0.1699837 -0.3162021 -0.8345769 -2.3865802 33 O -2.5038588 -0.9204043 -0.8648054 -0.3763920 -1.2533981 0.1849809 -0.7448090 -0.1126959 -1.8035639 34 O -2.5038588 -0.9204043 0.8648054 -0.3763920 -1.2533981 -0.1849809 0.7448090 0.1126959 -1.8035639 35 O -2.5038588 0.9204043 0.8648054 0.3763920 -1.2533981 0.1849809 0.7448090 -0.1126959 -1.8035639 36 O -2.5038588 0.9204043 -0.8648054 0.3763920 -1.2533981 -0.1849809 -0.7448090 0.1126959 -1.8035639 37 Se 3.3321858 -0.0786991 0.0644643 -0.0817081 1.8711230 0.1667443 -0.1050917 0.1960169 2.8869797 38 Se 3.3321858 -0.0786991 -0.0644643 -0.0817081 1.8711230 -0.1667443 0.1050917 -0.1960169 2.8869797 39 Se 3.3321858 0.0786991 -0.0644643 0.0817081 1.8711230 0.1667443 0.1050917 0.1960169 2.8869797 40 Se 3.3321858 0.0786991 0.0644643 0.0817081 1.8711230 -0.1667443 -0.1050917 -0.1960169 2.8869797 41 Se 2.1519720 0.0000000 -0.5061486 0.0000000 3.6393374 0.0000000 -0.3208784 0.0000000 1.9398927 42 Se 2.1519720 0.0000000 0.5061486 0.0000000 3.6393374 0.0000000 0.3208784 0.0000000 1.9398927 43 Se 2.1519720 0.0000000 0.5061486 0.0000000 3.6393374 0.0000000 0.3208784 0.0000000 1.9398927 44 Se 2.1519720 0.0000000 -0.5061486 0.0000000 3.6393374 0.0000000 -0.3208784 0.0000000 1.9398927 45 Se 3.3321858 -0.0786991 0.0644643 -0.0817081 1.8711230 0.1667443 -0.1050917 0.1960169 2.8869797 46 Se 3.3321858 -0.0786991 -0.0644643 -0.0817081 1.8711230 -0.1667443 0.1050917 -0.1960169 2.8869797 47 Se 3.3321858 0.0786991 -0.0644643 0.0817081 1.8711230 0.1667443 0.1050917 0.1960169 2.8869797 48 Se 3.3321858 0.0786991 0.0644643 0.0817081 1.8711230 -0.1667443 -0.1050917 -0.1960169 2.8869797 49 La 4.5961867 0.2410458 0.6641584 -0.0006741 4.0693498 -0.1401252 -0.0070753 0.0772328 4.5186442 50 La 4.5961867 0.2410458 -0.6641584 -0.0006741 4.0693498 0.1401252 0.0070753 -0.0772328 4.5186442 51 La 4.5961867 -0.2410458 -0.6641584 0.0006741 4.0693498 -0.1401252 0.0070753 0.0772328 4.5186442 52 La 4.5961867 -0.2410458 0.6641584 0.0006741 4.0693498 0.1401252 -0.0070753 -0.0772328 4.5186442 53 La 4.5961867 0.2410458 0.6641584 -0.0006741 4.0693498 -0.1401252 -0.0070753 0.0772328 4.5186442 54 La 4.5961867 0.2410458 -0.6641584 -0.0006741 4.0693498 0.1401252 0.0070753 -0.0772328 4.5186442 55 La 4.5961867 -0.2410458 -0.6641584 0.0006741 4.0693498 -0.1401252 0.0070753 0.0772328 4.5186442 56 La 4.5961867 -0.2410458 0.6641584 0.0006741 4.0693498 0.1401252 -0.0070753 -0.0772328 4.5186442 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:09:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:09:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.430353650000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.176777639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.044453380000000 Atomic positions (fractional): 1 O 0.94350073273084 0.84577977583804 0.74049547721248 15.999 2 O 0.55649926726916 0.15422022416196 0.24049547721248 15.999 3 O 0.44350073273084 0.65422022416196 0.75950452278752 15.999 4 O 0.05649926726916 0.34577977583804 0.25950452278752 15.999 5 O 0.05649926726916 0.15422022416196 0.25950452278752 15.999 6 O 0.44350073273084 0.84577977583804 0.75950452278752 15.999 7 O 0.55649926726916 0.34577977583804 0.24049547721248 15.999 8 O 0.94350073273084 0.65422022416196 0.74049547721248 15.999 9 O 0.84182487892266 0.25000000000000 0.43676662698497 15.999 10 O 0.65817512107734 0.75000000000000 0.93676662698497 15.999 11 O 0.34182487892266 0.25000000000000 0.06323337301503 15.999 12 O 0.15817512107734 0.75000000000000 0.56323337301503 15.999 13 O 0.88308859408802 0.92636204430697 0.08579952022716 15.999 14 O 0.61691140591198 0.07363795569303 0.58579952022716 15.999 15 O 0.38308859408802 0.57363795569303 0.41420047977284 15.999 16 O 0.11691140591198 0.42636204430697 0.91420047977284 15.999 17 O 0.20403040758224 0.59989711655757 0.03328344916781 15.999 18 O 0.29596959241776 0.40010288344243 0.53328344916781 15.999 19 O 0.70403040758224 0.90010288344243 0.46671655083219 15.999 20 O 0.79596959241776 0.09989711655757 0.96671655083219 15.999 21 O 0.79596959241776 0.40010288344243 0.96671655083219 15.999 22 O 0.70403040758224 0.59989711655757 0.46671655083219 15.999 23 O 0.29596959241776 0.09989711655757 0.53328344916781 15.999 24 O 0.20403040758224 0.90010288344243 0.03328344916781 15.999 25 O 0.07449604052891 0.54018961623958 0.35352331992275 15.999 26 O 0.42550395947109 0.45981038376041 0.85352331992275 15.999 27 O 0.57449604052891 0.95981038376042 0.14647668007725 15.999 28 O 0.92550395947109 0.04018961623959 0.64647668007725 15.999 29 O 0.92550395947109 0.45981038376041 0.64647668007725 15.999 30 O 0.57449604052891 0.54018961623958 0.14647668007725 15.999 31 O 0.42550395947109 0.04018961623959 0.85352331992275 15.999 32 O 0.07449604052891 0.95981038376042 0.35352331992275 15.999 33 O 0.88308859408802 0.57363795569303 0.08579952022716 15.999 34 O 0.61691140591198 0.42636204430697 0.58579952022716 15.999 35 O 0.38308859408802 0.92636204430697 0.41420047977284 15.999 36 O 0.11691140591198 0.07363795569303 0.91420047977284 15.999 37 Se 0.04700566911881 0.87394123445922 0.18007638683927 78.960 38 Se 0.45299433088120 0.12605876554078 0.68007638683927 78.960 39 Se 0.54700566911880 0.62605876554078 0.31992361316073 78.960 40 Se 0.95299433088120 0.37394123445922 0.81992361316073 78.960 41 Se 0.95605892791070 0.75000000000000 0.59014256368012 78.960 42 Se 0.54394107208930 0.25000000000000 0.09014256368012 78.960 43 Se 0.45605892791070 0.75000000000000 0.90985743631988 78.960 44 Se 0.04394107208930 0.25000000000000 0.40985743631988 78.960 45 Se 0.95299433088120 0.12605876554078 0.81992361316073 78.960 46 Se 0.54700566911880 0.87394123445922 0.31992361316073 78.960 47 Se 0.45299433088120 0.37394123445922 0.68007638683927 78.960 48 Se 0.04700566911881 0.62605876554078 0.18007638683927 78.960 49 La 0.30164914264963 0.06317806449197 0.18193117148648 138.905 50 La 0.19835085735037 0.93682193550803 0.68193117148648 138.905 51 La 0.80164914264963 0.43682193550803 0.31806882851352 138.905 52 La 0.69835085735037 0.56317806449197 0.81806882851352 138.905 53 La 0.69835085735037 0.93682193550803 0.81806882851352 138.905 54 La 0.80164914264963 0.06317806449197 0.31806882851352 138.905 55 La 0.19835085735037 0.56317806449197 0.68193117148648 138.905 56 La 0.30164914264963 0.43682193550803 0.18193117148648 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.430353650000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.176777639999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.088906760000000 Atomic positions (fractional): 1 O 0.94350073273084 0.84577977583804 0.37024773860624 15.999 > 1 2 O 0.94350073273084 0.84577977583804 0.87024773860624 15.999 > 1 3 O 0.55649926726916 0.15422022416196 0.12024773860624 15.999 > 3 4 O 0.55649926726916 0.15422022416196 0.62024773860624 15.999 > 3 5 O 0.44350073273084 0.65422022416196 0.37975226139376 15.999 > 5 6 O 0.44350073273084 0.65422022416196 0.87975226139376 15.999 > 5 7 O 0.05649926726916 0.34577977583804 0.12975226139376 15.999 > 7 8 O 0.05649926726916 0.34577977583804 0.62975226139376 15.999 > 7 9 O 0.05649926726916 0.15422022416196 0.12975226139376 15.999 > 9 10 O 0.05649926726916 0.15422022416196 0.62975226139376 15.999 > 9 11 O 0.44350073273084 0.84577977583804 0.37975226139376 15.999 > 11 12 O 0.44350073273084 0.84577977583804 0.87975226139376 15.999 > 11 13 O 0.55649926726916 0.34577977583804 0.12024773860624 15.999 > 13 14 O 0.55649926726916 0.34577977583804 0.62024773860624 15.999 > 13 15 O 0.94350073273084 0.65422022416196 0.37024773860624 15.999 > 15 16 O 0.94350073273084 0.65422022416196 0.87024773860624 15.999 > 15 17 O 0.84182487892266 0.25000000000000 0.21838331349249 15.999 > 17 18 O 0.84182487892266 0.25000000000000 0.71838331349249 15.999 > 17 19 O 0.65817512107734 0.75000000000000 0.46838331349249 15.999 > 19 20 O 0.65817512107734 0.75000000000000 0.96838331349249 15.999 > 19 21 O 0.34182487892266 0.25000000000000 0.03161668650751 15.999 > 21 22 O 0.34182487892266 0.25000000000000 0.53161668650751 15.999 > 21 23 O 0.15817512107734 0.75000000000000 0.28161668650751 15.999 > 23 24 O 0.15817512107734 0.75000000000000 0.78161668650751 15.999 > 23 25 O 0.88308859408802 0.92636204430697 0.04289976011358 15.999 > 25 26 O 0.88308859408802 0.92636204430697 0.54289976011358 15.999 > 25 27 O 0.61691140591198 0.07363795569303 0.29289976011358 15.999 > 27 28 O 0.61691140591198 0.07363795569303 0.79289976011358 15.999 > 27 29 O 0.38308859408802 0.57363795569303 0.20710023988642 15.999 > 29 30 O 0.38308859408802 0.57363795569303 0.70710023988642 15.999 > 29 31 O 0.11691140591198 0.42636204430697 0.45710023988642 15.999 > 31 32 O 0.11691140591198 0.42636204430697 0.95710023988642 15.999 > 31 33 O 0.20403040758224 0.59989711655757 0.01664172458391 15.999 > 33 34 O 0.20403040758224 0.59989711655757 0.51664172458391 15.999 > 33 35 O 0.29596959241776 0.40010288344243 0.26664172458391 15.999 > 35 36 O 0.29596959241776 0.40010288344243 0.76664172458391 15.999 > 35 37 O 0.70403040758224 0.90010288344243 0.23335827541609 15.999 > 37 38 O 0.70403040758224 0.90010288344243 0.73335827541609 15.999 > 37 39 O 0.79596959241776 0.09989711655757 0.48335827541609 15.999 > 39 40 O 0.79596959241776 0.09989711655757 0.98335827541609 15.999 > 39 41 O 0.79596959241776 0.40010288344243 0.48335827541609 15.999 > 41 42 O 0.79596959241776 0.40010288344243 0.98335827541609 15.999 > 41 43 O 0.70403040758224 0.59989711655757 0.23335827541609 15.999 > 43 44 O 0.70403040758224 0.59989711655757 0.73335827541609 15.999 > 43 45 O 0.29596959241776 0.09989711655757 0.26664172458391 15.999 > 45 46 O 0.29596959241776 0.09989711655757 0.76664172458391 15.999 > 45 47 O 0.20403040758224 0.90010288344243 0.01664172458391 15.999 > 47 48 O 0.20403040758224 0.90010288344243 0.51664172458391 15.999 > 47 49 O 0.07449604052891 0.54018961623958 0.17676165996138 15.999 > 49 50 O 0.07449604052891 0.54018961623958 0.67676165996138 15.999 > 49 51 O 0.42550395947109 0.45981038376041 0.42676165996138 15.999 > 51 52 O 0.42550395947109 0.45981038376041 0.92676165996138 15.999 > 51 53 O 0.57449604052891 0.95981038376042 0.07323834003862 15.999 > 53 54 O 0.57449604052891 0.95981038376042 0.57323834003862 15.999 > 53 55 O 0.92550395947109 0.04018961623959 0.32323834003862 15.999 > 55 56 O 0.92550395947109 0.04018961623959 0.82323834003862 15.999 > 55 57 O 0.92550395947109 0.45981038376041 0.32323834003862 15.999 > 57 58 O 0.92550395947109 0.45981038376041 0.82323834003862 15.999 > 57 59 O 0.57449604052891 0.54018961623958 0.07323834003862 15.999 > 59 60 O 0.57449604052891 0.54018961623958 0.57323834003862 15.999 > 59 61 O 0.42550395947109 0.04018961623959 0.42676165996138 15.999 > 61 62 O 0.42550395947109 0.04018961623959 0.92676165996138 15.999 > 61 63 O 0.07449604052891 0.95981038376042 0.17676165996138 15.999 > 63 64 O 0.07449604052891 0.95981038376042 0.67676165996138 15.999 > 63 65 O 0.88308859408802 0.57363795569303 0.04289976011358 15.999 > 65 66 O 0.88308859408802 0.57363795569303 0.54289976011358 15.999 > 65 67 O 0.61691140591198 0.42636204430697 0.29289976011358 15.999 > 67 68 O 0.61691140591198 0.42636204430697 0.79289976011358 15.999 > 67 69 O 0.38308859408802 0.92636204430697 0.20710023988642 15.999 > 69 70 O 0.38308859408802 0.92636204430697 0.70710023988642 15.999 > 69 71 O 0.11691140591198 0.07363795569303 0.45710023988642 15.999 > 71 72 O 0.11691140591198 0.07363795569303 0.95710023988642 15.999 > 71 73 Se 0.04700566911881 0.87394123445922 0.09003819341963 78.960 > 73 74 Se 0.04700566911881 0.87394123445922 0.59003819341964 78.960 > 73 75 Se 0.45299433088120 0.12605876554078 0.34003819341964 78.960 > 75 76 Se 0.45299433088120 0.12605876554078 0.84003819341964 78.960 > 75 77 Se 0.54700566911880 0.62605876554078 0.15996180658036 78.960 > 77 78 Se 0.54700566911880 0.62605876554078 0.65996180658036 78.960 > 77 79 Se 0.95299433088120 0.37394123445922 0.40996180658036 78.960 > 79 80 Se 0.95299433088120 0.37394123445922 0.90996180658036 78.960 > 79 81 Se 0.95605892791070 0.75000000000000 0.29507128184006 78.960 > 81 82 Se 0.95605892791070 0.75000000000000 0.79507128184006 78.960 > 81 83 Se 0.54394107208930 0.25000000000000 0.04507128184006 78.960 > 83 84 Se 0.54394107208930 0.25000000000000 0.54507128184006 78.960 > 83 85 Se 0.45605892791070 0.75000000000000 0.45492871815994 78.960 > 85 86 Se 0.45605892791070 0.75000000000000 0.95492871815994 78.960 > 85 87 Se 0.04394107208930 0.25000000000000 0.20492871815994 78.960 > 87 88 Se 0.04394107208930 0.25000000000000 0.70492871815994 78.960 > 87 89 Se 0.95299433088120 0.12605876554078 0.40996180658036 78.960 > 89 90 Se 0.95299433088120 0.12605876554078 0.90996180658036 78.960 > 89 91 Se 0.54700566911880 0.87394123445922 0.15996180658036 78.960 > 91 92 Se 0.54700566911880 0.87394123445922 0.65996180658036 78.960 > 91 93 Se 0.45299433088120 0.37394123445922 0.34003819341964 78.960 > 93 94 Se 0.45299433088120 0.37394123445922 0.84003819341964 78.960 > 93 95 Se 0.04700566911881 0.62605876554078 0.09003819341963 78.960 > 95 96 Se 0.04700566911881 0.62605876554078 0.59003819341964 78.960 > 95 97 La 0.30164914264963 0.06317806449197 0.09096558574324 138.905 > 97 98 La 0.30164914264963 0.06317806449197 0.59096558574324 138.905 > 97 99 La 0.19835085735037 0.93682193550803 0.34096558574324 138.905 > 99 100 La 0.19835085735037 0.93682193550803 0.84096558574324 138.905 > 99 101 La 0.80164914264963 0.43682193550803 0.15903441425676 138.905 > 101 102 La 0.80164914264963 0.43682193550803 0.65903441425676 138.905 > 101 103 La 0.69835085735037 0.56317806449197 0.40903441425676 138.905 > 103 104 La 0.69835085735037 0.56317806449197 0.90903441425676 138.905 > 103 105 La 0.69835085735037 0.93682193550803 0.40903441425676 138.905 > 105 106 La 0.69835085735037 0.93682193550803 0.90903441425676 138.905 > 105 107 La 0.80164914264963 0.06317806449197 0.15903441425676 138.905 > 107 108 La 0.80164914264963 0.06317806449197 0.65903441425676 138.905 > 107 109 La 0.19835085735037 0.56317806449197 0.34096558574324 138.905 > 109 110 La 0.19835085735037 0.56317806449197 0.84096558574324 138.905 > 109 111 La 0.30164914264963 0.43682193550803 0.09096558574324 138.905 > 111 112 La 0.30164914264963 0.43682193550803 0.59096558574324 138.905 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0249396 0.0000000 0.0000000 0.0000000 3.8751548 0.0000000 0.0000000 0.0000000 3.9947112 -------------------------- Born effective charges -------------------------- 1 O -1.8190863 0.3295380 0.4311559 0.0354303 -2.5619282 -1.1017726 0.1436408 -0.6099968 -1.3239874 2 O -1.8190863 0.3295380 -0.4311559 0.0354303 -2.5619282 1.1017726 -0.1436408 0.6099968 -1.3239874 3 O -1.8190863 -0.3295380 -0.4311559 -0.0354303 -2.5619282 -1.1017726 -0.1436408 -0.6099968 -1.3239874 4 O -1.8190863 -0.3295380 0.4311559 -0.0354303 -2.5619282 1.1017726 0.1436408 0.6099968 -1.3239874 5 O -1.8190863 0.3295380 0.4311559 0.0354303 -2.5619282 -1.1017726 0.1436408 -0.6099968 -1.3239874 6 O -1.8190863 0.3295380 -0.4311559 0.0354303 -2.5619282 1.1017726 -0.1436408 0.6099968 -1.3239874 7 O -1.8190863 -0.3295380 -0.4311559 -0.0354303 -2.5619282 -1.1017726 -0.1436408 -0.6099968 -1.3239874 8 O -1.8190863 -0.3295380 0.4311559 -0.0354303 -2.5619282 1.1017726 0.1436408 0.6099968 -1.3239874 9 O -1.9578127 0.0000000 -0.1987620 0.0000000 -1.8105068 0.0000000 0.3463306 0.0000000 -1.0791507 10 O -1.9578127 0.0000000 0.1987620 0.0000000 -1.8105068 0.0000000 -0.3463306 0.0000000 -1.0791507 11 O -1.9578127 0.0000000 0.1987620 0.0000000 -1.8105068 0.0000000 -0.3463306 0.0000000 -1.0791507 12 O -1.9578127 0.0000000 -0.1987620 0.0000000 -1.8105068 0.0000000 0.3463306 0.0000000 -1.0791507 13 O -2.5038588 0.9204043 -0.8648054 0.3763920 -1.2533981 -0.1849809 -0.7448090 0.1126959 -1.8035639 14 O -2.5038588 0.9204043 0.8648054 0.3763920 -1.2533981 0.1849809 0.7448090 -0.1126959 -1.8035639 15 O -2.5038588 -0.9204043 0.8648054 -0.3763920 -1.2533981 -0.1849809 0.7448090 0.1126959 -1.8035639 16 O -2.5038588 -0.9204043 -0.8648054 -0.3763920 -1.2533981 0.1849809 -0.7448090 -0.1126959 -1.8035639 17 O -1.9903099 0.5367271 0.7963652 0.1171886 -1.2911228 0.1217106 0.7481854 -0.3742572 -2.3218634 18 O -1.9903099 0.5367271 -0.7963652 0.1171886 -1.2911228 -0.1217106 -0.7481854 0.3742572 -2.3218634 19 O -1.9903099 -0.5367271 -0.7963652 -0.1171886 -1.2911228 0.1217106 -0.7481854 -0.3742572 -2.3218634 20 O -1.9903099 -0.5367271 0.7963652 -0.1171886 -1.2911228 -0.1217106 0.7481854 0.3742572 -2.3218634 21 O -1.9903099 0.5367271 0.7963652 0.1171886 -1.2911228 0.1217106 0.7481854 -0.3742572 -2.3218634 22 O -1.9903099 0.5367271 -0.7963652 0.1171886 -1.2911228 -0.1217106 -0.7481854 0.3742572 -2.3218634 23 O -1.9903099 -0.5367271 -0.7963652 -0.1171886 -1.2911228 0.1217106 -0.7481854 -0.3742572 -2.3218634 24 O -1.9903099 -0.5367271 0.7963652 -0.1171886 -1.2911228 -0.1217106 0.7481854 0.3742572 -2.3218634 25 O -1.7121970 0.2244125 -0.3654835 0.0749967 -1.7484390 0.1699837 -0.3162021 0.8345769 -2.3865802 26 O -1.7121970 0.2244125 0.3654835 0.0749967 -1.7484390 -0.1699837 0.3162021 -0.8345769 -2.3865802 27 O -1.7121970 -0.2244125 0.3654835 -0.0749967 -1.7484390 0.1699837 0.3162021 0.8345769 -2.3865802 28 O -1.7121970 -0.2244125 -0.3654835 -0.0749967 -1.7484390 -0.1699837 -0.3162021 -0.8345769 -2.3865802 29 O -1.7121970 0.2244125 -0.3654835 0.0749967 -1.7484390 0.1699837 -0.3162021 0.8345769 -2.3865802 30 O -1.7121970 0.2244125 0.3654835 0.0749967 -1.7484390 -0.1699837 0.3162021 -0.8345769 -2.3865802 31 O -1.7121970 -0.2244125 0.3654835 -0.0749967 -1.7484390 0.1699837 0.3162021 0.8345769 -2.3865802 32 O -1.7121970 -0.2244125 -0.3654835 -0.0749967 -1.7484390 -0.1699837 -0.3162021 -0.8345769 -2.3865802 33 O -2.5038588 -0.9204043 -0.8648054 -0.3763920 -1.2533981 0.1849809 -0.7448090 -0.1126959 -1.8035639 34 O -2.5038588 -0.9204043 0.8648054 -0.3763920 -1.2533981 -0.1849809 0.7448090 0.1126959 -1.8035639 35 O -2.5038588 0.9204043 0.8648054 0.3763920 -1.2533981 0.1849809 0.7448090 -0.1126959 -1.8035639 36 O -2.5038588 0.9204043 -0.8648054 0.3763920 -1.2533981 -0.1849809 -0.7448090 0.1126959 -1.8035639 37 Se 3.3321858 -0.0786991 0.0644643 -0.0817081 1.8711230 0.1667443 -0.1050917 0.1960169 2.8869797 38 Se 3.3321858 -0.0786991 -0.0644643 -0.0817081 1.8711230 -0.1667443 0.1050917 -0.1960169 2.8869797 39 Se 3.3321858 0.0786991 -0.0644643 0.0817081 1.8711230 0.1667443 0.1050917 0.1960169 2.8869797 40 Se 3.3321858 0.0786991 0.0644643 0.0817081 1.8711230 -0.1667443 -0.1050917 -0.1960169 2.8869797 41 Se 2.1519720 0.0000000 -0.5061486 0.0000000 3.6393374 0.0000000 -0.3208784 0.0000000 1.9398927 42 Se 2.1519720 0.0000000 0.5061486 0.0000000 3.6393374 0.0000000 0.3208784 0.0000000 1.9398927 43 Se 2.1519720 0.0000000 0.5061486 0.0000000 3.6393374 0.0000000 0.3208784 0.0000000 1.9398927 44 Se 2.1519720 0.0000000 -0.5061486 0.0000000 3.6393374 0.0000000 -0.3208784 0.0000000 1.9398927 45 Se 3.3321858 -0.0786991 0.0644643 -0.0817081 1.8711230 0.1667443 -0.1050917 0.1960169 2.8869797 46 Se 3.3321858 -0.0786991 -0.0644643 -0.0817081 1.8711230 -0.1667443 0.1050917 -0.1960169 2.8869797 47 Se 3.3321858 0.0786991 -0.0644643 0.0817081 1.8711230 0.1667443 0.1050917 0.1960169 2.8869797 48 Se 3.3321858 0.0786991 0.0644643 0.0817081 1.8711230 -0.1667443 -0.1050917 -0.1960169 2.8869797 49 La 4.5961867 0.2410458 0.6641584 -0.0006741 4.0693498 -0.1401252 -0.0070753 0.0772328 4.5186442 50 La 4.5961867 0.2410458 -0.6641584 -0.0006741 4.0693498 0.1401252 0.0070753 -0.0772328 4.5186442 51 La 4.5961867 -0.2410458 -0.6641584 0.0006741 4.0693498 -0.1401252 0.0070753 0.0772328 4.5186442 52 La 4.5961867 -0.2410458 0.6641584 0.0006741 4.0693498 0.1401252 -0.0070753 -0.0772328 4.5186442 53 La 4.5961867 0.2410458 0.6641584 -0.0006741 4.0693498 -0.1401252 -0.0070753 0.0772328 4.5186442 54 La 4.5961867 0.2410458 -0.6641584 -0.0006741 4.0693498 0.1401252 0.0070753 -0.0772328 4.5186442 55 La 4.5961867 -0.2410458 -0.6641584 0.0006741 4.0693498 -0.1401252 0.0070753 0.0772328 4.5186442 56 La 4.5961867 -0.2410458 0.6641584 0.0006741 4.0693498 0.1401252 -0.0070753 -0.0772328 4.5186442 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 4 7 ] 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: 0.44, Number of G-points: 293, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.808 ( 0.000 0.000 0.000) 0.000 1.110 ( 0.000 0.000 0.000) 0.000 1.497 ( 0.000 0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.257 ( 0.000 0.000 0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.436 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 2.980 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 3.093 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.625 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.703 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.853 ( 0.000 0.000 0.000) 0.000 3.965 ( 0.000 0.000 0.000) 0.000 3.976 ( 0.000 0.000 0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.234 ( 0.000 0.000 0.000) 0.000 4.317 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.412 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.558 ( 0.000 0.000 0.000) 0.000 4.584 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 4.880 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 4.977 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.096 ( 0.000 0.000 0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 5.626 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.731 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 5.821 ( 0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.132 ( 0.000 0.000 0.000) 0.000 6.189 ( 0.000 0.000 0.000) 0.000 6.363 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 0.000) 0.000 6.440 ( 0.000 0.000 0.000) 0.000 6.475 ( 0.000 0.000 0.000) 0.000 6.526 ( 0.000 0.000 0.000) 0.000 6.633 ( 0.000 0.000 0.000) 0.000 6.725 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 6.956 ( 0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.070 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.304 ( 0.000 0.000 0.000) 0.000 7.474 ( 0.000 0.000 0.000) 0.000 7.477 ( 0.000 0.000 0.000) 0.000 7.507 ( 0.000 0.000 0.000) 0.000 7.518 ( 0.000 0.000 0.000) 0.000 9.861 ( 0.000 0.000 0.000) 0.000 9.984 ( 0.000 0.000 0.000) 0.000 9.998 ( 0.000 0.000 0.000) 0.000 10.141 ( 0.000 0.000 0.000) 0.000 10.245 ( 0.000 0.000 0.000) 0.000 10.248 ( 0.000 0.000 0.000) 0.000 10.371 ( 0.000 0.000 0.000) 0.000 10.427 ( 0.000 0.000 0.000) 0.000 10.579 ( 0.000 0.000 0.000) 0.000 10.623 ( 0.000 0.000 0.000) 0.000 10.700 ( 0.000 0.000 0.000) 0.000 10.717 ( 0.000 0.000 0.000) 0.000 11.125 ( 0.000 0.000 0.000) 0.000 11.238 ( 0.000 0.000 0.000) 0.000 11.273 ( 0.000 0.000 0.000) 0.000 11.353 ( 0.000 0.000 0.000) 0.000 11.620 ( 0.000 0.000 0.000) 0.000 11.698 ( 0.000 0.000 0.000) 0.000 11.797 ( 0.000 0.000 0.000) 0.000 12.144 ( 0.000 0.000 0.000) 0.000 12.152 ( 0.000 0.000 0.000) 0.000 12.376 ( 0.000 0.000 0.000) 0.000 12.460 ( 0.000 0.000 0.000) 0.000 12.869 ( 0.000 0.000 0.000) 0.000 12.919 ( 0.000 0.000 0.000) 0.000 12.920 ( 0.000 0.000 0.000) 0.000 13.009 ( 0.000 0.000 0.000) 0.000 13.172 ( 0.000 0.000 0.000) 0.000 13.242 ( 0.000 0.000 0.000) 0.000 13.274 ( 0.000 0.000 0.000) 0.000 13.357 ( 0.000 0.000 0.000) 0.000 13.359 ( 0.000 0.000 0.000) 0.000 13.504 ( 0.000 0.000 0.000) 0.000 13.693 ( 0.000 0.000 0.000) 0.000 13.865 ( 0.000 0.000 0.000) 0.000 14.339 ( 0.000 0.000 0.000) 0.000 19.498 ( 0.000 0.000 0.000) 0.000 19.680 ( 0.000 0.000 0.000) 0.000 19.704 ( 0.000 0.000 0.000) 0.000 19.842 ( 0.000 0.000 0.000) 0.000 20.242 ( 0.000 0.000 0.000) 0.000 20.267 ( 0.000 0.000 0.000) 0.000 20.598 ( 0.000 0.000 0.000) 0.000 20.836 ( 0.000 0.000 0.000) 0.000 21.027 ( 0.000 0.000 0.000) 0.000 21.034 ( 0.000 0.000 0.000) 0.000 21.047 ( 0.000 0.000 0.000) 0.000 21.267 ( 0.000 0.000 0.000) 0.000 21.288 ( 0.000 0.000 0.000) 0.000 21.334 ( 0.000 0.000 0.000) 0.000 21.394 ( 0.000 0.000 0.000) 0.000 21.410 ( 0.000 0.000 0.000) 0.000 21.425 ( 0.000 0.000 0.000) 0.000 21.572 ( 0.000 0.000 0.000) 0.000 21.577 ( 0.000 0.000 0.000) 0.000 21.661 ( 0.000 0.000 0.000) 0.000 21.938 ( 0.000 0.000 0.000) 0.000 22.363 ( 0.000 0.000 0.000) 0.000 22.836 ( 0.000 0.000 0.000) 0.000 22.984 ( 0.000 0.000 0.000) 0.000 23.548 ( 0.000 0.000 0.000) 0.000 23.552 ( 0.000 0.000 0.000) 0.000 23.646 ( 0.000 0.000 0.000) 0.000 23.777 ( 0.000 0.000 0.000) 0.000 23.973 ( 0.000 0.000 0.000) 0.000 24.006 ( 0.000 0.000 0.000) 0.000 24.188 ( 0.000 0.000 0.000) 0.000 24.475 ( 0.000 0.000 0.000) 0.000 24.608 ( 0.000 0.000 0.000) 0.000 24.640 ( 0.000 0.000 0.000) 0.000 24.653 ( 0.000 0.000 0.000) 0.000 24.697 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 10.279 0.000 0.000) 10.279 0.406 ( 19.105 0.000 0.000) 19.105 0.718 ( 32.562 0.000 0.000) 32.562 0.833 ( 1.641 0.000 0.000) 1.641 1.010 ( -5.782 0.000 0.000) 5.782 1.469 ( -3.997 0.000 0.000) 3.997 1.475 ( -1.656 0.000 0.000) 1.656 1.678 ( -10.282 0.000 0.000) 10.282 2.149 ( 3.673 0.000 0.000) 3.673 2.180 ( -2.680 0.000 0.000) 2.680 2.221 ( 0.969 0.000 0.000) 0.969 2.246 ( -1.364 0.000 0.000) 1.364 2.358 ( 8.347 0.000 0.000) 8.347 2.362 ( 4.603 0.000 0.000) 4.603 2.371 ( 1.194 0.000 0.000) 1.194 2.425 ( -1.482 0.000 0.000) 1.482 2.603 ( -0.388 0.000 0.000) 0.388 2.613 ( -4.391 0.000 0.000) 4.391 2.649 ( -9.440 0.000 0.000) 9.440 2.743 ( -6.873 0.000 0.000) 6.873 2.765 ( -0.957 0.000 0.000) 0.957 2.831 ( -13.544 0.000 0.000) 13.544 2.915 ( -6.621 0.000 0.000) 6.621 2.934 ( -3.254 0.000 0.000) 3.254 2.987 ( -3.224 0.000 0.000) 3.224 2.987 ( -3.016 0.000 0.000) 3.016 3.103 ( 1.112 0.000 0.000) 1.112 3.110 ( -10.274 0.000 0.000) 10.274 3.233 ( 1.859 0.000 0.000) 1.859 3.267 ( 5.547 0.000 0.000) 5.547 3.357 ( 3.199 0.000 0.000) 3.199 3.414 ( 1.858 0.000 0.000) 1.858 3.448 ( -2.002 0.000 0.000) 2.002 3.471 ( 6.114 0.000 0.000) 6.114 3.511 ( -9.674 0.000 0.000) 9.674 3.549 ( 5.542 0.000 0.000) 5.542 3.596 ( 3.236 0.000 0.000) 3.236 3.625 ( 1.927 0.000 0.000) 1.927 3.703 ( -0.228 0.000 0.000) 0.228 3.809 ( -2.281 0.000 0.000) 2.281 3.824 ( 3.771 0.000 0.000) 3.771 3.830 ( 5.261 0.000 0.000) 5.261 3.956 ( 9.521 0.000 0.000) 9.521 3.960 ( -1.509 0.000 0.000) 1.509 4.068 ( 7.083 0.000 0.000) 7.083 4.132 ( -11.476 0.000 0.000) 11.476 4.222 ( -7.371 0.000 0.000) 7.371 4.265 ( 12.689 0.000 0.000) 12.689 4.312 ( -14.308 0.000 0.000) 14.308 4.447 ( 0.494 0.000 0.000) 0.494 4.482 ( -4.305 0.000 0.000) 4.305 4.529 ( -5.003 0.000 0.000) 5.003 4.635 ( -0.979 0.000 0.000) 0.979 4.643 ( 1.105 0.000 0.000) 1.105 4.686 ( 9.030 0.000 0.000) 9.030 4.693 ( -3.138 0.000 0.000) 3.138 4.711 ( 1.564 0.000 0.000) 1.564 4.803 ( -0.846 0.000 0.000) 0.846 4.865 ( 6.093 0.000 0.000) 6.093 4.934 ( 3.438 0.000 0.000) 3.438 4.952 ( -0.122 0.000 0.000) 0.122 4.968 ( 5.570 0.000 0.000) 5.570 5.040 ( 9.902 0.000 0.000) 9.902 5.143 ( 4.595 0.000 0.000) 4.595 5.194 ( 8.358 0.000 0.000) 8.358 5.242 ( 10.678 0.000 0.000) 10.678 5.330 ( 1.812 0.000 0.000) 1.812 5.497 ( -0.963 0.000 0.000) 0.963 5.615 ( -1.090 0.000 0.000) 1.090 5.618 ( 2.068 0.000 0.000) 2.068 5.649 ( -1.468 0.000 0.000) 1.468 5.696 ( 2.541 0.000 0.000) 2.541 5.753 ( -2.840 0.000 0.000) 2.840 5.841 ( 1.991 0.000 0.000) 1.991 5.946 ( -5.270 0.000 0.000) 5.270 6.032 ( -6.980 0.000 0.000) 6.980 6.066 ( -3.541 0.000 0.000) 3.541 6.164 ( 2.846 0.000 0.000) 2.846 6.234 ( 1.599 0.000 0.000) 1.599 6.359 ( -6.731 0.000 0.000) 6.731 6.360 ( -2.060 0.000 0.000) 2.060 6.464 ( -5.921 0.000 0.000) 5.921 6.492 ( 5.666 0.000 0.000) 5.666 6.623 ( -0.901 0.000 0.000) 0.901 6.697 ( -2.484 0.000 0.000) 2.484 6.706 ( -4.225 0.000 0.000) 4.225 6.818 ( 0.967 0.000 0.000) 0.967 6.895 ( -4.949 0.000 0.000) 4.949 7.100 ( 2.537 0.000 0.000) 2.537 7.208 ( -1.567 0.000 0.000) 1.567 7.278 ( 2.457 0.000 0.000) 2.457 7.318 ( 1.273 0.000 0.000) 1.273 7.495 ( 1.635 0.000 0.000) 1.635 7.506 ( 2.787 0.000 0.000) 2.787 7.520 ( 1.141 0.000 0.000) 1.141 7.550 ( 2.488 0.000 0.000) 2.488 9.836 ( -1.896 0.000 0.000) 1.896 9.954 ( -2.724 0.000 0.000) 2.724 10.010 ( 1.065 0.000 0.000) 1.065 10.144 ( 0.398 0.000 0.000) 0.398 10.245 ( -0.072 0.000 0.000) 0.072 10.253 ( 0.818 0.000 0.000) 0.818 10.317 ( -12.964 0.000 0.000) 12.964 10.371 ( -14.891 0.000 0.000) 14.891 10.398 ( 2.411 0.000 0.000) 2.411 10.487 ( -11.656 0.000 0.000) 11.656 10.635 ( -7.683 0.000 0.000) 7.683 10.806 ( -5.747 0.000 0.000) 5.747 11.274 ( 9.759 0.000 0.000) 9.759 11.382 ( 11.629 0.000 0.000) 11.629 11.459 ( 13.156 0.000 0.000) 13.156 11.593 ( -2.057 0.000 0.000) 2.057 11.727 ( 2.012 0.000 0.000) 2.012 11.792 ( -0.425 0.000 0.000) 0.425 11.931 ( 3.663 0.000 0.000) 3.663 12.156 ( 0.926 0.000 0.000) 0.926 12.185 ( 3.108 0.000 0.000) 3.108 12.449 ( -1.144 0.000 0.000) 1.144 12.452 ( 7.145 0.000 0.000) 7.145 12.882 ( 1.263 0.000 0.000) 1.263 12.917 ( -0.379 0.000 0.000) 0.379 13.008 ( -0.167 0.000 0.000) 0.167 13.184 ( 1.299 0.000 0.000) 1.299 13.232 ( -0.947 0.000 0.000) 0.947 13.253 ( -1.523 0.000 0.000) 1.523 13.344 ( -1.060 0.000 0.000) 1.060 13.405 ( 3.870 0.000 0.000) 3.870 13.492 ( 1.974 0.000 0.000) 1.974 13.512 ( 0.708 0.000 0.000) 0.708 13.678 ( -1.478 0.000 0.000) 1.478 13.876 ( 1.197 0.000 0.000) 1.197 14.372 ( -8.373 0.000 0.000) 8.373 19.515 ( 1.565 0.000 0.000) 1.565 19.670 ( -1.058 0.000 0.000) 1.058 19.696 ( -0.780 0.000 0.000) 0.780 19.816 ( -5.992 0.000 0.000) 5.992 20.284 ( 4.016 0.000 0.000) 4.016 20.351 ( 7.106 0.000 0.000) 7.106 20.582 ( -1.363 0.000 0.000) 1.363 20.900 ( 6.029 0.000 0.000) 6.029 21.015 ( -3.499 0.000 0.000) 3.499 21.028 ( 0.270 0.000 0.000) 0.270 21.104 ( 5.394 0.000 0.000) 5.394 21.245 ( -1.778 0.000 0.000) 1.778 21.274 ( -1.834 0.000 0.000) 1.834 21.395 ( -0.281 0.000 0.000) 0.281 21.403 ( -0.065 0.000 0.000) 0.065 21.439 ( 1.567 0.000 0.000) 1.567 21.547 ( 2.860 0.000 0.000) 2.860 21.570 ( -0.694 0.000 0.000) 0.694 21.626 ( -3.363 0.000 0.000) 3.363 21.920 ( -1.845 0.000 0.000) 1.845 22.403 ( 3.713 0.000 0.000) 3.713 22.794 ( -4.014 0.000 0.000) 4.014 22.992 ( 0.879 0.000 0.000) 0.879 23.203 ( -2.252 0.000 0.000) 2.252 23.560 ( 1.140 0.000 0.000) 1.140 23.641 ( -0.454 0.000 0.000) 0.454 23.753 ( -0.080 0.000 0.000) 0.080 23.771 ( -0.491 0.000 0.000) 0.491 23.986 ( 1.079 0.000 0.000) 1.079 24.007 ( 0.113 0.000 0.000) 0.113 24.214 ( 2.532 0.000 0.000) 2.532 24.504 ( 2.740 0.000 0.000) 2.740 24.568 ( -3.749 0.000 0.000) 3.749 24.677 ( 2.370 0.000 0.000) 2.370 24.693 ( -0.460 0.000 0.000) 0.460 25.088 ( -4.386 0.000 0.000) 4.386 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 3.725 0.000 0.000) 3.725 0.730 ( 13.436 0.000 0.000) 13.436 0.794 ( -7.745 0.000 0.000) 7.745 1.074 ( 12.538 0.000 0.000) 12.538 1.102 ( 1.513 0.000 0.000) 1.513 1.405 ( -1.274 0.000 0.000) 1.274 1.474 ( 2.676 0.000 0.000) 2.676 1.600 ( 2.818 0.000 0.000) 2.818 2.127 ( 2.152 0.000 0.000) 2.152 2.138 ( -0.396 0.000 0.000) 0.396 2.230 ( -0.501 0.000 0.000) 0.501 2.256 ( 2.604 0.000 0.000) 2.604 2.297 ( -7.057 0.000 0.000) 7.057 2.380 ( -2.641 0.000 0.000) 2.641 2.461 ( -2.833 0.000 0.000) 2.833 2.468 ( -18.946 0.000 0.000) 18.946 2.540 ( 8.526 0.000 0.000) 8.526 2.562 ( 0.751 0.000 0.000) 0.751 2.622 ( 0.007 0.000 0.000) 0.007 2.629 ( 1.953 0.000 0.000) 1.953 2.635 ( 6.336 0.000 0.000) 6.336 2.674 ( -8.130 0.000 0.000) 8.130 2.810 ( -4.270 0.000 0.000) 4.270 2.886 ( -8.260 0.000 0.000) 8.260 2.886 ( -0.191 0.000 0.000) 0.191 2.934 ( -6.239 0.000 0.000) 6.239 2.938 ( -2.475 0.000 0.000) 2.475 3.158 ( 4.327 0.000 0.000) 4.327 3.257 ( 1.878 0.000 0.000) 1.878 3.261 ( -15.816 0.000 0.000) 15.816 3.348 ( -1.156 0.000 0.000) 1.156 3.415 ( -1.658 0.000 0.000) 1.658 3.442 ( 8.982 0.000 0.000) 8.982 3.449 ( 1.705 0.000 0.000) 1.705 3.553 ( 3.578 0.000 0.000) 3.578 3.569 ( -5.640 0.000 0.000) 5.640 3.669 ( 5.522 0.000 0.000) 5.522 3.756 ( 8.764 0.000 0.000) 8.764 3.761 ( 4.961 0.000 0.000) 4.961 3.808 ( -6.697 0.000 0.000) 6.697 3.813 ( 4.348 0.000 0.000) 4.348 3.868 ( -7.075 0.000 0.000) 7.075 3.943 ( 4.481 0.000 0.000) 4.481 3.958 ( -5.355 0.000 0.000) 5.355 4.035 ( -11.164 0.000 0.000) 11.164 4.119 ( -4.053 0.000 0.000) 4.053 4.149 ( 8.162 0.000 0.000) 8.162 4.201 ( 5.820 0.000 0.000) 5.820 4.369 ( -6.472 0.000 0.000) 6.472 4.410 ( -5.958 0.000 0.000) 5.958 4.426 ( 3.657 0.000 0.000) 3.657 4.467 ( 1.186 0.000 0.000) 1.186 4.623 ( -0.305 0.000 0.000) 0.305 4.631 ( -1.281 0.000 0.000) 1.281 4.686 ( 1.680 0.000 0.000) 1.680 4.767 ( -2.274 0.000 0.000) 2.274 4.773 ( 5.023 0.000 0.000) 5.023 4.828 ( 5.537 0.000 0.000) 5.537 4.988 ( 3.355 0.000 0.000) 3.355 4.988 ( 5.522 0.000 0.000) 5.522 4.990 ( 0.958 0.000 0.000) 0.958 5.030 ( 0.514 0.000 0.000) 0.514 5.265 ( 7.171 0.000 0.000) 7.171 5.312 ( 0.228 0.000 0.000) 0.228 5.324 ( 3.056 0.000 0.000) 3.056 5.334 ( 14.736 0.000 0.000) 14.736 5.454 ( -2.129 0.000 0.000) 2.129 5.506 ( 10.755 0.000 0.000) 10.755 5.584 ( -1.990 0.000 0.000) 1.990 5.626 ( 0.159 0.000 0.000) 0.159 5.694 ( 5.013 0.000 0.000) 5.013 5.708 ( -1.474 0.000 0.000) 1.474 5.756 ( 4.421 0.000 0.000) 4.421 5.826 ( -6.661 0.000 0.000) 6.661 5.895 ( -3.426 0.000 0.000) 3.426 5.902 ( 1.090 0.000 0.000) 1.090 5.986 ( -3.563 0.000 0.000) 3.563 6.127 ( -9.056 0.000 0.000) 9.056 6.231 ( -1.788 0.000 0.000) 1.788 6.266 ( 0.232 0.000 0.000) 0.232 6.315 ( -1.966 0.000 0.000) 1.966 6.319 ( -7.813 0.000 0.000) 7.813 6.595 ( -2.134 0.000 0.000) 2.134 6.615 ( -4.102 0.000 0.000) 4.102 6.635 ( 7.843 0.000 0.000) 7.843 6.662 ( 0.137 0.000 0.000) 0.137 6.794 ( -5.061 0.000 0.000) 5.061 6.828 ( -0.626 0.000 0.000) 0.626 7.147 ( 1.748 0.000 0.000) 1.748 7.176 ( -1.265 0.000 0.000) 1.265 7.331 ( 2.464 0.000 0.000) 2.464 7.347 ( 1.371 0.000 0.000) 1.371 7.529 ( 1.568 0.000 0.000) 1.568 7.543 ( 0.938 0.000 0.000) 0.938 7.562 ( 2.502 0.000 0.000) 2.502 7.590 ( 1.269 0.000 0.000) 1.269 9.818 ( 0.847 0.000 0.000) 0.847 9.902 ( -1.695 0.000 0.000) 1.695 10.041 ( 2.248 0.000 0.000) 2.248 10.066 ( -10.883 0.000 0.000) 10.883 10.089 ( -12.734 0.000 0.000) 12.734 10.162 ( 1.515 0.000 0.000) 1.515 10.237 ( -0.963 0.000 0.000) 0.963 10.263 ( -9.835 0.000 0.000) 9.835 10.286 ( 2.509 0.000 0.000) 2.509 10.460 ( 3.923 0.000 0.000) 3.923 10.472 ( -7.725 0.000 0.000) 7.725 10.683 ( -6.637 0.000 0.000) 6.637 11.423 ( 5.395 0.000 0.000) 5.395 11.551 ( -2.198 0.000 0.000) 2.198 11.601 ( 9.065 0.000 0.000) 9.065 11.673 ( 7.524 0.000 0.000) 7.524 11.754 ( 0.316 0.000 0.000) 0.316 11.783 ( -0.552 0.000 0.000) 0.552 12.024 ( 5.422 0.000 0.000) 5.422 12.163 ( -0.552 0.000 0.000) 0.552 12.264 ( 4.547 0.000 0.000) 4.547 12.414 ( -2.487 0.000 0.000) 2.487 12.627 ( 9.612 0.000 0.000) 9.612 12.892 ( -2.621 0.000 0.000) 2.621 12.918 ( 2.261 0.000 0.000) 2.261 12.997 ( -1.111 0.000 0.000) 1.111 13.211 ( -0.948 0.000 0.000) 0.948 13.223 ( 2.539 0.000 0.000) 2.539 13.224 ( -1.345 0.000 0.000) 1.345 13.318 ( -1.633 0.000 0.000) 1.633 13.490 ( 4.422 0.000 0.000) 4.422 13.528 ( 1.339 0.000 0.000) 1.339 13.529 ( 0.882 0.000 0.000) 0.882 13.636 ( -2.742 0.000 0.000) 2.742 13.916 ( 3.086 0.000 0.000) 3.086 14.178 ( -10.030 0.000 0.000) 10.030 19.553 ( 2.222 0.000 0.000) 2.222 19.640 ( -1.870 0.000 0.000) 1.870 19.678 ( -0.750 0.000 0.000) 0.750 19.716 ( -3.600 0.000 0.000) 3.600 20.384 ( 5.539 0.000 0.000) 5.539 20.518 ( 9.499 0.000 0.000) 9.499 20.547 ( -2.309 0.000 0.000) 2.309 20.900 ( -8.019 0.000 0.000) 8.019 21.048 ( 1.962 0.000 0.000) 1.962 21.051 ( 8.615 0.000 0.000) 8.615 21.184 ( 2.180 0.000 0.000) 2.180 21.209 ( -4.333 0.000 0.000) 4.333 21.216 ( -0.955 0.000 0.000) 0.955 21.360 ( -3.882 0.000 0.000) 3.882 21.424 ( 2.069 0.000 0.000) 2.069 21.482 ( 2.321 0.000 0.000) 2.321 21.546 ( -4.161 0.000 0.000) 4.161 21.551 ( -1.190 0.000 0.000) 1.190 21.640 ( 6.263 0.000 0.000) 6.263 21.864 ( -3.837 0.000 0.000) 3.837 22.492 ( 4.871 0.000 0.000) 4.871 22.696 ( -5.433 0.000 0.000) 5.433 23.020 ( 2.017 0.000 0.000) 2.017 23.143 ( -3.557 0.000 0.000) 3.557 23.587 ( 1.403 0.000 0.000) 1.403 23.629 ( -0.737 0.000 0.000) 0.737 23.753 ( 0.091 0.000 0.000) 0.091 23.762 ( -0.355 0.000 0.000) 0.355 24.006 ( 0.763 0.000 0.000) 0.763 24.010 ( 0.242 0.000 0.000) 0.242 24.282 ( 4.189 0.000 0.000) 4.189 24.476 ( -5.196 0.000 0.000) 5.196 24.570 ( 3.604 0.000 0.000) 3.604 24.676 ( -1.411 0.000 0.000) 1.411 24.744 ( 4.388 0.000 0.000) 4.388 24.976 ( -6.490 0.000 0.000) 6.490 ======================= Grid point 3 (4/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -14.058 0.000 0.000) 14.058 0.550 ( 14.058 0.000 0.000) 14.058 0.960 ( -10.651 0.000 0.000) 10.651 0.960 ( 10.651 0.000 0.000) 10.651 1.337 ( -9.281 0.000 0.000) 9.281 1.337 ( 9.281 0.000 0.000) 9.281 1.574 ( -5.598 0.000 0.000) 5.598 1.574 ( 5.598 0.000 0.000) 5.598 2.184 ( -5.623 0.000 0.000) 5.623 2.184 ( 5.623 0.000 0.000) 5.623 2.216 ( -1.207 0.000 0.000) 1.207 2.216 ( 1.207 0.000 0.000) 1.207 2.272 ( -6.115 0.000 0.000) 6.115 2.272 ( 6.115 0.000 0.000) 6.115 2.376 ( -4.823 0.000 0.000) 4.823 2.376 ( 4.823 0.000 0.000) 4.823 2.522 ( -3.773 0.000 0.000) 3.773 2.522 ( 3.773 0.000 0.000) 3.773 2.663 ( -1.623 0.000 0.000) 1.623 2.663 ( 1.623 0.000 0.000) 1.623 2.747 ( -3.195 0.000 0.000) 3.195 2.747 ( 3.195 0.000 0.000) 3.195 2.804 ( -6.911 0.000 0.000) 6.911 2.804 ( 6.911 0.000 0.000) 6.911 2.832 ( -12.329 0.000 0.000) 12.329 2.832 ( 12.329 0.000 0.000) 12.329 2.952 ( -8.435 0.000 0.000) 8.435 2.952 ( 8.435 0.000 0.000) 8.435 3.270 ( -5.617 0.000 0.000) 5.617 3.270 ( 5.617 0.000 0.000) 5.617 3.333 ( -5.427 0.000 0.000) 5.427 3.333 ( 5.427 0.000 0.000) 5.427 3.489 ( -2.302 0.000 0.000) 2.302 3.489 ( 2.302 0.000 0.000) 2.302 3.655 ( -7.145 0.000 0.000) 7.145 3.655 ( 7.145 0.000 0.000) 7.145 3.661 ( -11.910 0.000 0.000) 11.910 3.661 ( 11.910 0.000 0.000) 11.910 3.764 ( -3.958 0.000 0.000) 3.958 3.764 ( 3.958 0.000 0.000) 3.958 3.884 ( -6.093 0.000 0.000) 6.093 3.884 ( 6.093 0.000 0.000) 6.093 3.957 ( -2.712 0.000 0.000) 2.712 3.957 ( 2.712 0.000 0.000) 2.712 3.990 ( -9.436 0.000 0.000) 9.436 3.990 ( 9.436 0.000 0.000) 9.436 4.263 ( -4.354 0.000 0.000) 4.354 4.263 ( 4.354 0.000 0.000) 4.354 4.301 ( -4.780 0.000 0.000) 4.780 4.301 ( 4.780 0.000 0.000) 4.780 4.470 ( -1.069 0.000 0.000) 1.069 4.470 ( 1.069 0.000 0.000) 1.069 4.620 ( -0.025 0.000 0.000) 0.025 4.620 ( 0.025 0.000 0.000) 0.025 4.724 ( -2.055 0.000 0.000) 2.055 4.724 ( 2.055 0.000 0.000) 2.055 4.875 ( -3.003 0.000 0.000) 3.003 4.875 ( 3.003 0.000 0.000) 3.003 4.995 ( -2.237 0.000 0.000) 2.237 4.995 ( 2.237 0.000 0.000) 2.237 5.046 ( -0.789 0.000 0.000) 0.789 5.046 ( 0.789 0.000 0.000) 0.789 5.317 ( -1.405 0.000 0.000) 1.405 5.317 ( 1.405 0.000 0.000) 1.405 5.384 ( -3.908 0.000 0.000) 3.908 5.384 ( 3.908 0.000 0.000) 3.908 5.536 ( -3.843 0.000 0.000) 3.843 5.536 ( 3.843 0.000 0.000) 3.843 5.662 ( -0.868 0.000 0.000) 0.868 5.662 ( 0.868 0.000 0.000) 0.868 5.689 ( -5.722 0.000 0.000) 5.722 5.689 ( 5.722 0.000 0.000) 5.722 5.793 ( -4.742 0.000 0.000) 4.742 5.793 ( 4.742 0.000 0.000) 4.742 5.914 ( -10.801 0.000 0.000) 10.801 5.914 ( 10.801 0.000 0.000) 10.801 5.956 ( -0.768 0.000 0.000) 0.768 5.956 ( 0.768 0.000 0.000) 0.768 6.208 ( -1.801 0.000 0.000) 1.801 6.208 ( 1.801 0.000 0.000) 1.801 6.286 ( -1.138 0.000 0.000) 1.138 6.286 ( 1.138 0.000 0.000) 1.138 6.569 ( -0.308 0.000 0.000) 0.308 6.569 ( 0.308 0.000 0.000) 0.308 6.704 ( -3.678 0.000 0.000) 3.678 6.704 ( 3.678 0.000 0.000) 3.678 6.771 ( -5.258 0.000 0.000) 5.258 6.771 ( 5.258 0.000 0.000) 5.258 7.164 ( -0.246 0.000 0.000) 0.246 7.164 ( 0.246 0.000 0.000) 0.246 7.360 ( -0.303 0.000 0.000) 0.303 7.360 ( 0.303 0.000 0.000) 0.303 7.549 ( -0.342 0.000 0.000) 0.342 7.549 ( 0.342 0.000 0.000) 0.342 7.595 ( -0.754 0.000 0.000) 0.754 7.595 ( 0.754 0.000 0.000) 0.754 9.892 ( -6.871 0.000 0.000) 6.871 9.892 ( 6.871 0.000 0.000) 6.871 9.918 ( -3.900 0.000 0.000) 3.900 9.918 ( 3.900 0.000 0.000) 3.900 10.113 ( -5.401 0.000 0.000) 5.401 10.113 ( 5.401 0.000 0.000) 5.401 10.203 ( -2.288 0.000 0.000) 2.288 10.203 ( 2.288 0.000 0.000) 2.288 10.352 ( -4.371 0.000 0.000) 4.371 10.352 ( 4.371 0.000 0.000) 4.371 10.556 ( -5.819 0.000 0.000) 5.819 10.556 ( 5.819 0.000 0.000) 5.819 11.502 ( -2.959 0.000 0.000) 2.959 11.502 ( 2.959 0.000 0.000) 2.959 11.725 ( -3.597 0.000 0.000) 3.597 11.725 ( 3.597 0.000 0.000) 3.597 11.761 ( -2.101 0.000 0.000) 2.101 11.761 ( 2.101 0.000 0.000) 2.101 12.122 ( -3.792 0.000 0.000) 3.792 12.122 ( 3.792 0.000 0.000) 3.792 12.350 ( -3.913 0.000 0.000) 3.913 12.350 ( 3.913 0.000 0.000) 3.913 12.798 ( -7.020 0.000 0.000) 7.020 12.798 ( 7.020 0.000 0.000) 7.020 12.964 ( -2.172 0.000 0.000) 2.172 12.964 ( 2.172 0.000 0.000) 2.172 13.205 ( -0.448 0.000 0.000) 0.448 13.205 ( 0.448 0.000 0.000) 0.448 13.276 ( -2.598 0.000 0.000) 2.598 13.276 ( 2.598 0.000 0.000) 2.598 13.540 ( -0.084 0.000 0.000) 0.084 13.540 ( 0.084 0.000 0.000) 0.084 13.572 ( -3.736 0.000 0.000) 3.736 13.572 ( 3.736 0.000 0.000) 3.736 14.010 ( -6.614 0.000 0.000) 6.614 14.010 ( 6.614 0.000 0.000) 6.614 19.599 ( -2.271 0.000 0.000) 2.271 19.599 ( 2.271 0.000 0.000) 2.271 19.675 ( -0.691 0.000 0.000) 0.691 19.675 ( 0.691 0.000 0.000) 0.691 20.484 ( -4.211 0.000 0.000) 4.211 20.484 ( 4.211 0.000 0.000) 4.211 20.715 ( -10.123 0.000 0.000) 10.123 20.715 ( 10.123 0.000 0.000) 10.123 21.108 ( -3.829 0.000 0.000) 3.829 21.108 ( 3.829 0.000 0.000) 3.829 21.205 ( -0.448 0.000 0.000) 0.448 21.205 ( 0.448 0.000 0.000) 0.448 21.236 ( -7.960 0.000 0.000) 7.960 21.236 ( 7.960 0.000 0.000) 7.960 21.476 ( -3.010 0.000 0.000) 3.010 21.476 ( 3.010 0.000 0.000) 3.010 21.522 ( -1.716 0.000 0.000) 1.716 21.522 ( 1.716 0.000 0.000) 1.716 21.767 ( -5.951 0.000 0.000) 5.951 21.767 ( 5.951 0.000 0.000) 5.951 22.590 ( -5.128 0.000 0.000) 5.128 22.590 ( 5.128 0.000 0.000) 5.128 23.073 ( -3.273 0.000 0.000) 3.273 23.073 ( 3.273 0.000 0.000) 3.273 23.612 ( -1.046 0.000 0.000) 1.046 23.612 ( 1.046 0.000 0.000) 1.046 23.756 ( -0.220 0.000 0.000) 0.220 23.756 ( 0.220 0.000 0.000) 0.220 24.013 ( -0.029 0.000 0.000) 0.029 24.013 ( 0.029 0.000 0.000) 0.029 24.374 ( -4.972 0.000 0.000) 4.972 24.374 ( 4.972 0.000 0.000) 4.972 24.635 ( -2.753 0.000 0.000) 2.753 24.635 ( 2.753 0.000 0.000) 2.753 24.849 ( -6.068 0.000 0.000) 6.068 24.849 ( 6.068 0.000 0.000) 6.068 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( 0.000 14.082 0.000) 14.082 0.369 ( 0.000 20.790 0.000) 20.790 0.711 ( 0.000 -10.033 0.000) 10.033 0.715 ( 0.000 38.232 0.000) 38.232 1.033 ( 0.000 -14.260 0.000) 14.260 1.520 ( 0.000 1.794 0.000) 1.794 1.523 ( 0.000 1.009 0.000) 1.009 1.727 ( 0.000 -17.179 0.000) 17.179 2.065 ( 0.000 10.465 0.000) 10.465 2.226 ( 0.000 1.514 0.000) 1.514 2.229 ( 0.000 2.347 0.000) 2.347 2.316 ( 0.000 4.768 0.000) 4.768 2.332 ( 0.000 -0.802 0.000) 0.802 2.383 ( 0.000 11.289 0.000) 11.289 2.390 ( 0.000 -4.747 0.000) 4.747 2.467 ( 0.000 6.761 0.000) 6.761 2.543 ( 0.000 -6.278 0.000) 6.278 2.548 ( 0.000 -10.870 0.000) 10.870 2.776 ( 0.000 1.525 0.000) 1.525 2.820 ( 0.000 4.689 0.000) 4.689 2.887 ( 0.000 1.712 0.000) 1.712 2.935 ( 0.000 -1.005 0.000) 1.005 2.978 ( 0.000 -1.803 0.000) 1.803 3.004 ( 0.000 -0.440 0.000) 0.440 3.065 ( 0.000 3.425 0.000) 3.425 3.066 ( 0.000 -2.623 0.000) 2.623 3.113 ( 0.000 5.196 0.000) 5.196 3.121 ( 0.000 -8.830 0.000) 8.830 3.163 ( 0.000 -2.503 0.000) 2.503 3.223 ( 0.000 -2.341 0.000) 2.341 3.290 ( 0.000 -3.416 0.000) 3.416 3.390 ( 0.000 -1.444 0.000) 1.444 3.391 ( 0.000 10.106 0.000) 10.106 3.515 ( 0.000 2.941 0.000) 2.941 3.557 ( 0.000 -0.177 0.000) 0.177 3.621 ( 0.000 -0.285 0.000) 0.285 3.672 ( 0.000 -0.922 0.000) 0.922 3.716 ( 0.000 6.874 0.000) 6.874 3.718 ( 0.000 -6.562 0.000) 6.562 3.739 ( 0.000 -3.079 0.000) 3.079 3.805 ( 0.000 4.664 0.000) 4.664 3.884 ( 0.000 3.881 0.000) 3.881 3.902 ( 0.000 -7.114 0.000) 7.114 3.908 ( 0.000 2.415 0.000) 2.415 3.942 ( 0.000 -2.447 0.000) 2.447 4.175 ( 0.000 -14.015 0.000) 14.015 4.176 ( 0.000 1.371 0.000) 1.371 4.223 ( 0.000 -1.128 0.000) 1.128 4.326 ( 0.000 -1.032 0.000) 1.032 4.358 ( 0.000 -3.686 0.000) 3.686 4.510 ( 0.000 0.657 0.000) 0.657 4.585 ( 0.000 6.592 0.000) 6.592 4.587 ( 0.000 -3.050 0.000) 3.050 4.587 ( 0.000 0.417 0.000) 0.417 4.633 ( 0.000 -1.842 0.000) 1.842 4.661 ( 0.000 7.398 0.000) 7.398 4.676 ( 0.000 -0.618 0.000) 0.618 4.790 ( 0.000 2.020 0.000) 2.020 4.858 ( 0.000 -1.586 0.000) 1.586 4.876 ( 0.000 -2.443 0.000) 2.443 4.890 ( 0.000 4.538 0.000) 4.538 4.908 ( 0.000 0.707 0.000) 0.707 4.956 ( 0.000 -2.002 0.000) 2.002 5.061 ( 0.000 -1.820 0.000) 1.820 5.142 ( 0.000 4.509 0.000) 4.509 5.299 ( 0.000 -3.224 0.000) 3.224 5.490 ( 0.000 -0.358 0.000) 0.358 5.553 ( 0.000 -2.642 0.000) 2.642 5.554 ( 0.000 -4.380 0.000) 4.380 5.668 ( 0.000 -7.765 0.000) 7.765 5.700 ( 0.000 3.569 0.000) 3.569 5.750 ( 0.000 1.534 0.000) 1.534 5.795 ( 0.000 8.842 0.000) 8.842 5.914 ( 0.000 5.003 0.000) 5.003 5.979 ( 0.000 -2.234 0.000) 2.234 6.021 ( 0.000 -5.556 0.000) 5.556 6.103 ( 0.000 -3.024 0.000) 3.024 6.138 ( 0.000 7.119 0.000) 7.119 6.155 ( 0.000 -3.632 0.000) 3.632 6.378 ( 0.000 0.247 0.000) 0.247 6.414 ( 0.000 -2.047 0.000) 2.047 6.415 ( 0.000 -5.919 0.000) 5.919 6.507 ( 0.000 10.315 0.000) 10.315 6.664 ( 0.000 2.632 0.000) 2.632 6.679 ( 0.000 -1.180 0.000) 1.180 6.722 ( 0.000 -0.481 0.000) 0.481 6.800 ( 0.000 5.121 0.000) 5.121 6.966 ( 0.000 -2.451 0.000) 2.451 7.097 ( 0.000 2.877 0.000) 2.877 7.107 ( 0.000 4.838 0.000) 4.838 7.224 ( 0.000 -2.793 0.000) 2.793 7.432 ( 0.000 -8.360 0.000) 8.360 7.477 ( 0.000 0.312 0.000) 0.312 7.479 ( 0.000 0.219 0.000) 0.219 7.519 ( 0.000 0.167 0.000) 0.167 7.519 ( 0.000 0.156 0.000) 0.156 9.873 ( 0.000 1.269 0.000) 1.269 9.945 ( 0.000 -2.452 0.000) 2.452 10.044 ( 0.000 3.157 0.000) 3.157 10.138 ( 0.000 -0.917 0.000) 0.917 10.252 ( 0.000 0.977 0.000) 0.977 10.271 ( 0.000 2.798 0.000) 2.798 10.346 ( 0.000 -2.573 0.000) 2.573 10.398 ( 0.000 -2.980 0.000) 2.980 10.593 ( 0.000 0.882 0.000) 0.882 10.622 ( 0.000 -0.258 0.000) 0.258 10.700 ( 0.000 0.103 0.000) 0.103 10.714 ( 0.000 -0.387 0.000) 0.387 11.243 ( 0.000 0.520 0.000) 0.520 11.267 ( 0.000 -0.607 0.000) 0.607 11.317 ( 0.000 0.761 0.000) 0.761 11.347 ( 0.000 -0.652 0.000) 0.652 11.647 ( 0.000 2.844 0.000) 2.844 11.740 ( 0.000 4.065 0.000) 4.065 11.775 ( 0.000 -1.798 0.000) 1.798 12.032 ( 0.000 -9.513 0.000) 9.513 12.388 ( 0.000 1.227 0.000) 1.227 12.440 ( 0.000 -1.103 0.000) 1.103 12.583 ( 0.000 10.636 0.000) 10.636 12.876 ( 0.000 0.749 0.000) 0.749 12.908 ( 0.000 -3.662 0.000) 3.662 12.912 ( 0.000 -0.856 0.000) 0.856 12.986 ( 0.000 -0.146 0.000) 0.146 13.109 ( 0.000 -4.688 0.000) 4.688 13.287 ( 0.000 1.324 0.000) 1.324 13.305 ( 0.000 4.783 0.000) 4.783 13.345 ( 0.000 -1.286 0.000) 1.286 13.464 ( 0.000 -3.757 0.000) 3.757 13.735 ( 0.000 3.751 0.000) 3.751 13.848 ( 0.000 -1.858 0.000) 1.858 14.289 ( 0.000 0.961 0.000) 0.961 14.331 ( 0.000 -0.897 0.000) 0.897 19.684 ( 0.000 0.359 0.000) 0.359 19.700 ( 0.000 -0.381 0.000) 0.381 19.845 ( 0.000 0.340 0.000) 0.340 19.860 ( 0.000 -0.343 0.000) 0.343 20.246 ( 0.000 0.390 0.000) 0.390 20.263 ( 0.000 -0.376 0.000) 0.376 20.622 ( 0.000 2.670 0.000) 2.670 20.778 ( 0.000 -5.091 0.000) 5.091 21.029 ( 0.000 0.141 0.000) 0.141 21.034 ( 0.000 -0.080 0.000) 0.080 21.107 ( 0.000 5.404 0.000) 5.404 21.271 ( 0.000 -2.186 0.000) 2.186 21.276 ( 0.000 0.956 0.000) 0.956 21.336 ( 0.000 0.333 0.000) 0.333 21.358 ( 0.000 -4.069 0.000) 4.069 21.371 ( 0.000 -1.770 0.000) 1.770 21.466 ( 0.000 2.934 0.000) 2.934 21.556 ( 0.000 -1.665 0.000) 1.665 21.651 ( 0.000 6.652 0.000) 6.652 21.891 ( 0.000 -5.011 0.000) 5.011 22.374 ( 0.000 1.135 0.000) 1.135 22.423 ( 0.000 -1.049 0.000) 1.049 22.863 ( 0.000 2.753 0.000) 2.753 22.966 ( 0.000 -1.930 0.000) 1.930 23.549 ( 0.000 0.060 0.000) 0.060 23.552 ( 0.000 -0.076 0.000) 0.076 23.654 ( 0.000 1.016 0.000) 1.016 23.738 ( 0.000 -3.337 0.000) 3.337 24.023 ( 0.000 4.520 0.000) 4.520 24.166 ( 0.000 -2.473 0.000) 2.473 24.501 ( 0.000 2.876 0.000) 2.876 24.564 ( 0.000 0.487 0.000) 0.487 24.594 ( 0.000 -1.100 0.000) 1.100 24.628 ( 0.000 -2.750 0.000) 2.750 24.655 ( 0.000 1.252 0.000) 1.252 24.692 ( 0.000 -0.618 0.000) 0.618 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 15.714 6.430 0.000) 16.978 0.499 ( 7.079 15.479 0.000) 17.021 0.764 ( 4.237 -7.215 0.000) 8.367 0.872 ( 1.674 4.433 0.000) 4.738 1.008 ( 14.660 10.857 0.000) 18.242 1.475 ( -4.095 0.903 0.000) 4.193 1.488 ( -2.766 0.810 0.000) 2.883 1.643 ( -7.639 -6.373 0.000) 9.949 2.111 ( 4.060 -0.148 0.000) 4.063 2.210 ( -2.092 1.062 0.000) 2.346 2.239 ( 0.712 2.150 0.000) 2.265 2.291 ( -1.075 4.582 0.000) 4.706 2.294 ( -1.924 -1.776 0.000) 2.618 2.379 ( -8.417 -4.172 0.000) 9.394 2.388 ( -0.897 -3.585 0.000) 3.696 2.472 ( 4.596 5.907 0.000) 7.484 2.533 ( -0.421 -6.352 0.000) 6.366 2.548 ( 2.398 1.353 0.000) 2.753 2.740 ( -0.496 4.040 0.000) 4.071 2.789 ( -9.755 5.686 0.000) 11.292 2.802 ( -3.446 2.791 0.000) 4.435 2.843 ( -10.475 0.983 0.000) 10.521 2.912 ( -7.803 -0.402 0.000) 7.813 2.970 ( -0.765 3.733 0.000) 3.811 2.971 ( -2.760 -0.371 0.000) 2.785 3.041 ( -2.362 3.386 0.000) 4.128 3.058 ( -4.594 -1.839 0.000) 4.949 3.159 ( 1.641 -7.064 0.000) 7.252 3.169 ( -5.893 2.326 0.000) 6.336 3.184 ( 5.401 -3.370 0.000) 6.366 3.293 ( 6.571 -5.378 0.000) 8.491 3.431 ( 0.851 -3.253 0.000) 3.362 3.449 ( 0.510 4.345 0.000) 4.374 3.512 ( -3.365 3.237 0.000) 4.669 3.512 ( 1.070 1.216 0.000) 1.619 3.594 ( 0.767 -2.381 0.000) 2.501 3.675 ( 0.480 5.126 0.000) 5.149 3.697 ( 1.693 2.578 0.000) 3.084 3.710 ( -1.226 0.828 0.000) 1.479 3.763 ( -1.722 2.930 0.000) 3.398 3.793 ( -0.114 -2.172 0.000) 2.175 3.846 ( 3.878 1.176 0.000) 4.053 3.939 ( -1.223 -2.602 0.000) 2.875 3.953 ( 7.015 -0.512 0.000) 7.034 3.996 ( 5.451 -5.594 0.000) 7.811 4.103 ( -5.598 -6.794 0.000) 8.803 4.173 ( -9.721 -2.562 0.000) 10.053 4.276 ( -10.769 -4.208 0.000) 11.562 4.334 ( 12.233 5.855 0.000) 13.562 4.450 ( -1.386 2.483 0.000) 2.844 4.538 ( -1.436 -0.787 0.000) 1.637 4.555 ( -1.985 5.912 0.000) 6.237 4.596 ( 1.549 -2.517 0.000) 2.956 4.619 ( 7.293 -3.220 0.000) 7.973 4.623 ( 1.967 -3.707 0.000) 4.196 4.705 ( -3.132 2.024 0.000) 3.729 4.737 ( 3.480 1.806 0.000) 3.921 4.811 ( 0.699 1.679 0.000) 1.819 4.827 ( 4.465 -3.778 0.000) 5.850 4.891 ( 2.392 -3.251 0.000) 4.036 4.972 ( 5.360 4.001 0.000) 6.688 4.984 ( 7.746 0.754 0.000) 7.783 5.035 ( 10.530 -0.873 0.000) 10.567 5.138 ( 4.328 -1.858 0.000) 4.710 5.252 ( 9.386 1.804 0.000) 9.558 5.327 ( 3.144 -0.297 0.000) 3.158 5.400 ( -8.248 9.172 0.000) 12.335 5.517 ( -6.259 -3.335 0.000) 7.093 5.553 ( 0.814 7.600 0.000) 7.644 5.554 ( 0.048 -2.769 0.000) 2.770 5.660 ( -0.720 -6.976 0.000) 7.013 5.745 ( 2.316 5.587 0.000) 6.048 5.808 ( 0.770 8.090 0.000) 8.127 5.920 ( 1.268 5.557 0.000) 5.700 5.923 ( -6.214 -2.624 0.000) 6.745 6.007 ( 0.537 -5.245 0.000) 5.273 6.022 ( -5.750 -0.807 0.000) 5.806 6.168 ( 0.650 -0.192 0.000) 0.678 6.189 ( 1.638 -5.021 0.000) 5.281 6.317 ( -8.456 -5.764 0.000) 10.234 6.360 ( -1.768 0.690 0.000) 1.898 6.458 ( 4.061 -3.407 0.000) 5.301 6.496 ( -3.549 5.048 0.000) 6.171 6.650 ( -1.149 2.411 0.000) 2.670 6.655 ( -3.003 -3.680 0.000) 4.750 6.699 ( -1.790 -0.006 0.000) 1.790 6.837 ( 1.196 2.294 0.000) 2.587 6.898 ( -4.728 -0.225 0.000) 4.733 7.127 ( 2.532 2.884 0.000) 3.838 7.146 ( 1.956 0.892 0.000) 2.149 7.254 ( 2.589 -2.660 0.000) 3.712 7.363 ( -3.301 -2.612 0.000) 4.210 7.497 ( 1.723 0.284 0.000) 1.747 7.507 ( 2.468 0.023 0.000) 2.468 7.525 ( 1.047 0.806 0.000) 1.321 7.548 ( 2.181 -0.247 0.000) 2.195 9.848 ( -1.934 1.322 0.000) 2.343 9.924 ( -2.048 -2.466 0.000) 3.205 10.045 ( 0.299 2.940 0.000) 2.955 10.137 ( 0.137 -1.167 0.000) 1.175 10.235 ( -2.381 0.036 0.000) 2.382 10.263 ( 1.225 1.511 0.000) 1.945 10.299 ( -11.539 -1.876 0.000) 11.691 10.370 ( 2.130 -2.889 0.000) 3.589 10.390 ( -13.651 1.941 0.000) 13.789 10.498 ( -11.116 -0.776 0.000) 11.143 10.602 ( -6.014 -2.329 0.000) 6.450 10.687 ( -4.246 -5.811 0.000) 7.197 11.368 ( 8.845 6.474 0.000) 10.961 11.392 ( 11.628 1.058 0.000) 11.676 11.453 ( 12.740 -0.319 0.000) 12.744 11.627 ( -1.529 3.577 0.000) 3.890 11.673 ( 14.156 -13.045 0.000) 19.250 11.757 ( 0.779 0.658 0.000) 1.020 11.775 ( 0.428 0.959 0.000) 1.050 12.041 ( 0.698 -9.529 0.000) 9.554 12.391 ( -1.167 8.510 0.000) 8.590 12.461 ( 6.687 0.810 0.000) 6.736 12.574 ( -0.879 10.710 0.000) 10.746 12.891 ( 1.686 1.307 0.000) 2.133 12.899 ( -1.010 -4.077 0.000) 4.200 12.991 ( 0.452 0.307 0.000) 0.547 13.063 ( 8.823 -11.177 0.000) 14.240 13.119 ( 1.025 -4.711 0.000) 4.822 13.284 ( -0.101 1.335 0.000) 1.339 13.299 ( -0.575 4.879 0.000) 4.913 13.349 ( 0.534 -1.483 0.000) 1.576 13.466 ( 0.073 -4.141 0.000) 4.141 13.728 ( -0.625 4.346 0.000) 4.391 13.857 ( 0.958 -2.120 0.000) 2.327 13.927 ( -14.422 20.476 0.000) 25.045 14.316 ( -7.764 -5.749 0.000) 9.661 19.619 ( -5.677 8.048 0.000) 9.849 19.673 ( -1.018 0.395 0.000) 1.092 19.692 ( -0.822 -0.417 0.000) 0.922 19.794 ( -6.188 -2.371 0.000) 6.626 20.302 ( 4.413 1.560 0.000) 4.681 20.345 ( 6.776 -0.650 0.000) 6.807 20.612 ( -0.884 3.340 0.000) 3.455 20.810 ( 2.352 -6.865 0.000) 7.257 21.043 ( 0.485 1.501 0.000) 1.577 21.096 ( 4.287 -0.954 0.000) 4.392 21.101 ( -0.391 6.430 0.000) 6.442 21.249 ( -1.787 -0.264 0.000) 1.806 21.265 ( -1.479 -0.388 0.000) 1.530 21.353 ( 0.115 -4.232 0.000) 4.234 21.395 ( 2.079 0.576 0.000) 2.157 21.456 ( 0.109 0.532 0.000) 0.543 21.523 ( 4.907 -1.592 0.000) 5.158 21.592 ( 0.563 -2.929 0.000) 2.983 21.637 ( -1.238 6.213 0.000) 6.335 21.871 ( -1.938 -5.105 0.000) 5.461 22.435 ( 5.551 3.712 0.000) 6.677 22.830 ( -3.140 3.709 0.000) 4.860 22.850 ( 18.340 -25.053 0.000) 31.048 22.969 ( 0.283 -2.605 0.000) 2.620 23.561 ( 1.240 0.179 0.000) 1.253 23.599 ( 3.858 -3.768 0.000) 5.392 23.649 ( -0.482 0.969 0.000) 1.083 23.732 ( -0.529 -3.350 0.000) 3.392 24.038 ( 1.425 4.851 0.000) 5.056 24.192 ( 2.482 -2.540 0.000) 3.551 24.279 ( -10.201 13.926 0.000) 17.263 24.528 ( 2.491 2.620 0.000) 3.615 24.547 ( -4.659 -2.760 0.000) 5.415 24.651 ( 2.257 -2.821 0.000) 3.613 24.701 ( 0.317 1.115 0.000) 1.159 24.890 ( 5.046 -12.739 0.000) 13.703 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.880 15.327 0.000) 15.352 0.739 ( 10.347 1.235 0.000) 10.420 0.795 ( -2.868 -0.375 0.000) 2.893 0.940 ( 4.603 -7.576 0.000) 8.865 1.291 ( 6.545 12.417 0.000) 14.036 1.414 ( -0.601 1.000 0.000) 1.167 1.465 ( 1.809 -1.088 0.000) 2.111 1.580 ( 2.854 -2.520 0.000) 3.808 2.104 ( -0.363 -1.080 0.000) 1.139 2.148 ( -3.470 -0.190 0.000) 3.475 2.236 ( -2.003 0.649 0.000) 2.106 2.240 ( -1.058 -2.772 0.000) 2.967 2.286 ( -0.520 3.925 0.000) 3.959 2.350 ( -2.817 -2.921 0.000) 4.059 2.422 ( 8.113 -8.378 0.000) 11.662 2.506 ( -0.346 1.802 0.000) 1.835 2.508 ( -7.378 -2.252 0.000) 7.714 2.569 ( -7.367 1.928 0.000) 7.615 2.597 ( -0.503 -0.301 0.000) 0.587 2.652 ( 1.172 6.509 0.000) 6.613 2.708 ( -5.621 0.748 0.000) 5.670 2.774 ( 4.084 11.345 0.000) 12.058 2.815 ( -3.364 -0.397 0.000) 3.387 2.901 ( -7.722 0.509 0.000) 7.738 2.916 ( -3.758 -0.935 0.000) 3.873 2.928 ( -2.235 4.906 0.000) 5.391 2.991 ( -4.148 4.115 0.000) 5.843 3.140 ( 0.332 -2.302 0.000) 2.326 3.209 ( 4.813 -2.543 0.000) 5.443 3.299 ( -12.077 6.563 0.000) 13.745 3.316 ( 1.946 -2.703 0.000) 3.331 3.379 ( 3.591 -4.769 0.000) 5.970 3.474 ( 7.762 -9.103 0.000) 11.963 3.487 ( -3.249 6.991 0.000) 7.709 3.554 ( 3.671 5.728 0.000) 6.804 3.614 ( -4.224 4.501 0.000) 6.173 3.713 ( 7.116 1.022 0.000) 7.189 3.726 ( -1.590 -3.146 0.000) 3.525 3.736 ( 0.812 0.288 0.000) 0.861 3.737 ( -4.671 -8.303 0.000) 9.527 3.776 ( 5.604 -0.865 0.000) 5.670 3.861 ( -5.294 -1.898 0.000) 5.624 3.942 ( 4.209 -0.141 0.000) 4.211 3.971 ( -4.765 1.492 0.000) 4.993 4.015 ( -7.203 -2.271 0.000) 7.553 4.057 ( -3.628 -4.909 0.000) 6.104 4.084 ( 4.277 -5.937 0.000) 7.317 4.116 ( -1.043 -6.533 0.000) 6.616 4.449 ( 0.701 6.309 0.000) 6.348 4.457 ( -0.000 4.088 0.000) 4.088 4.504 ( 0.917 6.083 0.000) 6.152 4.513 ( -1.414 4.518 0.000) 4.734 4.617 ( -0.402 -0.213 0.000) 0.455 4.625 ( -0.800 -1.156 0.000) 1.406 4.655 ( 1.286 -2.672 0.000) 2.965 4.716 ( 1.377 -3.084 0.000) 3.377 4.816 ( 4.596 -0.568 0.000) 4.631 4.820 ( 2.110 3.147 0.000) 3.789 4.930 ( 4.526 -4.465 0.000) 6.358 4.950 ( 3.718 -3.337 0.000) 4.996 5.052 ( 1.723 4.628 0.000) 4.939 5.107 ( 0.647 6.069 0.000) 6.104 5.239 ( 4.033 -3.529 0.000) 5.359 5.254 ( 1.940 -4.819 0.000) 5.195 5.347 ( 7.338 -0.031 0.000) 7.338 5.351 ( 2.861 3.882 0.000) 4.822 5.434 ( 0.534 1.192 0.000) 1.306 5.467 ( 7.460 -1.841 0.000) 7.684 5.559 ( 0.834 -2.497 0.000) 2.633 5.639 ( 4.688 -0.473 0.000) 4.711 5.647 ( 0.187 -5.597 0.000) 5.600 5.766 ( -8.541 -6.323 0.000) 10.627 5.780 ( 1.394 7.870 0.000) 7.993 5.821 ( 0.375 5.855 0.000) 5.867 5.918 ( -2.829 1.491 0.000) 3.198 5.981 ( 3.928 7.132 0.000) 8.143 5.988 ( -2.401 -0.623 0.000) 2.480 6.132 ( -5.034 0.586 0.000) 5.068 6.202 ( -1.419 -4.143 0.000) 4.380 6.208 ( -0.089 -3.294 0.000) 3.295 6.317 ( -2.147 1.532 0.000) 2.637 6.390 ( -6.025 5.267 0.000) 8.002 6.528 ( 1.088 -6.712 0.000) 6.799 6.577 ( -4.097 -4.171 0.000) 5.847 6.644 ( 1.808 1.994 0.000) 2.692 6.689 ( 1.730 0.818 0.000) 1.913 6.802 ( -4.913 0.922 0.000) 4.999 6.832 ( -1.739 0.007 0.000) 1.739 7.171 ( 0.819 1.351 0.000) 1.580 7.174 ( 1.684 2.944 0.000) 3.392 7.308 ( 2.377 -2.676 0.000) 3.579 7.333 ( -0.159 -2.764 0.000) 2.769 7.533 ( 1.651 0.475 0.000) 1.718 7.548 ( 0.969 0.747 0.000) 1.224 7.558 ( 2.280 -0.503 0.000) 2.335 7.584 ( 1.138 -0.681 0.000) 1.327 9.827 ( 0.562 0.983 0.000) 1.132 9.885 ( -1.053 -1.686 0.000) 1.988 10.061 ( -10.730 -0.259 0.000) 10.733 10.063 ( 1.787 2.305 0.000) 2.917 10.082 ( -11.626 -0.923 0.000) 11.662 10.151 ( 1.415 -1.448 0.000) 2.025 10.227 ( -4.138 0.749 0.000) 4.205 10.291 ( -8.060 0.781 0.000) 8.098 10.301 ( 2.528 1.868 0.000) 3.143 10.424 ( 3.376 -3.574 0.000) 4.916 10.464 ( -6.634 -0.074 0.000) 6.634 10.600 ( -4.786 -6.869 0.000) 8.372 11.499 ( 4.560 6.798 0.000) 8.186 11.597 ( -1.569 4.647 0.000) 4.905 11.619 ( 9.411 1.949 0.000) 9.610 11.659 ( 7.116 -1.302 0.000) 7.235 11.756 ( -0.445 -2.644 0.000) 2.681 11.788 ( -0.037 3.562 0.000) 3.562 11.874 ( 7.742 -10.776 0.000) 13.268 12.044 ( -0.851 -9.564 0.000) 9.602 12.417 ( 3.103 10.602 0.000) 11.047 12.545 ( -2.174 10.785 0.000) 11.002 12.619 ( 8.412 -1.317 0.000) 8.514 12.860 ( -3.163 -4.604 0.000) 5.585 12.937 ( 2.729 2.674 0.000) 3.821 12.998 ( 0.076 1.517 0.000) 1.519 13.147 ( 1.659 -4.729 0.000) 5.012 13.170 ( 2.037 -7.900 0.000) 8.158 13.286 ( -0.594 4.524 0.000) 4.563 13.287 ( 0.132 0.432 0.000) 0.452 13.377 ( 2.506 -3.507 0.000) 4.310 13.462 ( -0.673 -5.102 0.000) 5.146 13.715 ( -0.514 6.142 0.000) 6.163 13.763 ( -4.221 14.414 0.000) 15.019 13.890 ( 2.614 -2.895 0.000) 3.901 14.129 ( -9.568 -5.519 0.000) 11.045 19.585 ( 0.527 3.176 0.000) 3.219 19.646 ( -1.698 0.593 0.000) 1.799 19.673 ( -0.912 -0.614 0.000) 1.099 19.697 ( -3.211 -2.069 0.000) 3.820 20.409 ( 5.998 2.555 0.000) 6.520 20.502 ( 8.880 -1.693 0.000) 9.040 20.584 ( -2.159 4.105 0.000) 4.638 20.812 ( -3.499 -7.280 0.000) 8.077 21.062 ( 1.659 1.569 0.000) 2.283 21.116 ( 2.382 4.573 0.000) 5.157 21.154 ( 1.516 -2.843 0.000) 3.222 21.199 ( -3.772 -0.969 0.000) 3.895 21.234 ( 0.052 2.251 0.000) 2.251 21.377 ( 2.176 -4.145 0.000) 4.681 21.386 ( -3.230 2.376 0.000) 4.010 21.463 ( -0.301 -1.711 0.000) 1.737 21.567 ( -0.694 1.904 0.000) 2.026 21.608 ( -1.594 5.249 0.000) 5.486 21.629 ( 5.318 -1.149 0.000) 5.441 21.817 ( -3.538 -4.890 0.000) 6.036 22.557 ( 6.077 7.405 0.000) 9.579 22.753 ( -4.348 5.860 0.000) 7.297 22.980 ( 0.917 -4.438 0.000) 4.532 23.010 ( 1.714 -13.577 0.000) 13.684 23.591 ( 1.563 0.522 0.000) 1.648 23.636 ( -0.753 0.935 0.000) 1.201 23.667 ( 2.625 -5.110 0.000) 5.745 23.720 ( -0.658 -3.523 0.000) 3.584 24.070 ( 1.646 5.971 0.000) 6.194 24.153 ( -3.692 11.136 0.000) 11.732 24.257 ( 3.982 -2.922 0.000) 4.939 24.445 ( -5.322 -3.826 0.000) 6.554 24.589 ( 3.398 2.191 0.000) 4.043 24.692 ( -1.291 2.030 0.000) 2.406 24.713 ( 3.905 -3.288 0.000) 5.104 24.886 ( -3.398 -8.168 0.000) 8.846 ======================= Grid point 10 (8/48) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -8.470 8.793 0.000) 12.209 0.646 ( 8.470 8.793 0.000) 12.209 0.906 ( -6.292 -5.075 0.000) 8.083 0.906 ( 6.292 -5.075 0.000) 8.083 1.404 ( -3.511 5.947 0.000) 6.906 1.404 ( 3.511 5.947 0.000) 6.906 1.555 ( -5.399 -2.058 0.000) 5.778 1.555 ( 5.399 -2.058 0.000) 5.778 2.131 ( -4.686 -2.472 0.000) 5.298 2.131 ( 4.686 -2.472 0.000) 5.298 2.201 ( -7.322 -2.470 0.000) 7.728 2.201 ( 7.322 -2.470 0.000) 7.728 2.290 ( -2.958 1.574 0.000) 3.351 2.290 ( 2.958 1.574 0.000) 3.351 2.432 ( -1.706 -0.108 0.000) 1.709 2.432 ( 1.706 -0.108 0.000) 1.709 2.502 ( -1.123 3.592 0.000) 3.764 2.502 ( 1.123 3.592 0.000) 3.764 2.669 ( -2.025 -0.787 0.000) 2.173 2.669 ( 2.025 -0.787 0.000) 2.173 2.765 ( -4.157 0.687 0.000) 4.213 2.765 ( 4.157 0.687 0.000) 4.213 2.808 ( -8.352 0.143 0.000) 8.353 2.808 ( 8.352 0.143 0.000) 8.353 2.894 ( -5.503 5.832 0.000) 8.019 2.894 ( 5.503 5.832 0.000) 8.019 2.972 ( -9.927 3.500 0.000) 10.526 2.972 ( 9.927 3.500 0.000) 10.526 3.239 ( -3.153 -1.003 0.000) 3.309 3.239 ( 3.153 -1.003 0.000) 3.309 3.363 ( -7.488 3.019 0.000) 8.074 3.363 ( 7.488 3.019 0.000) 8.074 3.528 ( -6.261 1.380 0.000) 6.411 3.528 ( 6.261 1.380 0.000) 6.411 3.600 ( -6.375 -6.846 0.000) 9.355 3.600 ( 6.375 -6.846 0.000) 9.355 3.647 ( -5.356 0.528 0.000) 5.382 3.647 ( 5.356 0.528 0.000) 5.382 3.775 ( -3.907 -0.643 0.000) 3.960 3.775 ( 3.907 -0.643 0.000) 3.960 3.870 ( -7.271 -0.945 0.000) 7.333 3.870 ( 7.271 -0.945 0.000) 7.333 3.909 ( -6.069 -4.821 0.000) 7.751 3.909 ( 6.069 -4.821 0.000) 7.751 3.980 ( -0.927 0.817 0.000) 1.236 3.980 ( 0.927 0.817 0.000) 1.236 4.115 ( -0.128 -8.027 0.000) 8.028 4.115 ( 0.128 -8.027 0.000) 8.028 4.456 ( -0.193 8.483 0.000) 8.485 4.456 ( 0.193 8.483 0.000) 8.485 4.508 ( -0.476 3.923 0.000) 3.952 4.508 ( 0.476 3.923 0.000) 3.952 4.610 ( -0.025 -0.913 0.000) 0.913 4.610 ( 0.025 -0.913 0.000) 0.913 4.700 ( -2.163 -2.639 0.000) 3.412 4.700 ( 2.163 -2.639 0.000) 3.412 4.886 ( -1.019 1.270 0.000) 1.628 4.886 ( 1.019 1.270 0.000) 1.628 4.979 ( -2.226 -2.222 0.000) 3.145 4.979 ( 2.226 -2.222 0.000) 3.145 5.061 ( -0.196 2.532 0.000) 2.540 5.061 ( 0.196 2.532 0.000) 2.540 5.260 ( -0.067 -5.444 0.000) 5.444 5.260 ( 0.067 -5.444 0.000) 5.444 5.400 ( -0.558 1.505 0.000) 1.605 5.400 ( 0.558 1.505 0.000) 1.605 5.520 ( -2.319 0.652 0.000) 2.408 5.520 ( 2.319 0.652 0.000) 2.408 5.608 ( -4.843 -6.130 0.000) 7.812 5.608 ( 4.843 -6.130 0.000) 7.812 5.691 ( -2.169 -4.433 0.000) 4.935 5.691 ( 2.169 -4.433 0.000) 4.935 5.807 ( -1.334 5.754 0.000) 5.907 5.807 ( 1.334 5.754 0.000) 5.907 5.926 ( -3.033 3.013 0.000) 4.275 5.926 ( 3.033 3.013 0.000) 4.275 6.066 ( -3.097 6.842 0.000) 7.511 6.066 ( 3.097 6.842 0.000) 7.511 6.181 ( -0.632 -1.996 0.000) 2.094 6.181 ( 0.632 -1.996 0.000) 2.094 6.309 ( -1.669 2.510 0.000) 3.014 6.309 ( 1.669 2.510 0.000) 3.014 6.525 ( -0.670 -5.222 0.000) 5.264 6.525 ( 0.670 -5.222 0.000) 5.264 6.709 ( -4.190 0.993 0.000) 4.306 6.709 ( 4.190 0.993 0.000) 4.306 6.766 ( -4.651 -0.867 0.000) 4.731 6.766 ( 4.651 -0.867 0.000) 4.731 7.185 ( -0.406 2.690 0.000) 2.720 7.185 ( 0.406 2.690 0.000) 2.720 7.334 ( -0.307 -3.051 0.000) 3.067 7.334 ( 0.307 -3.051 0.000) 3.067 7.554 ( -0.393 0.650 0.000) 0.760 7.554 ( 0.393 0.650 0.000) 0.760 7.588 ( -0.720 -0.740 0.000) 1.032 7.588 ( 0.720 -0.740 0.000) 1.032 9.893 ( -6.346 0.198 0.000) 6.349 9.893 ( 6.346 0.198 0.000) 6.349 9.913 ( -4.494 -0.561 0.000) 4.529 9.913 ( 4.494 -0.561 0.000) 4.529 10.125 ( -4.668 1.445 0.000) 4.886 10.125 ( 4.668 1.445 0.000) 4.886 10.196 ( -3.092 -1.095 0.000) 3.281 10.196 ( 3.092 -1.095 0.000) 3.281 10.362 ( -3.836 1.564 0.000) 4.143 10.362 ( 3.836 1.564 0.000) 4.143 10.504 ( -4.633 -4.947 0.000) 6.778 10.504 ( 4.633 -4.947 0.000) 6.778 11.562 ( -2.171 5.841 0.000) 6.232 11.562 ( 2.171 5.841 0.000) 6.232 11.736 ( -2.199 -2.138 0.000) 3.067 11.736 ( 2.199 -2.138 0.000) 3.067 11.754 ( -3.584 2.652 0.000) 4.459 11.754 ( 3.584 2.652 0.000) 4.459 11.995 ( -4.287 -9.700 0.000) 10.605 11.995 ( 4.287 -9.700 0.000) 10.605 12.488 ( -3.534 10.712 0.000) 11.280 12.488 ( 3.534 10.712 0.000) 11.280 12.768 ( -6.237 -3.794 0.000) 7.300 12.768 ( 6.237 -3.794 0.000) 7.300 12.984 ( -1.651 2.855 0.000) 3.298 12.984 ( 1.651 2.855 0.000) 3.298 13.175 ( -0.896 -4.661 0.000) 4.746 13.175 ( 0.896 -4.661 0.000) 4.746 13.283 ( -0.289 2.231 0.000) 2.250 13.283 ( 0.289 2.231 0.000) 2.250 13.432 ( -2.401 -5.572 0.000) 6.067 13.432 ( 2.401 -5.572 0.000) 6.067 13.717 ( -0.935 9.198 0.000) 9.246 13.717 ( 0.935 9.198 0.000) 9.246 13.972 ( -5.959 -4.169 0.000) 7.273 13.972 ( 5.959 -4.169 0.000) 7.273 19.611 ( -1.726 1.267 0.000) 2.141 19.611 ( 1.726 1.267 0.000) 2.141 19.664 ( -0.334 -1.165 0.000) 1.212 19.664 ( 0.334 -1.165 0.000) 1.212 20.518 ( -4.617 3.682 0.000) 5.905 20.518 ( 4.617 3.682 0.000) 5.905 20.681 ( -8.667 -3.625 0.000) 9.394 20.681 ( 8.667 -3.625 0.000) 9.394 21.113 ( -3.323 0.588 0.000) 3.375 21.113 ( 3.323 0.588 0.000) 3.375 21.164 ( -0.368 -2.424 0.000) 2.451 21.164 ( 0.368 -2.424 0.000) 2.451 21.292 ( -5.263 3.995 0.000) 6.608 21.292 ( 5.263 3.995 0.000) 6.608 21.428 ( -2.639 -3.545 0.000) 4.419 21.428 ( 2.639 -3.545 0.000) 4.419 21.577 ( -1.365 4.317 0.000) 4.528 21.577 ( 1.365 4.317 0.000) 4.528 21.733 ( -4.855 -3.488 0.000) 5.978 21.733 ( 4.855 -3.488 0.000) 5.978 22.663 ( -4.762 7.743 0.000) 9.090 22.663 ( 4.762 7.743 0.000) 9.090 23.004 ( -1.289 -7.497 0.000) 7.607 23.004 ( 1.289 -7.497 0.000) 7.607 23.618 ( -1.139 0.830 0.000) 1.410 23.618 ( 1.139 0.830 0.000) 1.410 23.703 ( -1.209 -4.120 0.000) 4.293 23.703 ( 1.209 -4.120 0.000) 4.293 24.103 ( -1.793 8.021 0.000) 8.219 24.103 ( 1.793 8.021 0.000) 8.219 24.344 ( -4.758 -3.539 0.000) 5.930 24.344 ( 4.758 -3.539 0.000) 5.930 24.652 ( -2.727 2.043 0.000) 3.407 24.652 ( 2.727 2.043 0.000) 3.407 24.800 ( -4.739 -4.827 0.000) 6.764 24.800 ( 4.739 -4.827 0.000) 6.764 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 0.000 -13.750 0.000) 13.750 0.493 ( 0.000 13.750 0.000) 13.750 0.726 ( 0.000 -19.371 0.000) 19.371 0.726 ( 0.000 19.371 0.000) 19.371 1.317 ( 0.000 -29.069 0.000) 29.069 1.317 ( 0.000 29.069 0.000) 29.069 1.536 ( 0.000 -0.118 0.000) 0.118 1.536 ( 0.000 0.118 0.000) 0.118 2.227 ( 0.000 -3.894 0.000) 3.894 2.227 ( 0.000 3.894 0.000) 3.894 2.296 ( 0.000 -5.121 0.000) 5.121 2.296 ( 0.000 5.121 0.000) 5.121 2.363 ( 0.000 -7.272 0.000) 7.272 2.363 ( 0.000 7.272 0.000) 7.272 2.423 ( 0.000 -6.860 0.000) 6.860 2.423 ( 0.000 6.860 0.000) 6.860 2.535 ( 0.000 -2.477 0.000) 2.477 2.535 ( 0.000 2.477 0.000) 2.477 2.844 ( 0.000 -6.642 0.000) 6.642 2.844 ( 0.000 6.642 0.000) 6.642 2.895 ( 0.000 -3.485 0.000) 3.485 2.895 ( 0.000 3.485 0.000) 3.485 2.966 ( 0.000 -5.955 0.000) 5.955 2.966 ( 0.000 5.955 0.000) 5.955 3.020 ( 0.000 -2.105 0.000) 2.105 3.020 ( 0.000 2.105 0.000) 2.105 3.119 ( 0.000 -2.731 0.000) 2.731 3.119 ( 0.000 2.731 0.000) 2.731 3.210 ( 0.000 -5.337 0.000) 5.337 3.210 ( 0.000 5.337 0.000) 5.337 3.296 ( 0.000 -7.679 0.000) 7.679 3.296 ( 0.000 7.679 0.000) 7.679 3.544 ( 0.000 -3.264 0.000) 3.264 3.544 ( 0.000 3.264 0.000) 3.264 3.578 ( 0.000 -4.086 0.000) 4.086 3.578 ( 0.000 4.086 0.000) 4.086 3.686 ( 0.000 -2.347 0.000) 2.347 3.686 ( 0.000 2.347 0.000) 2.347 3.740 ( 0.000 -9.851 0.000) 9.851 3.740 ( 0.000 9.851 0.000) 9.851 3.833 ( 0.000 -4.527 0.000) 4.527 3.833 ( 0.000 4.527 0.000) 4.527 3.926 ( 0.000 -0.602 0.000) 0.602 3.926 ( 0.000 0.602 0.000) 0.602 3.952 ( 0.000 -7.851 0.000) 7.851 3.952 ( 0.000 7.851 0.000) 7.851 4.201 ( 0.000 -1.342 0.000) 1.342 4.201 ( 0.000 1.342 0.000) 1.342 4.317 ( 0.000 -0.663 0.000) 0.663 4.317 ( 0.000 0.663 0.000) 0.663 4.536 ( 0.000 -2.287 0.000) 2.287 4.536 ( 0.000 2.287 0.000) 2.287 4.602 ( 0.000 -1.357 0.000) 1.357 4.602 ( 0.000 1.357 0.000) 1.357 4.655 ( 0.000 -2.046 0.000) 2.046 4.655 ( 0.000 2.046 0.000) 2.046 4.799 ( 0.000 -6.529 0.000) 6.529 4.799 ( 0.000 6.529 0.000) 6.529 4.828 ( 0.000 -1.954 0.000) 1.954 4.828 ( 0.000 1.954 0.000) 1.954 4.924 ( 0.000 -1.313 0.000) 1.313 4.924 ( 0.000 1.313 0.000) 1.313 4.992 ( 0.000 -5.943 0.000) 5.943 4.992 ( 0.000 5.943 0.000) 5.943 5.226 ( 0.000 -4.624 0.000) 4.624 5.226 ( 0.000 4.624 0.000) 4.624 5.497 ( 0.000 -1.616 0.000) 1.616 5.497 ( 0.000 1.616 0.000) 1.616 5.560 ( 0.000 -3.604 0.000) 3.604 5.560 ( 0.000 3.604 0.000) 3.604 5.756 ( 0.000 -1.628 0.000) 1.628 5.756 ( 0.000 1.628 0.000) 1.628 5.931 ( 0.000 -4.990 0.000) 4.990 5.931 ( 0.000 4.990 0.000) 4.990 5.959 ( 0.000 -0.876 0.000) 0.876 5.959 ( 0.000 0.876 0.000) 0.876 6.084 ( 0.000 -2.935 0.000) 2.935 6.084 ( 0.000 2.935 0.000) 2.935 6.282 ( 0.000 -8.490 0.000) 8.490 6.282 ( 0.000 8.490 0.000) 8.490 6.387 ( 0.000 -0.920 0.000) 0.920 6.387 ( 0.000 0.920 0.000) 0.920 6.636 ( 0.000 -4.227 0.000) 4.227 6.636 ( 0.000 4.227 0.000) 4.227 6.704 ( 0.000 -1.644 0.000) 1.644 6.704 ( 0.000 1.644 0.000) 1.644 6.901 ( 0.000 -5.096 0.000) 5.096 6.901 ( 0.000 5.096 0.000) 5.096 7.161 ( 0.000 -4.004 0.000) 4.004 7.161 ( 0.000 4.004 0.000) 4.004 7.250 ( 0.000 -10.768 0.000) 10.768 7.250 ( 0.000 10.768 0.000) 10.768 7.481 ( 0.000 -0.058 0.000) 0.058 7.481 ( 0.000 0.058 0.000) 0.058 7.521 ( 0.000 -0.028 0.000) 0.028 7.521 ( 0.000 0.028 0.000) 0.028 9.904 ( 0.000 -2.119 0.000) 2.119 9.904 ( 0.000 2.119 0.000) 2.119 10.100 ( 0.000 -3.029 0.000) 3.029 10.100 ( 0.000 3.029 0.000) 3.029 10.292 ( 0.000 -3.184 0.000) 3.184 10.292 ( 0.000 3.184 0.000) 3.184 10.334 ( 0.000 -3.985 0.000) 3.985 10.334 ( 0.000 3.985 0.000) 3.985 10.611 ( 0.000 -1.000 0.000) 1.000 10.611 ( 0.000 1.000 0.000) 1.000 10.705 ( 0.000 -0.466 0.000) 0.466 10.705 ( 0.000 0.466 0.000) 0.466 11.254 ( 0.000 -0.743 0.000) 0.743 11.254 ( 0.000 0.743 0.000) 0.743 11.333 ( 0.000 -0.947 0.000) 0.947 11.333 ( 0.000 0.947 0.000) 0.947 11.709 ( 0.000 -3.805 0.000) 3.805 11.709 ( 0.000 3.805 0.000) 3.805 11.867 ( 0.000 -8.491 0.000) 8.491 11.867 ( 0.000 8.491 0.000) 8.491 12.415 ( 0.000 -1.641 0.000) 1.641 12.415 ( 0.000 1.641 0.000) 1.641 12.773 ( 0.000 -10.126 0.000) 10.126 12.773 ( 0.000 10.126 0.000) 10.126 12.893 ( 0.000 -1.119 0.000) 1.119 12.893 ( 0.000 1.119 0.000) 1.119 13.030 ( 0.000 -4.007 0.000) 4.007 13.030 ( 0.000 4.007 0.000) 4.007 13.316 ( 0.000 -1.830 0.000) 1.830 13.316 ( 0.000 1.830 0.000) 1.830 13.389 ( 0.000 -4.615 0.000) 4.615 13.389 ( 0.000 4.615 0.000) 4.615 13.801 ( 0.000 -3.412 0.000) 3.412 13.801 ( 0.000 3.412 0.000) 3.412 14.310 ( 0.000 -1.311 0.000) 1.311 14.310 ( 0.000 1.311 0.000) 1.311 19.692 ( 0.000 -0.523 0.000) 0.523 19.692 ( 0.000 0.523 0.000) 0.523 19.853 ( 0.000 -0.483 0.000) 0.483 19.853 ( 0.000 0.483 0.000) 0.483 20.255 ( 0.000 -0.542 0.000) 0.542 20.255 ( 0.000 0.542 0.000) 0.542 20.688 ( 0.000 -4.688 0.000) 4.688 20.688 ( 0.000 4.688 0.000) 4.688 21.032 ( 0.000 -0.159 0.000) 0.159 21.032 ( 0.000 0.159 0.000) 0.159 21.204 ( 0.000 -5.121 0.000) 5.121 21.204 ( 0.000 5.121 0.000) 5.121 21.302 ( 0.000 -2.139 0.000) 2.139 21.302 ( 0.000 2.139 0.000) 2.139 21.347 ( 0.000 -0.952 0.000) 0.952 21.347 ( 0.000 0.952 0.000) 0.952 21.517 ( 0.000 -2.713 0.000) 2.713 21.517 ( 0.000 2.713 0.000) 2.713 21.778 ( 0.000 -7.287 0.000) 7.287 21.778 ( 0.000 7.287 0.000) 7.287 22.399 ( 0.000 -1.538 0.000) 1.538 22.399 ( 0.000 1.538 0.000) 1.538 22.919 ( 0.000 -3.221 0.000) 3.221 22.919 ( 0.000 3.221 0.000) 3.221 23.550 ( 0.000 -0.095 0.000) 0.095 23.550 ( 0.000 0.095 0.000) 0.095 23.684 ( 0.000 -2.466 0.000) 2.466 23.684 ( 0.000 2.466 0.000) 2.466 24.104 ( 0.000 -4.339 0.000) 4.339 24.104 ( 0.000 4.339 0.000) 4.339 24.565 ( 0.000 -3.975 0.000) 3.975 24.565 ( 0.000 3.975 0.000) 3.975 24.576 ( 0.000 -0.903 0.000) 0.903 24.576 ( 0.000 0.903 0.000) 0.903 24.676 ( 0.000 -1.103 0.000) 1.103 24.676 ( 0.000 1.103 0.000) 1.103 ======================= Grid point 16 (10/48) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 9.622 -9.263 0.000) 13.356 0.611 ( 9.622 9.263 0.000) 13.356 0.736 ( 2.185 -11.940 0.000) 12.138 0.736 ( 2.185 11.940 0.000) 12.138 1.390 ( 5.668 -21.389 0.000) 22.127 1.390 ( 5.668 21.389 0.000) 22.127 1.491 ( -3.932 -0.548 0.000) 3.970 1.491 ( -3.932 0.548 0.000) 3.970 2.180 ( -1.568 -5.400 0.000) 5.623 2.180 ( -1.568 5.400 0.000) 5.623 2.289 ( -7.260 -2.047 0.000) 7.543 2.289 ( -7.260 2.047 0.000) 7.543 2.297 ( 0.066 -4.078 0.000) 4.078 2.297 ( 0.066 4.078 0.000) 4.078 2.413 ( -0.728 -6.687 0.000) 6.727 2.413 ( -0.728 6.687 0.000) 6.727 2.554 ( 0.023 -2.210 0.000) 2.210 2.554 ( 0.023 2.210 0.000) 2.210 2.842 ( -6.331 -1.429 0.000) 6.490 2.842 ( -6.331 1.429 0.000) 6.490 2.847 ( -1.386 -3.400 0.000) 3.671 2.847 ( -1.386 3.400 0.000) 3.671 2.928 ( -1.226 -7.014 0.000) 7.120 2.928 ( -1.226 7.014 0.000) 7.120 2.993 ( -3.124 -2.881 0.000) 4.249 2.993 ( -3.124 2.881 0.000) 4.249 3.129 ( 4.707 -2.795 0.000) 5.475 3.129 ( 4.707 2.795 0.000) 5.475 3.138 ( -4.652 -4.702 0.000) 6.614 3.138 ( -4.652 4.702 0.000) 6.614 3.299 ( -0.642 -7.835 0.000) 7.861 3.299 ( -0.642 7.835 0.000) 7.861 3.545 ( 1.125 -2.719 0.000) 2.942 3.545 ( 1.125 2.719 0.000) 2.942 3.550 ( -0.157 -3.513 0.000) 3.516 3.550 ( -0.157 3.513 0.000) 3.516 3.738 ( -0.818 -5.985 0.000) 6.040 3.738 ( -0.818 5.985 0.000) 6.040 3.744 ( 2.843 -3.882 0.000) 4.812 3.744 ( 2.843 3.882 0.000) 4.812 3.803 ( -3.499 -7.979 0.000) 8.712 3.803 ( -3.499 7.979 0.000) 8.712 3.919 ( 2.373 -3.838 0.000) 4.512 3.919 ( 2.373 3.838 0.000) 4.512 3.976 ( 1.917 -3.648 0.000) 4.121 3.976 ( 1.917 3.648 0.000) 4.121 4.199 ( -9.774 -3.676 0.000) 10.443 4.199 ( -9.774 3.676 0.000) 10.443 4.446 ( 11.107 -6.865 0.000) 13.057 4.446 ( 11.107 6.865 0.000) 13.057 4.511 ( 0.035 -4.076 0.000) 4.076 4.511 ( 0.035 4.076 0.000) 4.076 4.602 ( 1.690 -1.041 0.000) 1.985 4.602 ( 1.690 1.041 0.000) 1.985 4.695 ( -2.144 -5.438 0.000) 5.845 4.695 ( -2.144 5.438 0.000) 5.845 4.761 ( 1.294 -2.524 0.000) 2.836 4.761 ( 1.294 2.524 0.000) 2.836 4.845 ( 1.512 -2.056 0.000) 2.552 4.845 ( 1.512 2.056 0.000) 2.552 5.008 ( 9.045 -1.897 0.000) 9.242 5.008 ( 9.045 1.897 0.000) 9.242 5.063 ( 5.829 -5.664 0.000) 8.128 5.063 ( 5.829 5.664 0.000) 8.128 5.302 ( 6.123 -2.816 0.000) 6.740 5.302 ( 6.123 2.816 0.000) 6.740 5.457 ( -2.707 -2.033 0.000) 3.385 5.457 ( -2.707 2.033 0.000) 3.385 5.559 ( -0.082 -3.543 0.000) 3.544 5.559 ( -0.082 3.543 0.000) 3.544 5.755 ( -3.608 -7.929 0.000) 8.711 5.755 ( -3.608 7.929 0.000) 8.711 5.912 ( -1.831 -4.180 0.000) 4.563 5.912 ( -1.831 4.180 0.000) 4.563 5.930 ( -0.651 -4.854 0.000) 4.897 5.930 ( -0.651 4.854 0.000) 4.897 6.077 ( 0.181 -6.778 0.000) 6.781 6.077 ( 0.181 6.778 0.000) 6.781 6.206 ( -4.574 -5.047 0.000) 6.812 6.206 ( -4.574 5.047 0.000) 6.812 6.395 ( 0.583 -3.120 0.000) 3.174 6.395 ( 0.583 3.120 0.000) 3.174 6.590 ( -4.260 -4.372 0.000) 6.105 6.590 ( -4.260 4.372 0.000) 6.105 6.687 ( -1.281 -1.478 0.000) 1.956 6.687 ( -1.281 1.478 0.000) 1.956 6.879 ( -2.064 -1.950 0.000) 2.840 6.879 ( -2.064 1.950 0.000) 2.840 7.191 ( 2.616 -4.026 0.000) 4.802 7.191 ( 2.616 4.026 0.000) 4.802 7.245 ( -0.338 -8.445 0.000) 8.452 7.245 ( -0.338 8.445 0.000) 8.452 7.504 ( 1.997 -0.373 0.000) 2.032 7.504 ( 1.997 0.373 0.000) 2.032 7.540 ( 1.520 -0.726 0.000) 1.684 7.540 ( 1.520 0.726 0.000) 1.684 9.880 ( -1.963 -2.266 0.000) 2.998 9.880 ( -1.963 2.266 0.000) 2.998 10.099 ( 0.055 -2.927 0.000) 2.927 10.099 ( 0.055 2.927 0.000) 2.927 10.259 ( -7.463 -2.300 0.000) 7.809 10.259 ( -7.463 2.300 0.000) 7.809 10.310 ( 1.688 -3.492 0.000) 3.879 10.310 ( 1.688 3.492 0.000) 3.879 10.439 ( -11.045 -3.719 0.000) 11.654 10.439 ( -11.045 3.719 0.000) 11.654 10.620 ( -6.976 -2.888 0.000) 7.550 10.620 ( -6.976 2.888 0.000) 7.550 11.413 ( 12.183 -0.941 0.000) 12.219 11.413 ( 12.183 0.941 0.000) 12.219 11.508 ( 11.633 -6.773 0.000) 13.461 11.508 ( 11.633 6.773 0.000) 13.461 11.701 ( -0.681 -4.250 0.000) 4.304 11.701 ( -0.681 4.250 0.000) 4.304 11.879 ( 0.937 -8.153 0.000) 8.207 11.879 ( 0.937 8.153 0.000) 8.207 12.463 ( 4.315 -1.133 0.000) 4.462 12.463 ( 4.315 1.133 0.000) 4.462 12.764 ( -0.970 -10.018 0.000) 10.065 12.764 ( -0.970 10.018 0.000) 10.065 12.938 ( 4.087 -4.292 0.000) 5.926 12.938 ( 4.087 4.292 0.000) 5.926 13.038 ( 0.810 -4.145 0.000) 4.223 13.038 ( 0.810 4.145 0.000) 4.223 13.317 ( 0.111 -2.063 0.000) 2.066 13.317 ( 0.111 2.063 0.000) 2.066 13.386 ( -0.389 -4.811 0.000) 4.827 13.386 ( -0.389 4.811 0.000) 4.827 13.803 ( 0.312 -3.869 0.000) 3.881 13.803 ( 0.312 3.869 0.000) 3.881 14.180 ( -10.431 -9.957 0.000) 14.420 14.180 ( -10.431 9.957 0.000) 14.420 19.682 ( -0.921 -0.574 0.000) 1.085 19.682 ( -0.921 0.574 0.000) 1.085 19.732 ( -7.025 -4.744 0.000) 8.477 19.732 ( -7.025 4.744 0.000) 8.477 20.328 ( 5.749 -1.268 0.000) 5.887 20.328 ( 5.749 1.268 0.000) 5.887 20.695 ( 0.389 -5.852 0.000) 5.865 20.695 ( 0.389 5.852 0.000) 5.865 21.072 ( 2.027 -1.600 0.000) 2.583 21.072 ( 2.027 1.600 0.000) 2.583 21.203 ( -0.414 -4.614 0.000) 4.632 21.203 ( -0.414 4.614 0.000) 4.632 21.288 ( -0.872 -2.607 0.000) 2.749 21.288 ( -0.872 2.607 0.000) 2.749 21.424 ( 3.520 -2.628 0.000) 4.393 21.424 ( 3.520 2.628 0.000) 4.393 21.541 ( 2.701 -2.672 0.000) 3.799 21.541 ( 2.701 2.672 0.000) 3.799 21.759 ( -1.816 -7.116 0.000) 7.344 21.759 ( -1.816 7.116 0.000) 7.344 22.550 ( 12.074 -10.253 0.000) 15.840 22.550 ( 12.074 10.253 0.000) 15.840 22.905 ( -1.303 -4.341 0.000) 4.532 22.905 ( -1.303 4.341 0.000) 4.532 23.569 ( 1.751 -0.712 0.000) 1.890 23.569 ( 1.751 0.712 0.000) 1.890 23.678 ( -0.534 -2.430 0.000) 2.487 23.678 ( -0.534 2.430 0.000) 2.487 24.127 ( 2.091 -4.656 0.000) 5.104 24.127 ( 2.091 4.656 0.000) 5.104 24.459 ( -7.313 -7.342 0.000) 10.363 24.459 ( -7.313 7.342 0.000) 10.363 24.588 ( 2.201 -3.880 0.000) 4.461 24.588 ( 2.201 3.880 0.000) 4.461 24.745 ( 2.740 -4.434 0.000) 5.212 24.745 ( 2.740 4.434 0.000) 5.212 ======================= Grid point 18 (11/48) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 4.626 -2.054 0.000) 5.061 0.771 ( 4.626 2.054 0.000) 5.061 0.786 ( 1.445 -10.750 0.000) 10.846 0.786 ( 1.445 10.750 0.000) 10.846 1.439 ( 0.421 -1.650 0.000) 1.702 1.439 ( 0.421 1.650 0.000) 1.702 1.487 ( 3.814 -8.613 0.000) 9.420 1.487 ( 3.814 8.613 0.000) 9.420 2.115 ( -5.388 -2.219 0.000) 5.827 2.115 ( -5.388 2.219 0.000) 5.827 2.275 ( -3.540 -3.508 0.000) 4.984 2.275 ( -3.540 3.508 0.000) 4.984 2.277 ( 7.229 -6.453 0.000) 9.691 2.277 ( 7.229 6.453 0.000) 9.691 2.397 ( -1.619 -6.776 0.000) 6.966 2.397 ( -1.619 6.776 0.000) 6.966 2.553 ( 1.562 -3.250 0.000) 3.606 2.553 ( 1.562 3.250 0.000) 3.606 2.671 ( -7.669 -5.159 0.000) 9.243 2.671 ( -7.669 5.159 0.000) 9.243 2.769 ( -3.296 -5.012 0.000) 5.999 2.769 ( -3.296 5.012 0.000) 5.999 2.901 ( -5.249 -0.352 0.000) 5.261 2.901 ( -5.249 0.352 0.000) 5.261 2.960 ( 0.663 -5.690 0.000) 5.729 2.960 ( 0.663 5.690 0.000) 5.729 3.072 ( -3.395 -4.796 0.000) 5.876 3.072 ( -3.395 4.796 0.000) 5.876 3.245 ( 3.542 -7.599 0.000) 8.384 3.245 ( 3.542 7.599 0.000) 8.384 3.320 ( 7.510 -4.313 0.000) 8.660 3.320 ( 7.510 4.313 0.000) 8.660 3.492 ( -6.630 -11.804 0.000) 13.539 3.492 ( -6.630 11.804 0.000) 13.539 3.644 ( 6.294 -4.873 0.000) 7.960 3.644 ( 6.294 4.873 0.000) 7.960 3.662 ( -7.461 -4.100 0.000) 8.514 3.662 ( -7.461 4.100 0.000) 8.514 3.730 ( -1.806 -9.692 0.000) 9.858 3.730 ( -1.806 9.692 0.000) 9.858 3.781 ( 1.620 -1.723 0.000) 2.366 3.781 ( 1.620 1.723 0.000) 2.366 3.978 ( 2.624 -5.021 0.000) 5.665 3.978 ( 2.624 5.021 0.000) 5.665 3.988 ( -3.132 -0.237 0.000) 3.141 3.988 ( -3.132 0.237 0.000) 3.141 4.039 ( -3.740 -2.743 0.000) 4.638 4.039 ( -3.740 2.743 0.000) 4.638 4.526 ( 1.378 -2.973 0.000) 3.277 4.526 ( 1.378 2.973 0.000) 3.277 4.539 ( 2.033 -3.876 0.000) 4.377 4.539 ( 2.033 3.876 0.000) 4.377 4.619 ( -2.548 -2.239 0.000) 3.392 4.619 ( -2.548 2.239 0.000) 3.392 4.657 ( 1.032 -3.839 0.000) 3.975 4.657 ( 1.032 3.839 0.000) 3.975 4.844 ( 5.259 -4.108 0.000) 6.674 4.844 ( 5.259 4.108 0.000) 6.674 4.884 ( 2.882 -3.896 0.000) 4.846 4.884 ( 2.882 3.896 0.000) 4.846 5.147 ( 1.355 -5.908 0.000) 6.061 5.147 ( 1.355 5.908 0.000) 6.061 5.177 ( 2.915 -3.140 0.000) 4.284 5.177 ( 2.915 3.140 0.000) 4.284 5.423 ( 0.422 -4.761 0.000) 4.780 5.423 ( 0.422 4.761 0.000) 4.780 5.428 ( 5.873 -3.972 0.000) 7.090 5.428 ( 5.873 3.972 0.000) 7.090 5.557 ( 0.077 -3.437 0.000) 3.438 5.557 ( 0.077 3.437 0.000) 3.438 5.647 ( -3.567 -3.698 0.000) 5.138 5.647 ( -3.567 3.698 0.000) 5.138 5.907 ( -0.670 -3.099 0.000) 3.171 5.907 ( -0.670 3.099 0.000) 3.171 5.923 ( 0.934 -6.860 0.000) 6.923 5.923 ( 0.934 6.860 0.000) 6.923 6.112 ( 2.793 -7.006 0.000) 7.542 6.112 ( 2.793 7.006 0.000) 7.542 6.151 ( -1.085 -1.776 0.000) 2.081 6.151 ( -1.085 1.776 0.000) 2.081 6.397 ( -0.538 -7.030 0.000) 7.051 6.397 ( -0.538 7.030 0.000) 7.051 6.486 ( -5.673 -5.563 0.000) 7.945 6.486 ( -5.673 5.563 0.000) 7.945 6.680 ( 1.226 -1.596 0.000) 2.013 6.680 ( 1.226 1.596 0.000) 2.013 6.821 ( -3.745 -1.049 0.000) 3.889 6.821 ( -3.745 1.049 0.000) 3.889 7.242 ( 1.970 -4.333 0.000) 4.760 7.242 ( 1.970 4.333 0.000) 4.760 7.246 ( 0.517 -6.063 0.000) 6.085 7.246 ( 0.517 6.063 0.000) 6.085 7.546 ( 1.911 -0.819 0.000) 2.079 7.546 ( 1.911 0.819 0.000) 2.079 7.567 ( 0.964 -1.200 0.000) 1.540 7.567 ( 0.964 1.200 0.000) 1.540 9.852 ( -0.136 -1.785 0.000) 1.790 9.852 ( -0.136 1.785 0.000) 1.790 10.064 ( -10.493 -0.729 0.000) 10.518 10.064 ( -10.493 0.729 0.000) 10.518 10.111 ( 1.393 -2.813 0.000) 3.139 10.111 ( 1.393 2.813 0.000) 3.139 10.265 ( -6.701 -2.866 0.000) 7.288 10.265 ( -6.701 2.866 0.000) 7.288 10.354 ( 2.713 -3.917 0.000) 4.765 10.354 ( 2.713 3.917 0.000) 4.765 10.499 ( -5.005 -4.123 0.000) 6.484 10.499 ( -5.005 4.123 0.000) 6.484 11.602 ( 5.850 -3.961 0.000) 7.065 11.602 ( 5.850 3.961 0.000) 7.065 11.687 ( -0.695 -4.936 0.000) 4.985 11.687 ( -0.695 4.936 0.000) 4.985 11.710 ( 8.789 -7.275 0.000) 11.409 11.710 ( 8.789 7.275 0.000) 11.409 11.887 ( -0.587 -7.579 0.000) 7.601 11.887 ( -0.587 7.579 0.000) 7.601 12.562 ( 5.250 -5.580 0.000) 7.662 12.562 ( 5.250 5.580 0.000) 7.662 12.730 ( -2.588 -9.508 0.000) 9.854 12.730 ( -2.588 9.508 0.000) 9.854 13.025 ( 3.817 -7.161 0.000) 8.115 13.025 ( 3.817 7.161 0.000) 8.115 13.059 ( 1.066 -4.787 0.000) 4.904 13.059 ( 1.066 4.787 0.000) 4.904 13.324 ( 0.716 -2.831 0.000) 2.920 13.324 ( 0.716 2.831 0.000) 2.920 13.372 ( -1.034 -5.063 0.000) 5.168 13.372 ( -1.034 5.063 0.000) 5.168 13.818 ( 1.331 -5.206 0.000) 5.373 13.818 ( 1.331 5.206 0.000) 5.373 13.986 ( -8.167 -10.552 0.000) 13.343 13.986 ( -8.167 10.552 0.000) 13.343 19.647 ( -1.910 -3.427 0.000) 3.924 19.647 ( -1.910 3.427 0.000) 3.924 19.659 ( -1.299 -0.848 0.000) 1.552 19.659 ( -1.299 0.848 0.000) 1.552 20.461 ( 7.374 -2.901 0.000) 7.924 20.461 ( 7.374 2.901 0.000) 7.924 20.684 ( -2.124 -6.824 0.000) 7.147 20.684 ( -2.124 6.824 0.000) 7.147 21.101 ( 1.239 -2.777 0.000) 3.041 21.101 ( 1.239 2.777 0.000) 3.041 21.174 ( -2.339 -2.063 0.000) 3.119 21.174 ( -2.339 2.063 0.000) 3.119 21.298 ( 2.150 -4.536 0.000) 5.019 21.298 ( 2.150 4.536 0.000) 5.019 21.428 ( -2.244 -2.224 0.000) 3.159 21.428 ( -2.244 2.224 0.000) 3.159 21.602 ( 2.932 -1.885 0.000) 3.486 21.602 ( 2.932 1.885 0.000) 3.486 21.713 ( -2.650 -6.322 0.000) 6.856 21.713 ( -2.650 6.322 0.000) 6.856 22.749 ( 6.893 -13.946 0.000) 15.556 22.749 ( 6.893 13.946 0.000) 15.556 22.874 ( -1.741 -7.108 0.000) 7.318 22.874 ( -1.741 7.108 0.000) 7.318 23.610 ( 2.126 -1.795 0.000) 2.783 23.610 ( 2.126 1.795 0.000) 2.783 23.665 ( -0.781 -2.417 0.000) 2.540 23.665 ( -0.781 2.417 0.000) 2.540 24.179 ( 3.071 -5.731 0.000) 6.502 24.179 ( 3.071 5.731 0.000) 6.502 24.333 ( -5.267 -8.696 0.000) 10.167 24.333 ( -5.267 8.696 0.000) 10.167 24.645 ( 3.313 -3.905 0.000) 5.122 24.645 ( 3.313 3.905 0.000) 5.122 24.757 ( -1.261 -5.598 0.000) 5.738 24.757 ( -1.261 5.598 0.000) 5.738 ======================= Grid point 20 (12/48) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -0.337 -7.495 0.000) 7.503 0.796 ( 0.337 -7.495 0.000) 7.503 0.796 ( -0.337 7.495 0.000) 7.503 0.796 ( 0.337 7.495 0.000) 7.503 1.500 ( -3.152 -4.353 0.000) 5.374 1.500 ( 3.152 -4.353 0.000) 5.374 1.500 ( -3.152 4.353 0.000) 5.374 1.500 ( 3.152 4.353 0.000) 5.374 2.139 ( -7.481 -3.051 0.000) 8.079 2.139 ( -7.481 3.051 0.000) 8.079 2.139 ( 7.481 -3.051 0.000) 8.079 2.139 ( 7.481 3.051 0.000) 8.079 2.354 ( -1.605 -5.196 0.000) 5.439 2.354 ( 1.605 -5.196 0.000) 5.439 2.354 ( -1.605 5.196 0.000) 5.439 2.354 ( 1.605 5.196 0.000) 5.439 2.618 ( -0.801 -5.470 0.000) 5.528 2.618 ( 0.801 -5.470 0.000) 5.528 2.618 ( -0.801 5.470 0.000) 5.528 2.618 ( 0.801 5.470 0.000) 5.528 2.784 ( -6.107 -2.017 0.000) 6.432 2.784 ( -6.107 2.017 0.000) 6.432 2.784 ( 6.107 -2.017 0.000) 6.432 2.784 ( 6.107 2.017 0.000) 6.432 2.987 ( -3.616 -3.946 0.000) 5.352 2.987 ( 3.616 -3.946 0.000) 5.352 2.987 ( -3.616 3.946 0.000) 5.352 2.987 ( 3.616 3.946 0.000) 5.352 3.342 ( -6.687 -10.128 0.000) 12.136 3.342 ( 6.687 -10.128 0.000) 12.136 3.342 ( -6.687 10.128 0.000) 12.136 3.342 ( 6.687 10.128 0.000) 12.136 3.496 ( -8.907 -1.728 0.000) 9.073 3.496 ( -8.907 1.728 0.000) 9.073 3.496 ( 8.907 -1.728 0.000) 9.073 3.496 ( 8.907 1.728 0.000) 9.073 3.711 ( -0.881 -5.112 0.000) 5.188 3.711 ( 0.881 -5.112 0.000) 5.188 3.711 ( -0.881 5.112 0.000) 5.188 3.711 ( 0.881 5.112 0.000) 5.188 3.868 ( -6.739 -0.695 0.000) 6.775 3.868 ( -6.739 0.695 0.000) 6.775 3.868 ( 6.739 -0.695 0.000) 6.775 3.868 ( 6.739 0.695 0.000) 6.775 4.014 ( -1.105 -3.398 0.000) 3.573 4.014 ( 1.105 -3.398 0.000) 3.573 4.014 ( -1.105 3.398 0.000) 3.573 4.014 ( 1.105 3.398 0.000) 3.573 4.548 ( -0.767 -2.112 0.000) 2.247 4.548 ( 0.767 -2.112 0.000) 2.247 4.548 ( -0.767 2.112 0.000) 2.247 4.548 ( 0.767 2.112 0.000) 2.247 4.633 ( -2.567 -4.461 0.000) 5.147 4.633 ( 2.567 -4.461 0.000) 5.147 4.633 ( -2.567 4.461 0.000) 5.147 4.633 ( 2.567 4.461 0.000) 5.147 4.927 ( -1.076 -3.185 0.000) 3.362 4.927 ( 1.076 -3.185 0.000) 3.362 4.927 ( -1.076 3.185 0.000) 3.362 4.927 ( 1.076 3.185 0.000) 3.362 5.145 ( -1.109 -6.593 0.000) 6.686 5.145 ( 1.109 -6.593 0.000) 6.686 5.145 ( -1.109 6.593 0.000) 6.686 5.145 ( 1.109 6.593 0.000) 6.686 5.468 ( -1.950 -6.145 0.000) 6.447 5.468 ( 1.950 -6.145 0.000) 6.447 5.468 ( -1.950 6.145 0.000) 6.447 5.468 ( 1.950 6.145 0.000) 6.447 5.596 ( -3.182 -4.925 0.000) 5.864 5.596 ( 3.182 -4.925 0.000) 5.864 5.596 ( -3.182 4.925 0.000) 5.864 5.596 ( 3.182 4.925 0.000) 5.864 5.918 ( -1.177 -4.565 0.000) 4.714 5.918 ( 1.177 -4.565 0.000) 4.714 5.918 ( -1.177 4.565 0.000) 4.714 5.918 ( 1.177 4.565 0.000) 4.714 6.149 ( -0.268 -2.614 0.000) 2.628 6.149 ( 0.268 -2.614 0.000) 2.628 6.149 ( -0.268 2.614 0.000) 2.628 6.149 ( 0.268 2.614 0.000) 2.628 6.400 ( -2.101 -7.613 0.000) 7.898 6.400 ( 2.101 -7.613 0.000) 7.898 6.400 ( -2.101 7.613 0.000) 7.898 6.400 ( 2.101 7.613 0.000) 7.898 6.739 ( -4.170 -1.968 0.000) 4.611 6.739 ( -4.170 1.968 0.000) 4.611 6.739 ( 4.170 -1.968 0.000) 4.611 6.739 ( 4.170 1.968 0.000) 4.611 7.258 ( -0.288 -5.015 0.000) 5.023 7.258 ( 0.288 -5.015 0.000) 5.023 7.258 ( -0.288 5.015 0.000) 5.023 7.258 ( 0.288 5.015 0.000) 5.023 7.571 ( -0.583 -1.112 0.000) 1.256 7.571 ( 0.583 -1.112 0.000) 1.256 7.571 ( -0.583 1.112 0.000) 1.256 7.571 ( 0.583 1.112 0.000) 1.256 9.901 ( -5.430 -0.670 0.000) 5.471 9.901 ( -5.430 0.670 0.000) 5.471 9.901 ( 5.430 -0.670 0.000) 5.471 9.901 ( 5.430 0.670 0.000) 5.471 10.162 ( -3.849 -2.423 0.000) 4.548 10.162 ( 3.849 -2.423 0.000) 4.548 10.162 ( -3.849 2.423 0.000) 4.548 10.162 ( 3.849 2.423 0.000) 4.548 10.416 ( -3.596 -4.413 0.000) 5.693 10.416 ( 3.596 -4.413 0.000) 5.693 10.416 ( -3.596 4.413 0.000) 5.693 10.416 ( 3.596 4.413 0.000) 5.693 11.667 ( -1.619 -5.293 0.000) 5.535 11.667 ( 1.619 -5.293 0.000) 5.535 11.667 ( -1.619 5.293 0.000) 5.535 11.667 ( 1.619 5.293 0.000) 5.535 11.841 ( -4.325 -7.089 0.000) 8.304 11.841 ( 4.325 -7.089 0.000) 8.304 11.841 ( -4.325 7.089 0.000) 8.304 11.841 ( 4.325 7.089 0.000) 8.304 12.660 ( -4.452 -8.241 0.000) 9.366 12.660 ( 4.452 -8.241 0.000) 9.366 12.660 ( -4.452 8.241 0.000) 9.366 12.660 ( 4.452 8.241 0.000) 9.366 13.068 ( -0.539 -6.221 0.000) 6.245 13.068 ( 0.539 -6.221 0.000) 6.245 13.068 ( -0.539 6.221 0.000) 6.245 13.068 ( 0.539 6.221 0.000) 6.245 13.346 ( -1.411 -4.375 0.000) 4.596 13.346 ( 1.411 -4.375 0.000) 4.596 13.346 ( -1.411 4.375 0.000) 4.596 13.346 ( 1.411 4.375 0.000) 4.596 13.867 ( -4.007 -7.532 0.000) 8.532 13.867 ( 4.007 -7.532 0.000) 8.532 13.867 ( -4.007 7.532 0.000) 8.532 13.867 ( 4.007 7.532 0.000) 8.532 19.638 ( -0.604 -1.686 0.000) 1.791 19.638 ( 0.604 -1.686 0.000) 1.791 19.638 ( -0.604 1.686 0.000) 1.791 19.638 ( 0.604 1.686 0.000) 1.791 20.600 ( -6.142 -5.115 0.000) 7.992 20.600 ( 6.142 -5.115 0.000) 7.992 20.600 ( -6.142 5.115 0.000) 7.992 20.600 ( 6.142 5.115 0.000) 7.992 21.130 ( -1.825 -1.400 0.000) 2.300 21.130 ( 1.825 -1.400 0.000) 2.300 21.130 ( -1.825 1.400 0.000) 2.300 21.130 ( 1.825 1.400 0.000) 2.300 21.362 ( -3.869 -3.914 0.000) 5.503 21.362 ( 3.869 -3.914 0.000) 5.503 21.362 ( -3.869 3.914 0.000) 5.503 21.362 ( 3.869 3.914 0.000) 5.503 21.658 ( -2.834 -4.664 0.000) 5.457 21.658 ( 2.834 -4.664 0.000) 5.457 21.658 ( -2.834 4.664 0.000) 5.457 21.658 ( 2.834 4.664 0.000) 5.457 22.835 ( -2.559 -10.703 0.000) 11.005 22.835 ( 2.559 -10.703 0.000) 11.005 22.835 ( -2.559 10.703 0.000) 11.005 22.835 ( 2.559 10.703 0.000) 11.005 23.645 ( -1.372 -2.328 0.000) 2.702 23.645 ( 1.372 -2.328 0.000) 2.702 23.645 ( -1.372 2.328 0.000) 2.702 23.645 ( 1.372 2.328 0.000) 2.702 24.246 ( -3.737 -7.382 0.000) 8.274 24.246 ( 3.737 -7.382 0.000) 8.274 24.246 ( -3.737 7.382 0.000) 8.274 24.246 ( 3.737 7.382 0.000) 8.274 24.711 ( -3.098 -4.579 0.000) 5.529 24.711 ( 3.098 -4.579 0.000) 5.529 24.711 ( -3.098 4.579 0.000) 5.529 24.711 ( 3.098 4.579 0.000) 5.529 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 0.000 0.000 16.536) 16.536 0.515 ( 0.000 0.000 25.533) 25.533 0.995 ( 0.000 0.000 46.983) 46.983 1.225 ( 0.000 0.000 10.886) 10.886 1.231 ( 0.000 0.000 32.664) 32.664 1.550 ( 0.000 0.000 4.014) 4.014 1.552 ( 0.000 0.000 3.723) 3.723 1.762 ( 0.000 0.000 -6.530) 6.530 1.974 ( 0.000 0.000 1.481) 1.481 2.113 ( 0.000 0.000 -12.391) 12.391 2.147 ( 0.000 0.000 -3.830) 3.830 2.269 ( 0.000 0.000 4.201) 4.201 2.328 ( 0.000 0.000 -4.234) 4.234 2.362 ( 0.000 0.000 1.610) 1.610 2.415 ( 0.000 0.000 9.140) 9.140 2.451 ( 0.000 0.000 -0.312) 0.312 2.667 ( 0.000 0.000 4.917) 4.917 2.678 ( 0.000 0.000 -1.996) 1.996 2.691 ( 0.000 0.000 -6.077) 6.077 2.848 ( 0.000 0.000 0.951) 0.951 2.851 ( 0.000 0.000 0.895) 0.895 2.939 ( 0.000 0.000 -0.571) 0.571 2.949 ( 0.000 0.000 -2.383) 2.383 3.010 ( 0.000 0.000 2.934) 2.934 3.035 ( 0.000 0.000 0.997) 0.997 3.068 ( 0.000 0.000 -5.251) 5.251 3.075 ( 0.000 0.000 -2.112) 2.112 3.187 ( 0.000 0.000 -0.986) 0.986 3.189 ( 0.000 0.000 4.902) 4.902 3.283 ( 0.000 0.000 2.073) 2.073 3.286 ( 0.000 0.000 -0.338) 0.338 3.296 ( 0.000 0.000 -2.735) 2.735 3.440 ( 0.000 0.000 -2.992) 2.992 3.510 ( 0.000 0.000 9.437) 9.437 3.514 ( 0.000 0.000 1.897) 1.897 3.610 ( 0.000 0.000 -0.958) 0.958 3.635 ( 0.000 0.000 5.414) 5.414 3.704 ( 0.000 0.000 -4.498) 4.498 3.733 ( 0.000 0.000 3.251) 3.251 3.745 ( 0.000 0.000 2.212) 2.212 3.765 ( 0.000 0.000 8.120) 8.120 3.829 ( 0.000 0.000 -0.953) 0.953 3.832 ( 0.000 0.000 -10.865) 10.865 3.919 ( 0.000 0.000 2.756) 2.756 3.971 ( 0.000 0.000 4.162) 4.162 4.073 ( 0.000 0.000 -1.126) 1.126 4.171 ( 0.000 0.000 -5.539) 5.539 4.302 ( 0.000 0.000 -2.546) 2.546 4.311 ( 0.000 0.000 -2.628) 2.628 4.365 ( 0.000 0.000 -7.061) 7.061 4.463 ( 0.000 0.000 -8.455) 8.455 4.499 ( 0.000 0.000 -3.762) 3.762 4.551 ( 0.000 0.000 3.149) 3.149 4.565 ( 0.000 0.000 -7.637) 7.637 4.589 ( 0.000 0.000 -3.293) 3.293 4.626 ( 0.000 0.000 -3.584) 3.584 4.718 ( 0.000 0.000 0.768) 0.768 4.773 ( 0.000 0.000 -0.964) 0.964 4.828 ( 0.000 0.000 0.910) 0.910 4.866 ( 0.000 0.000 3.687) 3.687 4.871 ( 0.000 0.000 -0.393) 0.393 5.016 ( 0.000 0.000 3.807) 3.807 5.112 ( 0.000 0.000 2.618) 2.618 5.208 ( 0.000 0.000 10.004) 10.004 5.226 ( 0.000 0.000 14.306) 14.306 5.278 ( 0.000 0.000 7.533) 7.533 5.286 ( 0.000 0.000 -3.170) 3.170 5.572 ( 0.000 0.000 3.758) 3.758 5.623 ( 0.000 0.000 3.309) 3.309 5.637 ( 0.000 0.000 3.357) 3.357 5.655 ( 0.000 0.000 -7.089) 7.089 5.692 ( 0.000 0.000 3.024) 3.024 5.739 ( 0.000 0.000 -1.492) 1.492 5.843 ( 0.000 0.000 1.817) 1.817 6.008 ( 0.000 0.000 -0.145) 0.145 6.137 ( 0.000 0.000 2.220) 2.220 6.161 ( 0.000 0.000 3.986) 3.986 6.165 ( 0.000 0.000 -2.378) 2.378 6.174 ( 0.000 0.000 0.481) 0.481 6.332 ( 0.000 0.000 -2.487) 2.487 6.490 ( 0.000 0.000 2.243) 2.243 6.522 ( 0.000 0.000 -0.774) 0.774 6.535 ( 0.000 0.000 4.028) 4.028 6.545 ( 0.000 0.000 -1.048) 1.048 6.645 ( 0.000 0.000 0.511) 0.511 6.700 ( 0.000 0.000 -2.040) 2.040 6.759 ( 0.000 0.000 0.687) 0.687 6.952 ( 0.000 0.000 -0.540) 0.540 7.075 ( 0.000 0.000 0.687) 0.687 7.244 ( 0.000 0.000 -0.358) 0.358 7.287 ( 0.000 0.000 -1.620) 1.620 7.405 ( 0.000 0.000 -6.821) 6.821 7.458 ( 0.000 0.000 -1.460) 1.460 7.481 ( 0.000 0.000 -3.371) 3.371 7.498 ( 0.000 0.000 2.171) 2.171 7.628 ( 0.000 0.000 2.088) 2.088 9.859 ( 0.000 0.000 -0.235) 0.235 9.974 ( 0.000 0.000 -2.146) 2.146 10.028 ( 0.000 0.000 -8.303) 8.303 10.180 ( 0.000 0.000 -5.627) 5.627 10.235 ( 0.000 0.000 -0.248) 0.248 10.352 ( 0.000 0.000 0.671) 0.671 10.474 ( 0.000 0.000 1.680) 1.680 10.573 ( 0.000 0.000 -6.776) 6.776 10.590 ( 0.000 0.000 1.007) 1.007 10.627 ( 0.000 0.000 0.403) 0.403 10.773 ( 0.000 0.000 6.607) 6.607 10.882 ( 0.000 0.000 6.449) 6.449 11.137 ( 0.000 0.000 1.072) 1.072 11.235 ( 0.000 0.000 -0.257) 0.257 11.278 ( 0.000 0.000 0.385) 0.385 11.334 ( 0.000 0.000 -1.741) 1.741 11.653 ( 0.000 0.000 2.989) 2.989 11.708 ( 0.000 0.000 0.988) 0.988 11.878 ( 0.000 0.000 2.473) 2.473 12.158 ( 0.000 0.000 0.472) 0.472 12.159 ( 0.000 0.000 1.210) 1.210 12.314 ( 0.000 0.000 -4.293) 4.293 12.506 ( 0.000 0.000 2.866) 2.866 12.872 ( 0.000 0.000 0.212) 0.212 12.888 ( 0.000 0.000 -3.012) 3.012 12.915 ( 0.000 0.000 -0.501) 0.501 13.095 ( 0.000 0.000 -1.881) 1.881 13.158 ( 0.000 0.000 -1.290) 1.290 13.179 ( 0.000 0.000 -3.639) 3.639 13.302 ( 0.000 0.000 -4.818) 4.818 13.335 ( 0.000 0.000 3.562) 3.562 13.376 ( 0.000 0.000 1.684) 1.684 13.537 ( 0.000 0.000 0.837) 0.837 13.696 ( 0.000 0.000 -0.252) 0.252 13.836 ( 0.000 0.000 -2.649) 2.649 14.192 ( 0.000 0.000 -13.259) 13.259 19.561 ( 0.000 0.000 5.966) 5.966 19.769 ( 0.000 0.000 7.737) 7.737 19.817 ( 0.000 0.000 -0.955) 0.955 20.253 ( 0.000 0.000 0.970) 0.970 20.255 ( 0.000 0.000 -1.273) 1.273 20.580 ( 0.000 0.000 -1.780) 1.780 20.821 ( 0.000 0.000 -1.252) 1.252 20.999 ( 0.000 0.000 -2.692) 2.692 21.038 ( 0.000 0.000 0.919) 0.919 21.090 ( 0.000 0.000 1.644) 1.644 21.128 ( 0.000 0.000 -10.940) 10.940 21.287 ( 0.000 0.000 1.425) 1.425 21.290 ( 0.000 0.000 -1.022) 1.022 21.342 ( 0.000 0.000 -3.691) 3.691 21.411 ( 0.000 0.000 8.192) 8.192 21.482 ( 0.000 0.000 6.556) 6.556 21.489 ( 0.000 0.000 4.587) 4.587 21.541 ( 0.000 0.000 -1.406) 1.406 21.870 ( 0.000 0.000 14.704) 14.704 22.021 ( 0.000 0.000 7.285) 7.285 22.094 ( 0.000 0.000 -0.754) 0.754 22.357 ( 0.000 0.000 -0.443) 0.443 22.771 ( 0.000 0.000 -6.342) 6.342 23.166 ( 0.000 0.000 -6.067) 6.067 23.555 ( 0.000 0.000 0.613) 0.613 23.560 ( 0.000 0.000 0.701) 0.701 23.646 ( 0.000 0.000 0.050) 0.050 23.769 ( 0.000 0.000 -0.965) 0.965 23.966 ( 0.000 0.000 0.037) 0.037 24.036 ( 0.000 0.000 2.333) 2.333 24.183 ( 0.000 0.000 -0.543) 0.543 24.491 ( 0.000 0.000 1.562) 1.562 24.562 ( 0.000 0.000 -4.370) 4.370 24.629 ( 0.000 0.000 -0.925) 0.925 24.683 ( 0.000 0.000 -1.333) 1.333 24.905 ( 0.000 0.000 -2.824) 2.824 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 8.430 0.000 13.695) 16.082 0.676 ( 12.660 0.000 20.211) 23.848 1.111 ( -7.299 0.000 12.875) 14.800 1.156 ( 11.633 0.000 31.555) 33.631 1.240 ( -0.823 0.000 28.224) 28.236 1.516 ( -2.810 0.000 4.714) 5.488 1.554 ( -0.101 0.000 8.357) 8.358 1.620 ( -6.139 0.000 -3.045) 6.852 2.089 ( 4.186 0.000 -0.840) 4.269 2.122 ( -1.426 0.000 -6.299) 6.458 2.193 ( 4.022 0.000 -6.987) 8.062 2.292 ( -1.464 0.000 -6.614) 6.774 2.296 ( 3.553 0.000 1.144) 3.732 2.390 ( 2.460 0.000 1.738) 3.012 2.396 ( -1.687 0.000 7.073) 7.271 2.434 ( 0.442 0.000 2.493) 2.532 2.584 ( -4.297 0.000 0.835) 4.378 2.634 ( -7.869 0.000 -1.100) 7.945 2.664 ( -5.142 0.000 -1.552) 5.371 2.695 ( -6.736 0.000 -4.441) 8.068 2.803 ( -3.483 0.000 1.633) 3.847 2.817 ( -9.326 0.000 3.362) 9.914 2.932 ( -2.945 0.000 -0.116) 2.947 2.934 ( -7.618 0.000 1.048) 7.690 2.970 ( -3.222 0.000 -1.101) 3.405 3.003 ( -2.034 0.000 0.495) 2.093 3.099 ( 0.933 0.000 -0.201) 0.955 3.145 ( -3.965 0.000 2.250) 4.559 3.271 ( 0.165 0.000 -5.356) 5.359 3.286 ( 5.702 0.000 0.835) 5.763 3.342 ( -1.864 0.000 7.053) 7.296 3.373 ( 5.702 0.000 -4.424) 7.217 3.406 ( 0.558 0.000 -1.539) 1.637 3.472 ( -2.254 0.000 3.267) 3.969 3.531 ( 0.602 0.000 0.167) 0.625 3.593 ( 1.777 0.000 -0.690) 1.906 3.594 ( -4.415 0.000 3.085) 5.386 3.690 ( 1.495 0.000 5.588) 5.785 3.728 ( 4.249 0.000 1.259) 4.432 3.788 ( 1.139 0.000 -0.729) 1.352 3.842 ( 6.645 0.000 1.997) 6.939 3.857 ( 1.539 0.000 1.740) 2.322 3.956 ( -0.401 0.000 5.555) 5.569 3.992 ( 9.544 0.000 -5.487) 11.009 4.027 ( 7.557 0.000 2.411) 7.933 4.104 ( -9.452 0.000 -2.037) 9.669 4.173 ( -4.795 0.000 -4.348) 6.473 4.263 ( 10.119 0.000 -1.572) 10.241 4.294 ( -12.645 0.000 -1.287) 12.710 4.346 ( -1.975 0.000 -8.548) 8.773 4.491 ( 3.086 0.000 -4.692) 5.616 4.501 ( 1.696 0.000 -11.530) 11.654 4.549 ( 4.437 0.000 4.991) 6.678 4.598 ( 6.215 0.000 -4.110) 7.451 4.638 ( 3.963 0.000 -3.349) 5.188 4.730 ( -0.241 0.000 0.972) 1.001 4.740 ( 1.572 0.000 1.452) 2.139 4.811 ( 1.274 0.000 -1.346) 1.853 4.857 ( 5.528 0.000 -3.522) 6.554 4.861 ( -5.865 0.000 4.810) 7.585 4.878 ( 6.237 0.000 1.370) 6.386 4.972 ( 1.690 0.000 2.480) 3.002 5.215 ( 4.721 0.000 4.931) 6.826 5.267 ( 4.592 0.000 12.750) 13.552 5.276 ( 9.618 0.000 1.853) 9.795 5.302 ( 3.226 0.000 -1.920) 3.754 5.312 ( 3.184 0.000 7.206) 7.878 5.578 ( -0.845 0.000 6.824) 6.876 5.591 ( -0.945 0.000 -1.606) 1.863 5.623 ( -2.956 0.000 -5.527) 6.268 5.660 ( 1.552 0.000 4.391) 4.657 5.684 ( -0.782 0.000 1.647) 1.824 5.743 ( 0.302 0.000 0.686) 0.749 5.859 ( 1.724 0.000 1.626) 2.370 5.993 ( -3.752 0.000 2.462) 4.488 6.055 ( -6.082 0.000 2.340) 6.517 6.100 ( -4.686 0.000 3.309) 5.736 6.140 ( 1.292 0.000 -1.634) 2.083 6.206 ( 1.085 0.000 -2.507) 2.731 6.388 ( -5.789 0.000 2.553) 6.327 6.436 ( 5.605 0.000 -1.839) 5.899 6.465 ( -5.647 0.000 -0.238) 5.652 6.469 ( -5.096 0.000 3.001) 5.914 6.629 ( -1.381 0.000 0.025) 1.381 6.650 ( 5.269 0.000 -7.487) 9.155 6.668 ( -2.582 0.000 -2.219) 3.404 6.718 ( -3.872 0.000 0.945) 3.986 6.898 ( -4.589 0.000 0.153) 4.592 7.071 ( 0.272 0.000 -0.151) 0.311 7.262 ( 1.733 0.000 -1.322) 2.179 7.306 ( 1.713 0.000 -1.154) 2.066 7.329 ( -6.193 0.000 -0.983) 6.271 7.484 ( 2.310 0.000 -2.032) 3.077 7.511 ( 1.117 0.000 1.371) 1.769 7.512 ( 2.310 0.000 -3.525) 4.214 7.551 ( -1.837 0.000 4.068) 4.464 9.836 ( -1.622 0.000 0.005) 1.622 9.990 ( 1.332 0.000 -1.838) 2.270 10.005 ( -2.813 0.000 -6.195) 6.804 10.119 ( -4.919 0.000 1.210) 5.066 10.231 ( -0.608 0.000 0.284) 0.670 10.286 ( -2.666 0.000 4.890) 5.570 10.379 ( -3.455 0.000 0.799) 3.546 10.383 ( -14.821 0.000 1.089) 14.861 10.443 ( -8.031 0.000 5.836) 9.927 10.488 ( -11.887 0.000 0.048) 11.887 10.595 ( -6.179 0.000 -3.861) 7.286 10.775 ( -7.613 0.000 -1.122) 7.695 11.288 ( 10.014 0.000 1.277) 10.096 11.379 ( 11.375 0.000 -0.297) 11.379 11.466 ( 13.768 0.000 0.863) 13.795 11.627 ( -1.861 0.000 3.063) 3.584 11.719 ( 11.802 0.000 -6.590) 13.517 11.735 ( 1.789 0.000 0.792) 1.956 11.888 ( 2.345 0.000 0.786) 2.473 12.182 ( 1.052 0.000 1.277) 1.655 12.191 ( 3.207 0.000 0.589) 3.261 12.368 ( 4.313 0.000 -4.228) 6.039 12.514 ( 1.524 0.000 2.604) 3.017 12.878 ( 0.771 0.000 -0.359) 0.851 12.885 ( -0.398 0.000 -3.040) 3.066 12.964 ( 1.200 0.000 -3.244) 3.459 13.173 ( -0.535 0.000 -3.538) 3.578 13.176 ( 1.696 0.000 -0.823) 1.885 13.259 ( -2.592 0.000 -2.033) 3.294 13.267 ( 11.698 0.000 -9.563) 15.109 13.364 ( -0.985 0.000 1.454) 1.756 13.396 ( 4.279 0.000 0.435) 4.301 13.532 ( 0.097 0.000 1.070) 1.074 13.683 ( -1.304 0.000 -0.094) 1.307 13.852 ( 1.114 0.000 -2.735) 2.953 14.184 ( -2.689 0.000 -13.824) 14.083 19.578 ( 1.649 0.000 6.043) 6.264 19.758 ( -1.149 0.000 7.810) 7.894 19.769 ( -3.163 0.000 1.929) 3.705 20.247 ( -13.368 0.000 11.933) 17.920 20.288 ( 3.340 0.000 0.257) 3.350 20.447 ( -11.430 0.000 20.519) 23.487 20.564 ( -1.467 0.000 -1.845) 2.357 20.875 ( 4.827 0.000 -2.030) 5.236 21.031 ( -1.370 0.000 0.600) 1.495 21.039 ( 0.572 0.000 -0.135) 0.588 21.116 ( 2.485 0.000 0.684) 2.577 21.137 ( 0.479 0.000 -8.317) 8.330 21.268 ( -3.853 0.000 1.299) 4.066 21.340 ( 0.020 0.000 -3.159) 3.159 21.456 ( 1.874 0.000 1.358) 2.314 21.472 ( -0.934 0.000 5.108) 5.193 21.513 ( 0.931 0.000 0.194) 0.951 21.619 ( 2.198 0.000 2.978) 3.701 21.811 ( -5.705 0.000 12.947) 14.148 21.948 ( -2.458 0.000 2.461) 3.479 22.398 ( 3.720 0.000 -0.362) 3.737 22.715 ( 19.147 0.000 -17.965) 26.255 22.739 ( -3.010 0.000 -5.126) 5.944 23.142 ( -2.264 0.000 -5.867) 6.289 23.565 ( 1.064 0.000 0.474) 1.165 23.632 ( 1.613 0.000 -1.649) 2.306 23.654 ( 2.951 0.000 -2.293) 3.738 23.764 ( -0.444 0.000 -0.904) 1.008 23.980 ( 1.197 0.000 0.111) 1.202 24.035 ( -0.044 0.000 2.168) 2.168 24.206 ( 2.278 0.000 -0.778) 2.407 24.516 ( 2.332 0.000 1.126) 2.590 24.527 ( -3.317 0.000 -3.930) 5.143 24.636 ( 1.095 0.000 -2.136) 2.400 24.693 ( 0.655 0.000 -0.962) 1.163 24.951 ( 1.065 0.000 -7.010) 7.090 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 8.167 0.000 16.626) 18.523 0.912 ( 9.916 0.000 15.701) 18.570 1.045 ( -5.171 0.000 17.139) 17.902 1.181 ( 2.246 0.000 11.336) 11.557 1.236 ( -4.642 0.000 10.153) 11.164 1.493 ( 1.493 0.000 2.567) 2.970 1.498 ( 0.319 0.000 9.743) 9.748 1.695 ( 3.052 0.000 9.113) 9.611 2.106 ( 0.842 0.000 -3.799) 3.892 2.123 ( 3.628 0.000 1.760) 4.033 2.221 ( -0.733 0.000 -2.118) 2.241 2.237 ( -3.461 0.000 -7.943) 8.665 2.314 ( -5.057 0.000 0.567) 5.088 2.391 ( 1.753 0.000 7.204) 7.414 2.418 ( -15.585 0.000 -3.046) 15.880 2.467 ( 6.310 0.000 -3.140) 7.048 2.475 ( -5.022 0.000 -4.107) 6.488 2.552 ( 7.115 0.000 -0.893) 7.171 2.585 ( -6.246 0.000 0.533) 6.269 2.597 ( 5.336 0.000 -0.880) 5.408 2.699 ( -4.615 0.000 1.877) 4.982 2.701 ( -2.277 0.000 3.863) 4.484 2.824 ( -3.145 0.000 2.678) 4.131 2.880 ( 0.531 0.000 -0.317) 0.618 2.932 ( -1.783 0.000 -0.341) 1.815 2.954 ( -5.083 0.000 4.529) 6.808 3.050 ( -5.459 0.000 6.380) 8.397 3.136 ( 1.924 0.000 -2.288) 2.989 3.234 ( -5.420 0.000 -1.685) 5.676 3.259 ( -1.312 0.000 0.111) 1.316 3.377 ( -7.056 0.000 -1.792) 7.280 3.406 ( -2.915 0.000 1.080) 3.109 3.417 ( 8.577 0.000 -1.054) 8.642 3.443 ( 2.189 0.000 -1.271) 2.531 3.550 ( 2.938 0.000 3.823) 4.822 3.564 ( 0.710 0.000 2.971) 3.055 3.726 ( 8.499 0.000 0.539) 8.516 3.759 ( 1.410 0.000 -2.299) 2.697 3.804 ( 1.641 0.000 0.116) 1.645 3.824 ( 0.322 0.000 0.676) 0.749 3.844 ( 2.679 0.000 4.743) 5.447 3.889 ( -7.006 0.000 -0.700) 7.041 3.931 ( 1.119 0.000 -1.632) 1.979 3.948 ( -6.074 0.000 7.820) 9.902 4.013 ( -6.633 0.000 -1.296) 6.758 4.090 ( -4.097 0.000 -1.222) 4.275 4.146 ( 4.672 0.000 -2.541) 5.319 4.191 ( 6.038 0.000 3.013) 6.748 4.292 ( -3.505 0.000 -8.008) 8.741 4.407 ( -6.703 0.000 -0.794) 6.750 4.455 ( 7.842 0.000 1.268) 7.944 4.538 ( 1.427 0.000 3.407) 3.693 4.616 ( 1.548 0.000 0.235) 1.565 4.677 ( -1.389 0.000 1.533) 2.069 4.737 ( 5.285 0.000 -1.988) 5.646 4.750 ( 1.236 0.000 5.635) 5.769 4.786 ( 0.810 0.000 2.236) 2.378 4.817 ( 6.027 0.000 -2.065) 6.370 4.857 ( 3.214 0.000 -4.177) 5.270 4.928 ( 3.521 0.000 -1.875) 3.989 5.015 ( 4.318 0.000 0.439) 4.341 5.021 ( 1.669 0.000 -0.490) 1.739 5.307 ( 2.788 0.000 -1.960) 3.408 5.327 ( 0.397 0.000 0.979) 1.057 5.365 ( 3.931 0.000 6.241) 7.376 5.418 ( 6.355 0.000 4.348) 7.700 5.532 ( 11.526 0.000 1.046) 11.574 5.532 ( -1.735 0.000 5.550) 5.815 5.584 ( -0.927 0.000 0.965) 1.338 5.585 ( 1.192 0.000 -1.564) 1.966 5.663 ( -1.049 0.000 -0.539) 1.179 5.716 ( 4.155 0.000 2.423) 4.810 5.749 ( 0.381 0.000 -0.385) 0.542 5.905 ( -3.474 0.000 4.207) 5.456 5.912 ( 2.109 0.000 1.467) 2.569 5.931 ( -4.742 0.000 2.955) 5.587 6.000 ( -3.950 0.000 1.588) 4.257 6.153 ( -4.707 0.000 -0.340) 4.719 6.205 ( -1.098 0.000 -2.170) 2.432 6.265 ( -3.018 0.000 1.444) 3.345 6.319 ( -8.169 0.000 -0.097) 8.170 6.353 ( -4.409 0.000 2.407) 5.023 6.580 ( 6.992 0.000 -5.151) 8.684 6.589 ( -2.434 0.000 -0.619) 2.512 6.619 ( -3.724 0.000 -1.183) 3.907 6.653 ( 0.139 0.000 0.430) 0.452 6.715 ( 1.137 0.000 -8.656) 8.730 6.797 ( -5.226 0.000 0.430) 5.244 7.097 ( 2.112 0.000 -2.008) 2.915 7.224 ( -4.388 0.000 0.150) 4.391 7.306 ( 2.370 0.000 -2.130) 3.186 7.339 ( 1.175 0.000 -1.067) 1.587 7.531 ( 2.100 0.000 -2.839) 3.531 7.535 ( 1.151 0.000 0.324) 1.196 7.549 ( 1.234 0.000 -3.761) 3.958 7.549 ( 0.488 0.000 1.237) 1.330 9.825 ( 1.219 0.000 0.688) 1.400 9.943 ( -1.977 0.000 0.681) 2.091 10.024 ( 2.076 0.000 -1.360) 2.482 10.048 ( -4.190 0.000 1.659) 4.506 10.104 ( -12.204 0.000 1.249) 12.267 10.199 ( -4.193 0.000 0.177) 4.197 10.223 ( -2.585 0.000 0.835) 2.717 10.260 ( -10.047 0.000 -0.373) 10.054 10.297 ( 1.663 0.000 0.931) 1.906 10.449 ( 1.095 0.000 -1.174) 1.605 10.455 ( -4.750 0.000 -1.271) 4.917 10.645 ( -6.114 0.000 -3.094) 6.852 11.442 ( 5.643 0.000 1.775) 5.916 11.560 ( 1.674 0.000 0.424) 1.727 11.619 ( 5.023 0.000 2.111) 5.449 11.686 ( 7.675 0.000 1.239) 7.774 11.757 ( 0.126 0.000 0.341) 0.364 11.798 ( 0.126 0.000 1.189) 1.196 11.997 ( 6.919 0.000 -1.771) 7.142 12.179 ( -1.547 0.000 0.756) 1.722 12.272 ( 4.562 0.000 0.765) 4.626 12.405 ( -1.001 0.000 -0.777) 1.267 12.614 ( 8.075 0.000 -1.084) 8.148 12.860 ( -2.548 0.000 -3.025) 3.955 12.905 ( 1.937 0.000 -1.082) 2.219 12.968 ( -0.531 0.000 -2.462) 2.518 13.163 ( -0.242 0.000 -3.222) 3.231 13.209 ( -2.381 0.000 -2.200) 3.241 13.220 ( 2.560 0.000 -0.426) 2.595 13.322 ( -2.107 0.000 0.197) 2.116 13.449 ( 5.880 0.000 -5.263) 7.891 13.487 ( 4.731 0.000 -0.006) 4.731 13.541 ( 0.315 0.000 1.088) 1.133 13.643 ( -2.742 0.000 0.132) 2.745 13.882 ( 2.278 0.000 -3.483) 4.162 14.079 ( -6.763 0.000 -8.780) 11.083 19.621 ( 2.527 0.000 6.396) 6.877 19.724 ( -2.224 0.000 7.621) 7.939 19.739 ( 0.531 0.000 5.796) 5.820 19.939 ( -10.863 0.000 17.970) 20.998 20.372 ( 4.763 0.000 -1.167) 4.904 20.525 ( -2.512 0.000 -2.155) 3.310 20.545 ( 9.441 0.000 2.708) 9.822 20.938 ( -7.928 0.000 3.127) 8.522 20.972 ( 4.086 0.000 -3.816) 5.591 21.073 ( 1.352 0.000 -4.105) 4.322 21.149 ( 2.726 0.000 -0.225) 2.735 21.166 ( 1.827 0.000 -1.539) 2.388 21.206 ( -1.806 0.000 -1.359) 2.261 21.342 ( -0.739 0.000 -1.489) 1.662 21.456 ( 0.202 0.000 2.563) 2.571 21.496 ( 1.886 0.000 0.843) 2.065 21.533 ( 0.572 0.000 -0.817) 0.997 21.665 ( -8.359 0.000 8.566) 11.969 21.680 ( 4.497 0.000 3.626) 5.776 21.883 ( -4.174 0.000 1.632) 4.481 22.484 ( 4.629 0.000 -0.518) 4.658 22.664 ( -4.366 0.000 -2.836) 5.206 22.919 ( 5.653 0.000 -8.853) 10.504 23.083 ( -3.526 0.000 -5.646) 6.656 23.590 ( 1.290 0.000 0.317) 1.328 23.627 ( -0.636 0.000 -0.053) 0.639 23.711 ( 1.905 0.000 -2.790) 3.378 23.754 ( -0.617 0.000 -0.974) 1.153 24.005 ( 1.210 0.000 0.485) 1.303 24.033 ( -0.218 0.000 1.692) 1.706 24.268 ( 3.845 0.000 -1.339) 4.072 24.445 ( -4.659 0.000 -2.960) 5.520 24.572 ( 2.969 0.000 0.105) 2.971 24.650 ( -0.334 0.000 -2.215) 2.240 24.727 ( 3.334 0.000 -1.390) 3.612 24.912 ( -4.205 0.000 -4.952) 6.496 ======================= Grid point 38 (16/48) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -13.884 0.000 18.934) 23.479 0.801 ( 13.884 0.000 18.934) 23.479 1.082 ( -8.451 0.000 11.091) 13.944 1.082 ( 8.451 0.000 11.091) 13.944 1.401 ( -11.695 0.000 6.019) 13.153 1.401 ( 11.695 0.000 6.019) 13.153 1.618 ( -8.090 0.000 4.400) 9.209 1.618 ( 8.090 0.000 4.400) 9.209 2.174 ( -6.790 0.000 -2.049) 7.092 2.174 ( 6.790 0.000 -2.049) 7.092 2.196 ( -1.601 0.000 -5.028) 5.277 2.196 ( 1.601 0.000 -5.028) 5.277 2.222 ( -2.176 0.000 1.255) 2.512 2.222 ( 2.176 0.000 1.255) 2.512 2.463 ( -2.444 0.000 3.160) 3.995 2.463 ( 2.444 0.000 3.160) 3.995 2.477 ( -2.924 0.000 -1.892) 3.483 2.477 ( 2.924 0.000 -1.892) 3.483 2.602 ( -6.093 0.000 -2.730) 6.676 2.602 ( 6.093 0.000 -2.730) 6.676 2.752 ( -6.870 0.000 0.822) 6.919 2.752 ( 6.870 0.000 0.822) 6.919 2.859 ( -8.199 0.000 1.629) 8.359 2.859 ( 8.199 0.000 1.629) 8.359 2.923 ( -5.236 0.000 7.318) 8.998 2.923 ( 5.236 0.000 7.318) 8.998 2.978 ( -11.825 0.000 3.396) 12.302 2.978 ( 11.825 0.000 3.396) 12.302 3.242 ( -5.425 0.000 -2.129) 5.828 3.242 ( 5.425 0.000 -2.129) 5.828 3.322 ( -5.378 0.000 0.478) 5.399 3.322 ( 5.378 0.000 0.478) 5.399 3.518 ( -4.532 0.000 1.139) 4.673 3.518 ( 4.532 0.000 1.139) 4.673 3.586 ( -4.329 0.000 -4.131) 5.984 3.586 ( 4.329 0.000 -4.131) 5.984 3.732 ( -4.225 0.000 4.661) 6.291 3.732 ( 4.225 0.000 4.661) 6.291 3.796 ( -0.630 0.000 0.047) 0.631 3.796 ( 0.630 0.000 0.047) 0.631 3.903 ( -4.655 0.000 -0.970) 4.755 3.903 ( 4.655 0.000 -0.970) 4.755 3.905 ( -2.844 0.000 -0.002) 2.844 3.905 ( 2.844 0.000 -0.002) 2.844 4.006 ( -3.830 0.000 3.898) 5.465 4.006 ( 3.830 0.000 3.898) 5.465 4.218 ( -3.550 0.000 -5.765) 6.770 4.218 ( 3.550 0.000 -5.765) 6.770 4.290 ( -4.766 0.000 1.531) 5.006 4.290 ( 4.766 0.000 1.531) 5.006 4.546 ( -1.334 0.000 5.344) 5.508 4.546 ( 1.334 0.000 5.344) 5.508 4.645 ( -1.645 0.000 0.737) 1.803 4.645 ( 1.645 0.000 0.737) 1.803 4.773 ( -1.495 0.000 5.840) 6.028 4.773 ( 1.495 0.000 5.840) 6.028 4.833 ( -4.079 0.000 -3.187) 5.177 4.833 ( 4.079 0.000 -3.187) 5.177 4.979 ( -6.169 0.000 -4.960) 7.915 4.979 ( 6.169 0.000 -4.960) 7.915 5.016 ( -3.771 0.000 2.038) 4.286 5.016 ( 3.771 0.000 2.038) 4.286 5.321 ( -0.532 0.000 0.228) 0.579 5.321 ( 0.532 0.000 0.228) 0.579 5.435 ( -2.732 0.000 2.930) 4.006 5.435 ( 2.732 0.000 2.930) 4.006 5.558 ( -1.929 0.000 2.161) 2.896 5.558 ( 1.929 0.000 2.161) 2.896 5.624 ( -2.905 0.000 -2.377) 3.754 5.624 ( 2.905 0.000 -2.377) 3.754 5.717 ( -4.941 0.000 2.280) 5.441 5.717 ( 4.941 0.000 2.280) 5.441 5.811 ( -5.286 0.000 1.658) 5.540 5.811 ( 5.286 0.000 1.658) 5.540 5.963 ( -9.876 0.000 2.800) 10.265 5.963 ( 9.876 0.000 2.800) 10.265 5.971 ( -0.706 0.000 1.698) 1.839 5.971 ( 0.706 0.000 1.698) 1.839 6.198 ( -2.434 0.000 -0.780) 2.556 6.198 ( 2.434 0.000 -0.780) 2.556 6.287 ( -2.602 0.000 0.112) 2.604 6.287 ( 2.602 0.000 0.112) 2.604 6.566 ( -0.714 0.000 -0.531) 0.890 6.566 ( 0.714 0.000 -0.531) 0.890 6.691 ( -3.671 0.000 -7.142) 8.030 6.691 ( 3.671 0.000 -7.142) 8.030 6.702 ( -4.061 0.000 -0.018) 4.061 6.702 ( 4.061 0.000 -0.018) 4.061 7.149 ( -3.228 0.000 -1.582) 3.594 7.149 ( 3.228 0.000 -1.582) 3.594 7.342 ( -0.973 0.000 -1.786) 2.034 7.342 ( 0.973 0.000 -1.786) 2.034 7.551 ( -0.382 0.000 0.280) 0.474 7.551 ( 0.382 0.000 0.280) 0.474 7.557 ( -0.446 0.000 -3.490) 3.518 7.557 ( 0.446 0.000 -3.490) 3.518 9.903 ( -6.941 0.000 1.128) 7.032 9.903 ( 6.941 0.000 1.128) 7.032 9.955 ( -3.359 0.000 3.189) 4.632 9.955 ( 3.359 0.000 3.189) 4.632 10.105 ( -5.585 0.000 -0.762) 5.636 10.105 ( 5.585 0.000 -0.762) 5.636 10.184 ( -1.649 0.000 -1.692) 2.363 10.184 ( 1.649 0.000 -1.692) 2.363 10.351 ( -3.738 0.000 -0.068) 3.739 10.351 ( 3.738 0.000 -0.068) 3.739 10.532 ( -5.096 0.000 -2.141) 5.528 10.532 ( 5.096 0.000 -2.141) 5.528 11.525 ( -3.034 0.000 2.066) 3.671 11.525 ( 3.034 0.000 2.066) 3.671 11.726 ( -3.559 0.000 0.194) 3.564 11.726 ( 3.559 0.000 0.194) 3.564 11.778 ( -2.304 0.000 1.532) 2.767 11.778 ( 2.304 0.000 1.532) 2.767 12.117 ( -4.726 0.000 -0.514) 4.754 12.117 ( 4.726 0.000 -0.514) 4.754 12.356 ( -3.628 0.000 0.584) 3.675 12.356 ( 3.628 0.000 0.584) 3.675 12.770 ( -6.668 0.000 -2.620) 7.164 12.770 ( 6.668 0.000 -2.620) 7.164 12.945 ( -1.776 0.000 -1.688) 2.450 12.945 ( 1.776 0.000 -1.688) 2.450 13.172 ( -1.206 0.000 -2.736) 2.989 13.172 ( 1.206 0.000 -2.736) 2.989 13.273 ( -2.715 0.000 -0.267) 2.728 13.273 ( 2.715 0.000 -0.267) 2.728 13.526 ( -2.146 0.000 -0.961) 2.352 13.526 ( 2.146 0.000 -0.961) 2.352 13.576 ( -4.041 0.000 0.089) 4.041 13.576 ( 4.041 0.000 0.089) 4.041 13.955 ( -5.221 0.000 -5.101) 7.299 13.955 ( 5.221 0.000 -5.101) 7.299 19.674 ( -2.714 0.000 7.026) 7.532 19.674 ( 2.714 0.000 7.026) 7.532 19.791 ( -4.769 0.000 10.607) 11.629 19.791 ( 4.769 0.000 10.607) 11.629 20.461 ( -3.972 0.000 -2.143) 4.513 20.461 ( 3.972 0.000 -2.143) 4.513 20.747 ( -10.565 0.000 2.717) 10.909 20.747 ( 10.565 0.000 2.717) 10.909 21.041 ( -3.118 0.000 -4.683) 5.626 21.041 ( 3.118 0.000 -4.683) 5.626 21.187 ( -0.633 0.000 -1.717) 1.830 21.187 ( 0.633 0.000 -1.717) 1.830 21.267 ( -6.484 0.000 1.575) 6.672 21.267 ( 6.484 0.000 1.575) 6.672 21.517 ( -5.802 0.000 3.306) 6.677 21.517 ( 5.802 0.000 3.306) 6.677 21.526 ( -1.079 0.000 0.263) 1.110 21.526 ( 1.079 0.000 0.263) 1.110 21.786 ( -5.522 0.000 1.822) 5.815 21.786 ( 5.522 0.000 1.822) 5.815 22.575 ( -4.529 0.000 -1.231) 4.694 22.575 ( 4.529 0.000 -1.231) 4.694 23.008 ( -3.982 0.000 -5.995) 7.197 23.008 ( 3.982 0.000 -5.995) 7.197 23.612 ( -0.938 0.000 0.122) 0.946 23.612 ( 0.938 0.000 0.122) 0.946 23.738 ( -0.979 0.000 -1.532) 1.818 23.738 ( 0.979 0.000 -1.532) 1.818 24.025 ( -0.708 0.000 1.072) 1.285 24.025 ( 0.708 0.000 1.072) 1.285 24.352 ( -4.555 0.000 -2.043) 4.993 24.352 ( 4.555 0.000 -2.043) 4.993 24.624 ( -2.112 0.000 -1.056) 2.361 24.624 ( 2.112 0.000 -1.056) 2.361 24.815 ( -5.101 0.000 -2.807) 5.822 24.815 ( 5.101 0.000 -2.807) 5.822 ======================= Grid point 42 (17/48) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.000 11.175 20.386) 23.248 0.696 ( 0.000 25.629 8.834) 27.109 1.052 ( 0.000 6.198 36.956) 37.472 1.123 ( 0.000 -8.741 13.636) 16.197 1.144 ( 0.000 -7.945 30.120) 31.150 1.572 ( 0.000 2.043 4.726) 5.149 1.590 ( 0.000 2.555 6.953) 7.408 1.650 ( 0.000 -11.733 -3.041) 12.121 2.080 ( 0.000 9.875 1.151) 9.942 2.173 ( 0.000 2.333 -3.468) 4.179 2.242 ( 0.000 12.248 -11.560) 16.842 2.302 ( 0.000 -1.578 -3.286) 3.645 2.302 ( 0.000 3.570 3.911) 5.295 2.392 ( 0.000 -2.021 6.465) 6.774 2.398 ( 0.000 -0.037 -0.971) 0.971 2.436 ( 0.000 0.239 1.507) 1.526 2.576 ( 0.000 -8.988 1.252) 9.074 2.642 ( 0.000 -5.220 2.885) 5.964 2.692 ( 0.000 0.593 -3.980) 4.024 2.832 ( 0.000 -3.475 -2.167) 4.095 2.857 ( 0.000 4.544 1.850) 4.906 2.902 ( 0.000 -1.829 -2.277) 2.920 2.958 ( 0.000 0.400 -2.469) 2.502 2.998 ( 0.000 -7.115 -7.031) 10.003 3.043 ( 0.000 2.348 0.719) 2.455 3.061 ( 0.000 -1.989 -0.540) 2.061 3.091 ( 0.000 3.720 4.654) 5.958 3.158 ( 0.000 -1.049 -0.278) 1.086 3.193 ( 0.000 -0.200 2.621) 2.629 3.293 ( 0.000 4.276 3.768) 5.699 3.299 ( 0.000 0.792 -3.958) 4.036 3.350 ( 0.000 6.245 0.025) 6.245 3.463 ( 0.000 -5.239 8.892) 10.321 3.529 ( 0.000 1.707 -4.385) 4.706 3.561 ( 0.000 -0.467 -4.600) 4.624 3.571 ( 0.000 5.557 1.597) 5.782 3.592 ( 0.000 -6.873 -3.064) 7.525 3.694 ( 0.000 -6.798 1.923) 7.065 3.751 ( 0.000 2.350 2.589) 3.497 3.761 ( 0.000 5.118 -0.854) 5.188 3.802 ( 0.000 2.506 5.485) 6.031 3.844 ( 0.000 5.309 -0.678) 5.352 3.861 ( 0.000 1.521 -5.420) 5.629 3.901 ( 0.000 -1.952 2.676) 3.312 3.956 ( 0.000 -1.305 4.815) 4.988 4.069 ( 0.000 -1.048 -3.551) 3.703 4.152 ( 0.000 -1.884 -5.991) 6.280 4.244 ( 0.000 -7.279 1.482) 7.428 4.317 ( 0.000 0.541 -1.359) 1.463 4.362 ( 0.000 -1.899 -2.865) 3.437 4.457 ( 0.000 -3.138 -3.722) 4.868 4.496 ( 0.000 -0.652 -4.963) 5.006 4.497 ( 0.000 1.735 -4.701) 5.010 4.562 ( 0.000 -0.683 -5.001) 5.047 4.613 ( 0.000 -0.074 -4.236) 4.236 4.631 ( 0.000 4.154 -2.047) 4.631 4.715 ( 0.000 -0.307 0.958) 1.006 4.764 ( 0.000 -1.677 -1.857) 2.502 4.795 ( 0.000 2.058 2.289) 3.078 4.864 ( 0.000 0.200 0.601) 0.634 4.945 ( 0.000 -0.020 3.189) 3.189 5.010 ( 0.000 2.301 3.841) 4.477 5.046 ( 0.000 -6.066 2.902) 6.724 5.201 ( 0.000 -3.875 3.948) 5.532 5.315 ( 0.000 6.018 7.555) 9.659 5.326 ( 0.000 3.667 7.049) 7.945 5.355 ( 0.000 6.694 -2.364) 7.099 5.548 ( 0.000 -5.927 -2.310) 6.361 5.570 ( 0.000 -1.219 6.947) 7.053 5.641 ( 0.000 -4.713 0.538) 4.743 5.678 ( 0.000 8.087 -2.473) 8.456 5.750 ( 0.000 2.521 0.267) 2.535 5.760 ( 0.000 6.052 5.036) 7.874 5.888 ( 0.000 3.018 -0.369) 3.040 5.976 ( 0.000 -2.070 -0.169) 2.077 6.043 ( 0.000 -6.031 1.880) 6.318 6.105 ( 0.000 -2.678 -0.526) 2.730 6.128 ( 0.000 -3.413 3.210) 4.686 6.230 ( 0.000 2.825 0.213) 2.833 6.401 ( 0.000 0.189 -0.392) 0.435 6.440 ( 0.000 -4.854 0.242) 4.860 6.452 ( 0.000 -3.317 2.574) 4.198 6.551 ( 0.000 4.957 2.237) 5.438 6.616 ( 0.000 3.169 -3.653) 4.836 6.672 ( 0.000 1.900 -0.227) 1.913 6.698 ( 0.000 -0.226 -2.064) 2.076 6.806 ( 0.000 4.502 0.336) 4.515 6.937 ( 0.000 -1.749 -0.920) 1.976 7.112 ( 0.000 4.151 0.443) 4.174 7.221 ( 0.000 -3.831 1.743) 4.209 7.248 ( 0.000 0.853 1.813) 2.004 7.412 ( 0.000 -1.719 -4.818) 5.115 7.470 ( 0.000 1.028 -2.695) 2.884 7.481 ( 0.000 -0.003 -3.423) 3.423 7.501 ( 0.000 0.246 2.213) 2.227 7.570 ( 0.000 -5.242 5.673) 7.724 9.874 ( 0.000 1.760 0.039) 1.760 9.972 ( 0.000 -0.710 -1.969) 2.093 10.026 ( 0.000 -0.258 -7.772) 7.776 10.089 ( 0.000 -8.264 -1.293) 8.364 10.246 ( 0.000 1.348 -0.191) 1.362 10.339 ( 0.000 -1.926 -0.025) 1.926 10.411 ( 0.000 -5.733 6.877) 8.953 10.453 ( 0.000 -2.182 2.353) 3.209 10.606 ( 0.000 1.096 0.881) 1.407 10.630 ( 0.000 0.116 0.510) 0.524 10.764 ( 0.000 -0.850 6.075) 6.134 10.767 ( 0.000 -2.403 6.661) 7.081 11.240 ( 0.000 0.495 -0.269) 0.564 11.241 ( 0.000 2.593 -2.915) 3.901 11.281 ( 0.000 0.767 -0.580) 0.962 11.325 ( 0.000 -0.877 -1.849) 2.046 11.680 ( 0.000 2.856 2.936) 4.096 11.768 ( 0.000 4.780 1.038) 4.891 11.821 ( 0.000 -3.338 4.401) 5.524 12.047 ( 0.000 -9.078 1.210) 9.158 12.318 ( 0.000 7.099 -6.979) 9.955 12.354 ( 0.000 2.006 -2.913) 3.537 12.596 ( 0.000 8.916 1.116) 8.986 12.871 ( 0.000 -0.235 -0.896) 0.926 12.906 ( 0.000 -0.559 -0.907) 1.065 12.908 ( 0.000 -0.734 -0.392) 0.832 12.974 ( 0.000 -4.469 -0.918) 4.563 13.084 ( 0.000 -4.766 -2.261) 5.275 13.242 ( 0.000 3.572 -2.344) 4.272 13.333 ( 0.000 -1.353 -1.431) 1.969 13.358 ( 0.000 2.497 3.130) 4.005 13.466 ( 0.000 -1.645 -0.075) 1.647 13.718 ( 0.000 7.593 -5.754) 9.527 13.758 ( 0.000 18.158 -16.241) 24.361 13.822 ( 0.000 -1.596 -2.460) 2.932 14.158 ( 0.000 -3.924 -14.884) 15.393 19.588 ( 0.000 2.694 3.894) 4.735 19.709 ( 0.000 -3.889 2.667) 4.716 19.913 ( 0.000 8.080 5.778) 9.933 20.240 ( 0.000 -2.261 -1.134) 2.529 20.260 ( 0.000 0.825 1.462) 1.679 20.527 ( 0.000 -14.944 6.470) 16.284 20.716 ( 0.000 -14.634 11.943) 18.889 20.781 ( 0.000 -3.937 -0.055) 3.937 21.019 ( 0.000 -0.796 -0.629) 1.015 21.021 ( 0.000 -0.691 -1.469) 1.623 21.151 ( 0.000 4.966 1.624) 5.224 21.293 ( 0.000 0.679 1.190) 1.370 21.304 ( 0.000 -1.680 0.436) 1.735 21.334 ( 0.000 -1.209 -4.377) 4.541 21.411 ( 0.000 0.105 7.972) 7.973 21.430 ( 0.000 -1.686 5.817) 6.056 21.514 ( 0.000 -1.740 8.694) 8.866 21.531 ( 0.000 -1.032 -0.780) 1.293 21.671 ( 0.000 3.068 5.172) 6.014 21.943 ( 0.000 -7.554 4.605) 8.847 22.377 ( 0.000 9.333 -1.974) 9.540 22.399 ( 0.000 3.471 2.428) 4.236 22.798 ( 0.000 3.043 -6.295) 6.992 23.008 ( 0.000 -9.850 -0.369) 9.857 23.555 ( 0.000 0.052 0.597) 0.600 23.559 ( 0.000 -0.099 0.671) 0.678 23.654 ( 0.000 0.991 0.037) 0.992 23.733 ( 0.000 -3.051 -0.480) 3.088 24.023 ( 0.000 4.266 -0.087) 4.267 24.160 ( 0.000 -2.484 -0.579) 2.551 24.240 ( 0.000 13.036 -9.469) 16.112 24.470 ( 0.000 -2.517 -2.770) 3.743 24.592 ( 0.000 3.528 -0.406) 3.551 24.641 ( 0.000 1.160 -1.111) 1.607 24.678 ( 0.000 -0.630 -1.321) 1.463 24.810 ( 0.000 -7.834 1.906) 8.063 ======================= Grid point 43 (18/48) ======================= q-point: ( 0.17 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 3.185 14.259 14.073) 20.286 0.794 ( 7.313 13.264 16.193) 22.173 1.034 ( -4.097 -8.027 13.437) 16.180 1.138 ( 2.594 -3.992 25.695) 26.132 1.261 ( 10.475 5.641 26.353) 28.914 1.532 ( -3.318 1.417 5.361) 6.462 1.556 ( -3.945 -0.844 6.334) 7.509 1.612 ( -1.829 -2.006 1.530) 3.116 2.078 ( 1.683 2.789 -2.290) 3.982 2.172 ( 0.593 2.380 -2.640) 3.603 2.233 ( -4.173 1.676 -2.592) 5.190 2.302 ( -0.914 1.564 -7.706) 7.916 2.326 ( 0.288 2.205 1.837) 2.884 2.359 ( 0.337 -2.294 2.812) 3.645 2.417 ( 0.402 -0.145 1.178) 1.253 2.433 ( -0.203 1.158 2.788) 3.025 2.505 ( -1.911 -4.154 0.449) 4.594 2.618 ( -2.851 -4.010 0.795) 4.984 2.697 ( 0.453 1.478 -1.339) 2.046 2.725 ( -7.555 3.055 -4.440) 9.281 2.768 ( -9.639 0.911 -2.940) 10.118 2.867 ( -2.820 2.671 2.238) 4.483 2.925 ( -6.479 -1.827 -1.552) 6.908 2.944 ( -1.739 0.446 -0.595) 1.891 2.990 ( -6.429 4.854 1.697) 8.232 3.035 ( -0.041 2.231 -0.087) 2.233 3.062 ( -0.959 -3.243 0.053) 3.382 3.114 ( -0.281 -5.093 1.505) 5.319 3.229 ( -0.105 -1.033 -0.049) 1.040 3.265 ( -2.566 -0.503 2.203) 3.419 3.320 ( 3.602 -3.770 -3.739) 6.416 3.408 ( 1.853 3.548 7.293) 8.319 3.451 ( 2.374 2.880 -1.143) 3.904 3.483 ( -2.858 -0.898 0.678) 3.072 3.565 ( 1.568 1.275 -1.560) 2.553 3.585 ( -0.040 3.333 -2.385) 4.098 3.652 ( -0.218 0.088 -0.452) 0.509 3.656 ( 0.132 -0.112 4.644) 4.647 3.736 ( 0.903 -0.491 -0.139) 1.037 3.786 ( 3.211 -2.831 2.776) 5.102 3.788 ( 3.554 3.410 0.783) 4.987 3.885 ( 2.673 0.943 0.577) 2.893 3.927 ( -0.349 -2.378 3.589) 4.320 3.984 ( 5.026 -4.881 2.040) 7.297 4.002 ( 4.135 -0.787 0.436) 4.232 4.087 ( -5.596 -1.511 -2.643) 6.371 4.193 ( -8.923 -0.375 0.424) 8.941 4.246 ( -5.411 -2.247 -4.217) 7.219 4.288 ( 9.735 2.157 -2.702) 10.331 4.410 ( -1.831 3.090 -7.447) 8.268 4.468 ( 5.701 -1.861 -7.050) 9.256 4.484 ( 6.583 -2.697 0.962) 7.179 4.506 ( 1.870 1.340 -4.015) 4.627 4.612 ( 4.535 -2.679 -2.543) 5.849 4.634 ( 3.356 2.095 -3.788) 5.477 4.695 ( 1.771 -3.259 -2.637) 4.550 4.717 ( -0.325 -0.547 4.302) 4.349 4.788 ( -0.177 -0.958 -0.443) 1.070 4.835 ( -1.110 -0.287 2.366) 2.630 4.874 ( 4.666 -0.237 -1.535) 4.918 4.942 ( 6.696 3.577 1.894) 7.824 5.033 ( 2.407 2.719 2.978) 4.696 5.209 ( 8.511 -3.081 4.870) 10.279 5.240 ( 4.711 -3.143 0.679) 5.704 5.284 ( -1.721 7.959 0.112) 8.144 5.354 ( 3.086 4.556 6.914) 8.837 5.382 ( 3.886 4.126 5.948) 8.216 5.517 ( -2.505 -4.346 0.866) 5.091 5.546 ( -2.226 -4.479 2.091) 5.421 5.597 ( -2.016 -5.392 0.795) 5.811 5.659 ( -0.149 5.653 1.878) 5.958 5.757 ( 1.050 4.431 0.648) 4.600 5.809 ( 0.009 6.493 1.537) 6.673 5.899 ( 2.552 2.282 0.115) 3.425 5.967 ( -3.097 -1.891 1.870) 4.082 6.026 ( -0.726 -5.012 1.756) 5.360 6.038 ( -4.253 -1.993 1.853) 5.049 6.123 ( -0.887 -2.940 -1.334) 3.348 6.217 ( -1.299 0.672 0.008) 1.463 6.361 ( -5.152 -3.627 2.114) 6.646 6.407 ( -3.873 -3.323 2.045) 5.498 6.447 ( 1.960 -1.803 -0.491) 2.708 6.504 ( -4.325 4.298 0.358) 6.108 6.602 ( -1.924 -1.005 -3.671) 4.264 6.661 ( -0.539 1.565 -1.595) 2.298 6.680 ( -1.606 0.547 -1.062) 2.002 6.782 ( -1.744 4.838 -1.748) 5.432 6.889 ( -4.092 -1.084 -0.518) 4.265 7.112 ( 0.336 4.433 -0.052) 4.446 7.224 ( 0.572 -2.743 0.975) 2.967 7.272 ( 1.716 -0.325 1.266) 2.157 7.368 ( -3.856 -0.712 -2.147) 4.470 7.490 ( 1.957 0.626 -2.007) 2.872 7.505 ( 1.844 -0.404 -2.703) 3.297 7.513 ( 1.164 0.096 0.617) 1.321 7.538 ( -0.484 -1.377 3.021) 3.355 9.850 ( -1.711 1.674 0.173) 2.400 9.962 ( -1.988 -3.082 -1.049) 3.815 10.016 ( -0.111 0.741 -4.506) 4.568 10.070 ( -0.887 -3.535 -1.334) 3.881 10.247 ( -0.561 1.765 0.270) 1.871 10.304 ( -3.317 2.031 5.033) 6.360 10.343 ( -3.109 -2.766 0.037) 4.162 10.402 ( -11.530 0.939 1.334) 11.645 10.419 ( -8.373 -2.186 5.242) 10.118 10.490 ( -10.905 -1.577 -0.917) 11.056 10.582 ( -7.194 0.578 -1.135) 7.306 10.700 ( -7.368 -5.048 1.317) 9.028 11.363 ( 9.809 5.970 -0.338) 11.487 11.392 ( 11.400 1.384 -0.035) 11.484 11.456 ( 13.423 -0.979 0.554) 13.470 11.604 ( 11.907 -6.482 -2.802) 13.844 11.672 ( 1.191 1.861 2.240) 3.147 11.779 ( 0.773 3.284 0.506) 3.411 11.818 ( 0.024 -3.309 4.081) 5.253 12.053 ( 0.377 -9.358 0.899) 9.409 12.344 ( 2.514 8.387 -3.526) 9.439 12.421 ( 6.204 2.289 -3.167) 7.332 12.591 ( -0.498 8.426 1.201) 8.526 12.866 ( -0.379 -2.417 -2.473) 3.479 12.890 ( 0.294 0.561 -0.589) 0.864 12.965 ( 0.870 1.096 -2.297) 2.689 13.040 ( 6.361 -9.686 -1.708) 11.713 13.097 ( 1.185 -4.739 -2.072) 5.306 13.242 ( 0.203 3.416 -1.895) 3.912 13.327 ( 0.218 -0.337 -1.005) 1.083 13.365 ( 0.016 1.627 2.949) 3.368 13.479 ( 0.924 -2.724 1.044) 3.061 13.677 ( -2.634 13.936 -10.789) 17.820 13.732 ( -0.858 6.436 -3.444) 7.349 13.845 ( 0.828 0.180 -3.176) 3.288 14.137 ( -3.302 -5.338 -13.960) 15.306 19.600 ( 1.263 2.243 4.581) 5.255 19.701 ( -0.489 -3.174 3.340) 4.633 19.849 ( -4.690 5.846 7.897) 10.887 20.143 ( -13.961 -9.349 15.336) 22.749 20.317 ( 3.682 1.801 0.971) 4.212 20.395 ( 1.043 -3.309 8.515) 9.195 20.615 ( -2.353 4.404 1.257) 5.149 20.814 ( 2.641 -5.723 0.062) 6.303 21.020 ( -0.122 0.945 -1.578) 1.844 21.069 ( 3.074 -0.833 -1.183) 3.397 21.148 ( -1.696 4.913 -2.389) 5.720 21.169 ( -0.413 2.667 -1.544) 3.109 21.246 ( -3.792 -1.731 -0.909) 4.266 21.345 ( 0.976 -2.314 -0.355) 2.536 21.445 ( 0.249 2.091 2.887) 3.573 21.479 ( 1.379 0.822 1.952) 2.528 21.510 ( 1.170 -0.528 -0.352) 1.331 21.673 ( -0.023 2.155 5.980) 6.356 21.708 ( 2.789 -5.833 6.220) 8.972 21.913 ( -2.795 -4.712 4.942) 7.378 22.444 ( 4.529 4.627 0.794) 6.523 22.654 ( 16.350 -5.958 -10.876) 20.521 22.776 ( -1.999 3.744 -5.157) 6.679 23.007 ( -0.266 -10.056 -1.482) 10.168 23.567 ( 1.156 0.213 0.504) 1.279 23.596 ( 3.044 -2.150 -0.059) 3.727 23.650 ( -0.346 0.834 0.084) 0.907 23.727 ( -0.493 -3.080 -0.430) 3.149 24.038 ( 1.406 4.582 -0.106) 4.794 24.179 ( 0.660 1.023 -1.678) 2.074 24.198 ( -1.869 8.474 -3.734) 9.447 24.466 ( -1.342 -4.063 -4.164) 5.971 24.573 ( -0.458 3.211 1.130) 3.435 24.638 ( 0.823 0.086 -1.191) 1.450 24.692 ( 0.616 0.325 -1.163) 1.356 24.859 ( 2.006 -8.068 -2.697) 8.741 ======================= Grid point 44 (19/48) ======================= q-point: ( 0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 4.763 11.609 14.080) 18.860 0.937 ( 6.570 2.520 16.084) 17.556 1.027 ( -0.533 -2.409 15.902) 16.092 1.114 ( -4.327 -4.287 15.159) 16.337 1.347 ( 0.884 8.122 5.562) 9.884 1.482 ( 1.130 -1.147 2.714) 3.156 1.510 ( 0.638 1.978 9.748) 9.967 1.675 ( 2.472 -2.759 8.967) 9.702 2.078 ( 0.100 0.171 -2.041) 2.050 2.159 ( -3.061 -0.635 -0.202) 3.133 2.216 ( 1.334 1.752 -1.715) 2.791 2.246 ( -1.295 -1.295 -2.309) 2.947 2.271 ( -3.133 -2.053 -3.605) 5.199 2.349 ( -4.295 0.054 2.964) 5.219 2.436 ( 1.457 -3.836 0.685) 4.160 2.477 ( -7.882 4.208 -2.796) 9.362 2.527 ( 0.033 -2.616 -3.591) 4.443 2.551 ( 3.709 -0.681 2.958) 4.792 2.580 ( -0.274 5.101 0.292) 5.116 2.631 ( 0.925 1.569 0.225) 1.836 2.689 ( -1.302 3.203 -0.307) 3.471 2.799 ( -5.021 0.292 -0.104) 5.030 2.834 ( -1.670 7.686 3.189) 8.488 2.877 ( -0.655 1.554 -0.831) 1.880 2.917 ( -1.948 -0.650 -0.030) 2.054 2.969 ( -5.913 0.534 3.711) 7.002 3.047 ( -2.862 -1.065 2.722) 4.091 3.109 ( -1.179 -3.479 -2.436) 4.408 3.217 ( 2.305 0.238 -0.140) 2.321 3.295 ( -1.067 -0.466 -1.624) 1.998 3.338 ( -0.703 -0.421 0.991) 1.286 3.397 ( -1.303 1.946 0.176) 2.349 3.468 ( -2.489 3.166 0.127) 4.029 3.488 ( 2.602 -5.051 3.255) 6.549 3.534 ( 2.348 7.086 -0.375) 7.475 3.594 ( 1.129 1.573 0.380) 1.973 3.707 ( 6.349 -0.825 1.159) 6.507 3.759 ( 3.905 -3.664 0.275) 5.362 3.779 ( -2.234 -2.945 1.557) 4.011 3.800 ( 2.710 1.687 3.810) 4.970 3.843 ( -0.066 -1.215 -0.520) 1.323 3.885 ( -5.183 -1.587 1.749) 5.696 3.903 ( -3.384 -2.204 6.294) 7.478 3.943 ( -0.794 -0.388 -2.427) 2.583 3.987 ( -5.254 -1.142 -2.591) 5.968 4.031 ( -4.371 -4.855 0.478) 6.551 4.077 ( 2.396 -5.556 0.284) 6.057 4.176 ( -1.413 -3.415 2.323) 4.365 4.377 ( 0.003 5.944 -5.246) 7.928 4.388 ( -0.655 3.519 -3.784) 5.209 4.526 ( 4.138 2.454 -2.414) 5.383 4.560 ( 2.307 1.169 1.567) 3.025 4.603 ( 3.224 0.467 1.212) 3.476 4.665 ( 0.151 -0.470 -0.295) 0.575 4.735 ( 4.333 -1.848 3.364) 5.788 4.738 ( 2.810 -0.421 2.642) 3.880 4.753 ( 1.628 -2.384 1.589) 3.295 4.814 ( 4.140 -3.272 0.005) 5.277 4.845 ( 2.892 2.408 -2.626) 4.589 4.948 ( 2.607 -1.130 -3.206) 4.284 5.046 ( 1.181 6.537 1.426) 6.794 5.084 ( 3.077 4.972 0.430) 5.863 5.266 ( 0.297 -3.302 -0.289) 3.327 5.334 ( 1.206 0.612 1.661) 2.142 5.360 ( 5.259 -2.478 3.581) 6.829 5.435 ( 3.355 -0.389 5.199) 6.200 5.464 ( -0.570 -1.547 2.818) 3.265 5.497 ( 4.339 -0.115 1.080) 4.473 5.543 ( 5.074 -1.880 2.171) 5.831 5.575 ( 0.318 -6.504 -2.226) 6.882 5.693 ( 2.440 2.955 3.045) 4.895 5.769 ( -1.738 1.518 -0.976) 2.505 5.784 ( 0.377 6.052 1.016) 6.149 5.879 ( -3.883 -0.995 3.613) 5.396 5.943 ( -3.100 0.317 2.545) 4.024 5.964 ( 1.973 2.591 -0.528) 3.299 6.009 ( -1.141 1.543 1.464) 2.414 6.131 ( 0.294 -5.950 -3.156) 6.741 6.154 ( -3.520 0.867 0.277) 3.636 6.257 ( -4.682 -1.390 1.917) 5.247 6.337 ( -2.716 0.780 1.591) 3.243 6.391 ( -5.589 4.219 0.035) 7.003 6.496 ( 1.098 -6.064 -2.761) 6.753 6.548 ( -2.967 -4.266 -2.943) 5.972 6.651 ( 0.123 1.528 0.115) 1.537 6.667 ( 1.374 1.454 -2.120) 2.915 6.755 ( -1.341 2.896 -5.239) 6.134 6.798 ( -4.864 -0.024 -0.448) 4.885 7.133 ( 1.705 4.000 -1.390) 4.565 7.222 ( -1.486 0.448 0.760) 1.728 7.299 ( 0.938 -1.295 -1.321) 2.074 7.322 ( -0.205 -2.165 -0.971) 2.381 7.531 ( 1.721 0.004 -1.874) 2.544 7.534 ( 1.139 -0.016 -0.475) 1.234 7.541 ( 1.277 -0.292 -1.976) 2.371 7.550 ( 0.940 -0.334 -1.105) 1.488 9.836 ( 0.990 1.314 0.888) 1.869 9.919 ( -1.063 -2.424 1.406) 2.997 10.030 ( -0.033 0.421 -1.653) 1.706 10.045 ( -2.920 -0.430 -0.175) 2.957 10.114 ( -10.153 1.321 2.057) 10.443 10.186 ( -5.378 -1.450 1.363) 5.735 10.228 ( -4.683 0.963 0.557) 4.813 10.273 ( -7.573 0.693 -0.982) 7.667 10.311 ( 0.822 1.398 0.678) 1.758 10.418 ( 2.642 -3.260 -0.615) 4.242 10.453 ( -5.788 0.488 -0.974) 5.890 10.582 ( -5.080 -5.592 -1.626) 7.728 11.508 ( 5.140 6.217 0.930) 8.120 11.599 ( 4.522 3.925 -0.020) 5.988 11.641 ( 3.442 2.392 2.301) 4.781 11.669 ( 7.026 -1.742 1.026) 7.311 11.775 ( 0.561 -2.455 1.311) 2.839 11.787 ( 0.067 3.141 -0.012) 3.142 11.871 ( 6.673 -9.510 0.121) 11.618 12.048 ( -1.263 -9.727 0.230) 9.811 12.411 ( 3.978 9.699 -0.553) 10.498 12.528 ( 0.777 9.028 -1.707) 9.220 12.613 ( 5.564 0.288 -0.417) 5.587 12.834 ( -2.913 -3.734 -2.483) 5.348 12.920 ( 2.251 2.012 -1.455) 3.351 12.974 ( 0.061 1.414 -2.198) 2.614 13.108 ( 1.179 -5.225 -3.232) 6.256 13.131 ( 1.074 -6.626 -3.017) 7.359 13.258 ( 1.492 2.946 -0.580) 3.353 13.342 ( -1.402 2.507 2.419) 3.755 13.369 ( 3.059 -3.135 -0.451) 4.403 13.484 ( -0.839 -4.331 1.833) 4.777 13.661 ( 0.836 10.204 -5.984) 11.859 13.716 ( -0.936 6.742 -1.873) 7.060 13.862 ( 1.450 -2.035 -3.194) 4.055 14.033 ( -6.294 -5.230 -8.478) 11.783 19.637 ( 2.355 1.639 5.908) 6.568 19.705 ( 1.047 -1.609 5.936) 6.239 19.767 ( -3.376 2.558 8.297) 9.315 19.900 ( -9.006 -3.832 15.471) 18.307 20.405 ( 5.144 3.260 -0.427) 6.105 20.523 ( 8.673 -2.236 1.818) 9.140 20.573 ( -2.525 5.013 -0.835) 5.675 20.830 ( -2.777 -7.960 1.374) 8.541 21.019 ( 0.833 2.756 -2.827) 4.035 21.108 ( -1.431 2.299 -3.812) 4.676 21.128 ( 1.530 -2.222 -2.813) 3.897 21.164 ( -0.943 -1.356 0.244) 1.670 21.221 ( 2.380 3.367 -0.509) 4.155 21.370 ( 1.089 -0.105 -0.573) 1.235 21.407 ( -2.332 -0.861 1.133) 2.732 21.501 ( -0.677 -1.112 2.075) 2.450 21.565 ( 3.272 2.730 -1.252) 4.442 21.646 ( -2.881 -1.811 5.659) 6.604 21.703 ( 0.317 2.534 5.145) 5.744 21.844 ( -4.094 -3.915 2.849) 6.341 22.547 ( 5.232 6.731 -0.794) 8.562 22.713 ( -3.384 5.249 -3.642) 7.230 22.866 ( 5.759 -6.158 -8.158) 11.732 22.990 ( -1.591 -8.917 -3.711) 9.788 23.594 ( 1.443 0.534 0.333) 1.574 23.634 ( -0.299 0.565 -0.155) 0.658 23.660 ( 2.143 -3.296 -0.465) 3.959 23.715 ( -0.722 -3.200 -0.437) 3.309 24.070 ( 1.620 5.525 -0.073) 5.758 24.135 ( -2.178 9.179 -1.073) 9.495 24.245 ( 3.575 -2.725 -1.278) 4.673 24.406 ( -4.106 -4.334 -3.350) 6.846 24.597 ( 2.281 2.481 0.437) 3.399 24.663 ( 0.427 1.354 -2.112) 2.545 24.708 ( 2.008 -1.664 -0.837) 2.739 24.848 ( -2.715 -6.228 -3.241) 7.527 ======================= Grid point 45 (20/48) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -10.130 5.971 17.172) 20.812 0.864 ( 10.130 5.971 17.172) 20.812 1.046 ( -4.291 -3.479 12.324) 13.506 1.046 ( 4.291 -3.479 12.324) 13.506 1.456 ( -7.337 5.090 5.117) 10.292 1.456 ( 7.337 5.090 5.117) 10.292 1.600 ( -7.711 -2.068 4.442) 9.136 1.600 ( 7.711 -2.068 4.442) 9.136 2.122 ( -4.171 -1.693 -1.513) 4.749 2.122 ( 4.171 -1.693 -1.513) 4.749 2.207 ( -2.925 -2.632 0.707) 3.998 2.207 ( 2.925 -2.632 0.707) 3.998 2.252 ( -0.689 3.498 -3.533) 5.019 2.252 ( 0.689 3.498 -3.533) 5.019 2.413 ( -1.746 -4.592 -2.534) 5.528 2.413 ( 1.746 -4.592 -2.534) 5.528 2.517 ( -3.695 5.984 1.563) 7.204 2.517 ( 3.695 5.984 1.563) 7.204 2.697 ( -4.246 3.845 1.079) 5.829 2.697 ( 4.246 3.845 1.079) 5.829 2.737 ( -8.448 0.808 -0.745) 8.519 2.737 ( 8.448 0.808 -0.745) 8.519 2.844 ( -8.370 -1.505 2.406) 8.838 2.844 ( 8.370 -1.505 2.406) 8.838 2.907 ( -4.356 0.263 2.805) 5.188 2.907 ( 4.356 0.263 2.805) 5.188 3.023 ( -5.905 1.765 2.760) 6.753 3.023 ( 5.905 1.765 2.760) 6.753 3.235 ( -1.105 1.913 -0.021) 2.210 3.235 ( 1.105 1.913 -0.021) 2.210 3.359 ( -6.369 3.229 0.580) 7.164 3.359 ( 6.369 3.229 0.580) 7.164 3.505 ( -3.680 -2.453 -1.611) 4.706 3.505 ( 3.680 -2.453 -1.611) 4.706 3.610 ( -4.106 2.858 -0.259) 5.010 3.610 ( 4.106 2.858 -0.259) 5.010 3.701 ( -3.059 -3.676 4.196) 6.362 3.701 ( 3.059 -3.676 4.196) 6.362 3.799 ( -2.086 -2.409 0.054) 3.187 3.799 ( 2.086 -2.409 0.054) 3.187 3.855 ( -2.502 -1.177 -2.070) 3.454 3.855 ( 2.502 -1.177 -2.070) 3.454 3.914 ( -2.041 -2.276 3.975) 5.015 3.914 ( 2.041 -2.276 3.975) 5.015 3.969 ( -1.969 -0.469 0.651) 2.126 3.969 ( 1.969 -0.469 0.651) 2.126 4.121 ( -2.807 -7.128 0.180) 7.663 4.121 ( 2.807 -7.128 0.180) 7.663 4.377 ( -0.254 6.750 -3.781) 7.741 4.377 ( 0.254 6.750 -3.781) 7.741 4.575 ( -0.824 -0.706 0.585) 1.232 4.575 ( 0.824 -0.706 0.585) 1.232 4.655 ( -1.980 3.504 4.915) 6.352 4.655 ( 1.980 3.504 4.915) 6.352 4.759 ( -1.614 -0.849 5.378) 5.679 4.759 ( 1.614 -0.849 5.378) 5.679 4.838 ( -5.218 0.048 -2.351) 5.723 4.838 ( 5.218 0.048 -2.351) 5.723 4.927 ( -5.391 -3.946 -4.330) 7.962 4.927 ( 5.391 -3.946 -4.330) 7.962 5.080 ( -2.695 5.250 2.247) 6.315 5.080 ( 2.695 5.250 2.247) 6.315 5.289 ( -2.818 -3.413 1.784) 4.772 5.289 ( 2.818 -3.413 1.784) 4.772 5.436 ( -1.617 -1.019 3.163) 3.695 5.436 ( 1.617 -1.019 3.163) 3.695 5.514 ( -1.991 -1.140 -0.950) 2.483 5.514 ( 1.991 -1.140 -0.950) 2.483 5.608 ( -3.373 -2.951 0.648) 4.528 5.608 ( 3.373 -2.951 0.648) 4.528 5.728 ( -2.684 -0.444 1.400) 3.060 5.728 ( 2.684 -0.444 1.400) 3.060 5.825 ( -2.495 2.014 2.389) 3.998 5.825 ( 2.495 2.014 2.389) 3.998 5.932 ( -2.307 1.275 0.173) 2.642 5.932 ( 2.307 1.275 0.173) 2.642 6.063 ( -3.837 5.131 0.238) 6.411 6.063 ( 3.837 5.131 0.238) 6.411 6.174 ( -2.546 -2.247 -0.654) 3.458 6.174 ( 2.546 -2.247 -0.654) 3.458 6.318 ( -1.446 3.077 0.605) 3.453 6.318 ( 1.446 3.077 0.605) 3.453 6.503 ( -1.069 -5.879 -2.122) 6.342 6.503 ( 1.069 -5.879 -2.122) 6.342 6.699 ( -3.899 0.951 -1.560) 4.306 6.699 ( 3.899 0.951 -1.560) 4.306 6.718 ( -3.026 0.844 -3.431) 4.653 6.718 ( 3.026 0.844 -3.431) 4.653 7.176 ( -2.566 3.066 -1.052) 4.134 7.176 ( 2.566 3.066 -1.052) 4.134 7.319 ( -0.747 -2.722 -1.587) 3.238 7.319 ( 0.747 -2.722 -1.587) 3.238 7.547 ( -0.089 -0.093 -1.040) 1.048 7.547 ( 0.089 -0.093 -1.040) 1.048 7.558 ( -0.281 -0.151 -2.229) 2.251 7.558 ( 0.281 -0.151 -2.229) 2.251 9.909 ( -6.541 0.651 1.491) 6.740 9.909 ( 6.541 0.651 1.491) 6.740 9.946 ( -3.955 -0.947 2.887) 4.987 9.946 ( 3.955 -0.947 2.887) 4.987 10.117 ( -4.908 1.336 -0.788) 5.147 10.117 ( 4.908 1.336 -0.788) 5.147 10.177 ( -2.612 -0.960 -1.691) 3.257 10.177 ( 2.612 -0.960 -1.691) 3.257 10.362 ( -3.447 1.526 -0.022) 3.770 10.362 ( 3.447 1.526 -0.022) 3.770 10.489 ( -4.262 -4.248 -1.429) 6.185 10.489 ( 4.262 -4.248 -1.429) 6.185 11.580 ( -2.481 5.540 1.685) 6.300 11.580 ( 2.481 5.540 1.685) 6.300 11.748 ( -1.912 0.612 0.537) 2.079 11.748 ( 1.912 0.612 0.537) 2.079 11.759 ( -0.640 -0.262 1.076) 1.280 11.759 ( 0.640 -0.262 1.076) 1.280 11.992 ( -4.564 -9.752 -0.330) 10.772 11.992 ( 4.564 -9.752 -0.330) 10.772 12.487 ( -3.427 10.272 -0.039) 10.828 12.487 ( 3.427 10.272 -0.039) 10.828 12.746 ( -6.036 -3.131 -2.067) 7.107 12.746 ( 6.036 -3.131 -2.067) 7.107 12.960 ( -1.490 2.268 -2.047) 3.399 12.960 ( 1.490 2.268 -2.047) 3.399 13.127 ( -0.871 -4.713 -3.624) 6.009 13.127 ( 0.871 -4.713 -3.624) 6.009 13.298 ( -2.390 2.772 0.960) 3.784 13.298 ( 2.390 2.772 0.960) 3.784 13.441 ( -3.313 -5.008 0.780) 6.055 13.441 ( 3.313 -5.008 0.780) 6.055 13.690 ( -1.637 7.934 -2.339) 8.432 13.690 ( 1.637 7.934 -2.339) 8.432 13.920 ( -4.560 -3.886 -4.846) 7.705 13.920 ( 4.560 -3.886 -4.846) 7.705 19.690 ( -2.816 1.719 7.344) 8.051 19.690 ( 2.816 1.719 7.344) 8.051 19.772 ( -4.243 -2.028 9.795) 10.865 19.772 ( 4.243 -2.028 9.795) 10.865 20.503 ( -4.415 4.478 -1.389) 6.439 20.503 ( 4.415 4.478 -1.389) 6.439 20.703 ( -8.762 -4.641 1.789) 10.075 20.703 ( 8.762 -4.641 1.789) 10.075 21.060 ( -2.762 1.949 -3.786) 5.076 21.060 ( 2.762 1.949 -3.786) 5.076 21.152 ( -0.641 -2.875 -1.520) 3.314 21.152 ( 0.641 -2.875 -1.520) 3.314 21.308 ( -5.211 3.437 0.892) 6.306 21.308 ( 5.211 3.437 0.892) 6.306 21.444 ( -3.936 -4.194 0.993) 5.837 21.444 ( 3.936 -4.194 0.993) 5.837 21.605 ( -1.444 4.820 2.501) 5.619 21.605 ( 1.444 4.820 2.501) 5.619 21.757 ( -4.337 -3.041 2.213) 5.741 21.757 ( 4.337 -3.041 2.213) 5.741 22.639 ( -4.114 6.859 -2.036) 8.254 22.639 ( 4.114 6.859 -2.036) 8.254 22.945 ( -2.894 -6.835 -5.405) 9.182 22.945 ( 2.894 -6.835 -5.405) 9.182 23.619 ( -1.024 0.837 0.132) 1.330 23.619 ( 1.024 0.837 0.132) 1.330 23.696 ( -1.330 -3.450 -0.592) 3.745 23.696 ( 1.330 -3.450 -0.592) 3.745 24.100 ( -1.494 7.023 -0.157) 7.181 24.100 ( 1.494 7.023 -0.157) 7.181 24.322 ( -4.165 -3.529 -2.070) 5.838 24.322 ( 4.165 -3.529 -2.070) 5.838 24.642 ( -1.986 2.111 -0.931) 3.044 24.642 ( 1.986 2.111 -0.931) 3.044 24.775 ( -4.062 -3.989 -2.096) 6.067 24.775 ( 4.062 -3.989 -2.096) 6.067 ======================= Grid point 49 (21/48) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 0.000 -14.309 14.224) 20.176 0.862 ( 0.000 14.309 14.224) 20.176 0.991 ( 0.000 -9.344 25.726) 27.370 0.991 ( 0.000 9.344 25.726) 27.370 1.359 ( 0.000 -20.174 10.100) 22.561 1.359 ( 0.000 20.174 10.100) 22.561 1.605 ( 0.000 -1.025 6.937) 7.012 1.605 ( 0.000 1.025 6.937) 7.012 2.205 ( 0.000 -0.433 -2.265) 2.306 2.205 ( 0.000 0.433 -2.265) 2.306 2.316 ( 0.000 -4.391 0.278) 4.400 2.316 ( 0.000 4.391 0.278) 4.400 2.366 ( 0.000 -1.782 0.965) 2.026 2.366 ( 0.000 1.782 0.965) 2.026 2.453 ( 0.000 -2.253 2.741) 3.548 2.453 ( 0.000 2.253 2.741) 3.548 2.488 ( 0.000 -12.071 -5.405) 13.226 2.488 ( 0.000 12.071 -5.405) 13.226 2.742 ( 0.000 -5.183 -2.540) 5.772 2.742 ( 0.000 5.183 -2.540) 5.772 2.902 ( 0.000 -2.557 -4.601) 5.264 2.902 ( 0.000 2.557 -4.601) 5.264 2.953 ( 0.000 -3.316 0.565) 3.364 2.953 ( 0.000 3.316 0.565) 3.364 3.036 ( 0.000 -0.767 0.429) 0.879 3.036 ( 0.000 0.767 0.429) 0.879 3.122 ( 0.000 -2.627 2.577) 3.680 3.122 ( 0.000 2.627 2.577) 3.680 3.284 ( 0.000 -5.188 -1.085) 5.300 3.284 ( 0.000 5.188 -1.085) 5.300 3.360 ( 0.000 -4.233 8.132) 9.168 3.360 ( 0.000 4.233 8.132) 9.168 3.481 ( 0.000 -7.020 -3.189) 7.711 3.481 ( 0.000 7.020 -3.189) 7.711 3.516 ( 0.000 -0.284 -5.665) 5.672 3.516 ( 0.000 0.284 -5.665) 5.672 3.658 ( 0.000 -1.588 -1.743) 2.357 3.658 ( 0.000 1.588 -1.743) 2.357 3.793 ( 0.000 -1.629 0.819) 1.823 3.793 ( 0.000 1.629 0.819) 1.823 3.860 ( 0.000 -2.508 7.153) 7.580 3.860 ( 0.000 2.508 7.153) 7.580 3.878 ( 0.000 -1.713 -1.390) 2.206 3.878 ( 0.000 1.713 -1.390) 2.206 3.995 ( 0.000 -7.019 1.660) 7.213 3.995 ( 0.000 7.019 1.660) 7.213 4.131 ( 0.000 -1.184 -2.896) 3.129 4.131 ( 0.000 1.184 -2.896) 3.129 4.328 ( 0.000 -1.000 -1.068) 1.463 4.328 ( 0.000 1.000 -1.068) 1.463 4.470 ( 0.000 -2.149 -7.174) 7.489 4.470 ( 0.000 2.149 -7.174) 7.489 4.536 ( 0.000 -1.913 -2.145) 2.874 4.536 ( 0.000 1.913 -2.145) 2.874 4.641 ( 0.000 -2.116 -3.393) 3.999 4.641 ( 0.000 2.116 -3.393) 3.999 4.727 ( 0.000 -1.748 -1.563) 2.345 4.727 ( 0.000 1.748 -1.563) 2.345 4.877 ( 0.000 -1.441 2.410) 2.808 4.877 ( 0.000 1.441 2.410) 2.808 4.928 ( 0.000 -4.407 0.944) 4.507 4.928 ( 0.000 4.407 0.944) 4.507 5.104 ( 0.000 -6.350 3.511) 7.256 5.104 ( 0.000 6.350 3.511) 7.256 5.370 ( 0.000 -0.360 10.272) 10.279 5.370 ( 0.000 0.360 10.272) 10.279 5.448 ( 0.000 -5.357 -4.841) 7.220 5.448 ( 0.000 5.357 -4.841) 7.220 5.570 ( 0.000 -1.985 4.653) 5.059 5.570 ( 0.000 1.985 4.653) 5.059 5.779 ( 0.000 -0.892 2.299) 2.466 5.779 ( 0.000 0.892 2.299) 2.466 5.869 ( 0.000 -5.170 -2.611) 5.792 5.869 ( 0.000 5.170 -2.611) 5.792 5.986 ( 0.000 -2.423 2.935) 3.806 5.986 ( 0.000 2.423 2.935) 3.806 6.073 ( 0.000 -0.205 0.283) 0.349 6.073 ( 0.000 0.205 0.283) 0.349 6.306 ( 0.000 -6.265 0.287) 6.271 6.306 ( 0.000 6.265 0.287) 6.271 6.418 ( 0.000 -0.595 1.631) 1.736 6.418 ( 0.000 0.595 1.631) 1.736 6.629 ( 0.000 -2.098 -1.073) 2.356 6.629 ( 0.000 2.098 -1.073) 2.356 6.692 ( 0.000 -0.500 -2.108) 2.167 6.692 ( 0.000 0.500 -2.108) 2.167 6.887 ( 0.000 -3.973 -0.968) 4.089 6.887 ( 0.000 3.973 -0.968) 4.089 7.178 ( 0.000 -2.060 0.242) 2.074 7.178 ( 0.000 2.060 0.242) 2.074 7.317 ( 0.000 -7.324 2.889) 7.873 7.317 ( 0.000 7.324 2.889) 7.873 7.481 ( 0.000 -0.164 -3.387) 3.391 7.481 ( 0.000 0.164 -3.387) 3.391 7.510 ( 0.000 -1.206 3.550) 3.749 7.510 ( 0.000 1.206 3.550) 3.749 9.923 ( 0.000 -3.767 0.825) 3.856 9.923 ( 0.000 3.767 0.825) 3.856 10.021 ( 0.000 -0.170 -5.431) 5.434 10.021 ( 0.000 0.170 -5.431) 5.434 10.285 ( 0.000 -3.002 -0.469) 3.038 10.285 ( 0.000 3.002 -0.469) 3.038 10.409 ( 0.000 -2.332 4.161) 4.769 10.409 ( 0.000 2.332 4.161) 4.769 10.625 ( 0.000 -0.779 0.889) 1.181 10.625 ( 0.000 0.779 0.889) 1.181 10.753 ( 0.000 -0.170 5.138) 5.141 10.753 ( 0.000 0.170 5.138) 5.141 11.250 ( 0.000 -0.462 -0.518) 0.694 11.250 ( 0.000 0.462 -0.518) 0.694 11.305 ( 0.000 -1.420 -2.027) 2.475 11.305 ( 0.000 1.420 -2.027) 2.475 11.744 ( 0.000 -4.010 2.825) 4.906 11.744 ( 0.000 4.010 2.825) 4.906 11.892 ( 0.000 -7.926 2.192) 8.223 11.892 ( 0.000 7.926 2.192) 8.223 12.371 ( 0.000 -0.278 -3.742) 3.752 12.371 ( 0.000 0.278 -3.742) 3.752 12.769 ( 0.000 -9.659 -0.482) 9.671 12.769 ( 0.000 9.659 -0.482) 9.671 12.893 ( 0.000 -0.781 -0.004) 0.781 12.893 ( 0.000 0.781 -0.004) 0.781 13.004 ( 0.000 -4.126 -2.414) 4.780 13.004 ( 0.000 4.126 -2.414) 4.780 13.296 ( 0.000 -2.624 -1.564) 3.055 13.296 ( 0.000 2.624 -1.564) 3.055 13.413 ( 0.000 -3.475 1.988) 4.004 13.413 ( 0.000 3.475 1.988) 4.004 13.782 ( 0.000 -2.929 -1.934) 3.510 13.782 ( 0.000 2.929 -1.934) 3.510 14.039 ( 0.000 -10.407 -19.857) 22.419 14.039 ( 0.000 10.407 -19.857) 22.419 19.644 ( 0.000 -3.476 1.971) 3.996 19.644 ( 0.000 3.476 1.971) 3.996 20.099 ( 0.000 -12.863 8.932) 15.660 20.099 ( 0.000 12.863 8.932) 15.660 20.292 ( 0.000 -3.906 5.494) 6.741 20.292 ( 0.000 3.906 5.494) 6.741 20.707 ( 0.000 -3.823 1.480) 4.100 20.707 ( 0.000 3.823 1.480) 4.100 21.014 ( 0.000 -0.139 -1.562) 1.569 21.014 ( 0.000 0.139 -1.562) 1.569 21.240 ( 0.000 -4.801 0.659) 4.846 21.240 ( 0.000 4.801 0.659) 4.846 21.310 ( 0.000 -1.213 0.074) 1.215 21.310 ( 0.000 1.213 0.074) 1.215 21.416 ( 0.000 -0.399 7.086) 7.098 21.416 ( 0.000 0.399 7.086) 7.098 21.511 ( 0.000 -1.039 1.918) 2.181 21.511 ( 0.000 1.039 1.918) 2.181 21.794 ( 0.000 -8.583 2.531) 8.949 21.794 ( 0.000 8.583 2.531) 8.949 22.440 ( 0.000 -0.389 3.070) 3.095 22.440 ( 0.000 0.389 3.070) 3.095 22.876 ( 0.000 -5.692 -4.326) 7.149 22.876 ( 0.000 5.692 -4.326) 7.149 23.557 ( 0.000 -0.118 0.616) 0.627 23.557 ( 0.000 0.118 0.616) 0.627 23.683 ( 0.000 -2.330 -0.092) 2.331 23.683 ( 0.000 2.330 -0.092) 2.331 24.100 ( 0.000 -4.155 -0.445) 4.178 24.100 ( 0.000 4.155 -0.445) 4.178 24.399 ( 0.000 -5.852 -7.383) 9.421 24.399 ( 0.000 5.852 -7.383) 9.421 24.662 ( 0.000 -1.162 -1.301) 1.744 24.662 ( 0.000 1.162 -1.301) 1.744 24.682 ( 0.000 -6.337 2.445) 6.792 24.682 ( 0.000 6.337 2.445) 6.792 ======================= Grid point 51 (22/48) ======================= q-point: ( 0.17 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.523 -11.115 14.757) 18.482 0.848 ( 0.523 11.115 14.757) 18.482 1.021 ( 2.345 -9.009 21.072) 23.037 1.021 ( 2.345 9.009 21.072) 23.037 1.438 ( 4.117 -11.408 8.153) 14.614 1.438 ( 4.117 11.408 8.153) 14.614 1.571 ( -1.879 -1.977 8.505) 8.932 1.571 ( -1.879 1.977 8.505) 8.932 2.176 ( -0.987 -4.678 -1.225) 4.936 2.176 ( -0.987 4.678 -1.225) 4.936 2.247 ( -4.267 -3.545 -2.559) 6.109 2.247 ( -4.267 3.545 -2.559) 6.109 2.342 ( -3.149 -1.119 3.343) 4.727 2.342 ( -3.149 1.119 3.343) 4.727 2.443 ( -1.016 -3.229 0.860) 3.493 2.443 ( -1.016 3.229 0.860) 3.493 2.522 ( 2.140 -6.529 -2.503) 7.313 2.522 ( 2.140 6.529 -2.503) 7.313 2.724 ( -2.728 -1.483 -3.218) 4.472 2.724 ( -2.728 1.483 -3.218) 4.472 2.844 ( -5.245 -5.543 -4.785) 9.007 2.844 ( -5.245 5.543 -4.785) 9.007 2.954 ( -0.184 -2.727 1.174) 2.974 2.954 ( -0.184 2.727 1.174) 2.974 3.011 ( -1.462 -1.031 0.276) 1.810 3.011 ( -1.462 1.031 0.276) 1.810 3.072 ( -2.881 -2.312 1.653) 4.047 3.072 ( -2.881 2.312 1.653) 4.047 3.226 ( -2.147 -1.352 1.070) 2.753 3.226 ( -2.147 1.352 1.070) 2.753 3.341 ( -3.244 -6.390 1.848) 7.401 3.341 ( -3.244 6.390 1.848) 7.401 3.488 ( 5.002 -3.616 1.342) 6.316 3.488 ( 5.002 3.616 1.342) 6.316 3.621 ( 3.718 -3.734 -2.601) 5.877 3.621 ( 3.718 3.734 -2.601) 5.877 3.643 ( 0.151 -1.236 -1.672) 2.085 3.643 ( 0.151 1.236 -1.672) 2.085 3.788 ( -1.970 -6.293 4.242) 7.841 3.788 ( -1.970 6.293 4.242) 7.841 3.837 ( 0.760 -5.587 1.257) 5.777 3.837 ( 0.760 5.587 1.257) 5.777 3.896 ( 1.187 -1.957 0.355) 2.316 3.896 ( 1.187 1.957 0.355) 2.316 4.022 ( 0.097 -3.415 3.062) 4.588 4.022 ( 0.097 3.415 3.062) 4.588 4.206 ( -7.849 -2.233 -0.354) 8.168 4.206 ( -7.849 2.233 -0.354) 8.168 4.357 ( 11.654 -5.166 -6.053) 14.112 4.357 ( 11.654 5.166 -6.053) 14.112 4.480 ( 3.383 -0.773 -4.832) 5.949 4.480 ( 3.383 0.773 -4.832) 5.949 4.552 ( 2.472 -3.796 -2.960) 5.411 4.552 ( 2.472 3.796 -2.960) 5.411 4.657 ( 1.118 -1.029 -2.453) 2.886 4.657 ( 1.118 1.029 -2.453) 2.886 4.745 ( -1.902 -3.182 2.564) 4.507 4.745 ( -1.902 3.182 2.564) 4.507 4.853 ( 2.515 -1.696 -0.774) 3.131 4.853 ( 2.515 1.696 -0.774) 3.131 5.017 ( 7.211 -3.851 2.334) 8.502 5.017 ( 7.211 3.851 2.334) 8.502 5.191 ( 6.489 -1.625 2.906) 7.294 5.191 ( 6.489 1.625 2.906) 7.294 5.405 ( 2.372 -2.123 7.894) 8.512 5.405 ( 2.372 2.123 7.894) 8.512 5.440 ( -0.583 -6.667 -4.741) 8.202 5.440 ( -0.583 6.667 -4.741) 8.202 5.507 ( -3.834 -1.633 4.776) 6.338 5.507 ( -3.834 1.633 4.776) 6.338 5.788 ( -1.098 -5.022 1.573) 5.376 5.788 ( -1.098 5.022 1.573) 5.376 5.881 ( 1.459 -1.850 -1.254) 2.669 5.881 ( 1.459 1.850 -1.254) 2.669 5.965 ( -2.040 -0.810 2.579) 3.387 5.965 ( -2.040 0.810 2.579) 3.387 6.049 ( -1.384 -4.170 -0.184) 4.398 6.049 ( -1.384 4.170 -0.184) 4.398 6.263 ( -3.467 -5.061 1.866) 6.412 6.263 ( -3.467 5.061 1.866) 6.412 6.404 ( -0.993 -1.896 0.886) 2.317 6.404 ( -0.993 1.896 0.886) 2.317 6.575 ( -4.605 -2.803 -1.697) 5.652 6.575 ( -4.605 2.803 -1.697) 5.652 6.682 ( -0.995 -0.569 -1.237) 1.686 6.682 ( -0.995 0.569 -1.237) 1.686 6.854 ( -2.760 -3.010 -1.642) 4.401 6.854 ( -2.760 3.010 -1.642) 4.401 7.189 ( 1.139 -2.517 -0.603) 2.828 7.189 ( 1.139 2.517 -0.603) 2.828 7.302 ( -1.323 -4.562 2.892) 5.561 7.302 ( -1.323 4.562 2.892) 5.561 7.500 ( 1.715 -0.402 -2.919) 3.409 7.500 ( 1.715 0.402 -2.919) 3.409 7.518 ( 0.909 -0.634 1.363) 1.757 7.518 ( 0.909 0.634 1.363) 1.757 9.896 ( -2.053 -3.520 0.637) 4.124 9.896 ( -2.053 3.520 0.637) 4.124 10.032 ( 0.789 -1.241 -4.259) 4.506 10.032 ( 0.789 1.241 -4.259) 4.506 10.290 ( -0.796 -2.954 -0.161) 3.063 10.290 ( -0.796 2.954 -0.161) 3.063 10.356 ( -4.603 -3.562 5.003) 7.675 10.356 ( -4.603 3.562 5.003) 7.675 10.442 ( -12.218 -2.690 0.358) 12.516 10.442 ( -12.218 2.690 0.358) 12.516 10.627 ( -8.621 -3.552 0.893) 9.366 10.627 ( -8.621 3.552 0.893) 9.366 11.418 ( 12.491 -1.222 0.427) 12.558 11.418 ( 12.491 1.222 0.427) 12.558 11.486 ( 11.950 -5.893 -1.597) 13.420 11.486 ( 11.950 5.893 -1.597) 13.420 11.735 ( -0.690 -4.169 2.793) 5.065 11.735 ( -0.690 4.169 2.793) 5.065 11.896 ( 0.252 -7.832 1.494) 7.977 11.896 ( 0.252 7.832 1.494) 7.977 12.428 ( 5.137 -1.662 -3.113) 6.232 12.428 ( 5.137 1.662 -3.113) 6.232 12.758 ( -1.116 -9.072 -0.700) 9.167 12.758 ( -1.116 9.072 -0.700) 9.167 12.924 ( 2.799 -3.558 -1.089) 4.656 12.924 ( 2.799 3.558 -1.089) 4.656 13.017 ( 1.203 -4.035 -1.954) 4.642 13.017 ( 1.203 4.035 -1.954) 4.642 13.296 ( 0.137 -2.597 -1.453) 2.979 13.296 ( 0.137 2.597 -1.453) 2.979 13.418 ( 0.189 -3.654 2.541) 4.454 13.418 ( 0.189 3.654 2.541) 4.454 13.774 ( -0.506 -2.860 -3.151) 4.285 13.774 ( -0.506 2.860 -3.151) 4.285 13.993 ( -4.047 -11.044 -14.257) 18.483 13.993 ( -4.047 11.044 -14.257) 18.483 19.647 ( 0.511 -2.914 3.017) 4.226 19.647 ( 0.511 2.914 3.017) 4.226 19.976 ( -8.765 -8.624 12.739) 17.705 19.976 ( -8.765 8.624 12.739) 17.705 20.350 ( 4.894 -2.029 2.366) 5.802 20.350 ( 4.894 2.029 2.366) 5.802 20.707 ( -0.010 -5.923 1.177) 6.038 20.707 ( -0.010 5.923 1.177) 6.038 21.045 ( 1.916 -1.542 -2.316) 3.378 21.045 ( 1.916 1.542 -2.316) 3.378 21.204 ( -4.090 -1.700 -0.757) 4.494 21.204 ( -4.090 1.700 -0.757) 4.494 21.263 ( 0.667 -5.333 -0.473) 5.396 21.263 ( 0.667 5.333 -0.473) 5.396 21.495 ( 0.660 -0.967 0.928) 1.495 21.495 ( 0.660 0.967 0.928) 1.495 21.542 ( 3.604 -7.529 3.982) 9.249 21.542 ( 3.604 7.529 3.982) 9.249 21.801 ( -0.089 -7.142 4.756) 8.581 21.801 ( -0.089 7.142 4.756) 8.581 22.542 ( 8.736 -6.182 -0.745) 10.728 22.542 ( 8.736 6.182 -0.745) 10.728 22.865 ( -1.022 -6.317 -3.905) 7.497 22.865 ( -1.022 6.317 -3.905) 7.497 23.574 ( 1.610 -0.659 0.502) 1.810 23.574 ( 1.610 0.659 0.502) 1.810 23.677 ( -0.499 -2.288 -0.050) 2.343 23.677 ( -0.499 2.288 -0.050) 2.343 24.121 ( 1.972 -4.391 -0.560) 4.846 24.121 ( 1.972 4.391 -0.560) 4.846 24.366 ( -3.125 -7.496 -5.805) 9.983 24.366 ( -3.125 7.496 -5.805) 9.983 24.624 ( -0.464 -1.991 1.203) 2.372 24.624 ( -0.464 1.991 1.203) 2.372 24.734 ( 1.828 -5.076 -1.166) 5.520 24.734 ( 1.828 5.076 -1.166) 5.520 ======================= Grid point 53 (23/48) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 3.536 -7.939 13.069) 15.695 0.899 ( 3.536 7.939 13.069) 15.695 1.038 ( -1.688 -4.253 17.228) 17.825 1.038 ( -1.688 4.253 17.228) 17.825 1.449 ( 1.197 -3.041 2.711) 4.246 1.449 ( 1.197 3.041 2.711) 4.246 1.590 ( 1.411 -6.263 9.407) 11.389 1.590 ( 1.411 6.263 9.407) 11.389 2.119 ( -4.260 -3.460 0.110) 5.490 2.119 ( -4.260 3.460 0.110) 5.490 2.211 ( -0.378 -0.613 -4.135) 4.197 2.211 ( -0.378 0.613 -4.135) 4.197 2.332 ( 0.706 -5.515 0.655) 5.598 2.332 ( 0.706 5.515 0.655) 5.598 2.421 ( -3.264 -5.470 2.776) 6.949 2.421 ( -3.264 5.470 2.776) 6.949 2.547 ( 1.940 -0.691 -2.140) 2.969 2.547 ( 1.940 0.691 -2.140) 2.969 2.637 ( -0.693 -2.371 0.902) 2.630 2.637 ( -0.693 2.371 0.902) 2.630 2.755 ( -3.209 -3.501 -1.488) 4.976 2.755 ( -3.209 3.501 -1.488) 4.976 2.916 ( -3.924 -1.193 0.766) 4.172 2.916 ( -3.924 1.193 0.766) 4.172 2.991 ( -1.736 -4.309 0.788) 4.712 2.991 ( -1.736 4.309 0.788) 4.712 3.022 ( -1.809 -3.999 -1.734) 4.719 3.022 ( -1.809 3.999 -1.734) 4.719 3.236 ( 2.159 -2.856 -0.932) 3.700 3.236 ( 2.159 2.856 -0.932) 3.700 3.361 ( 6.121 -4.568 3.700) 8.487 3.361 ( 6.121 4.568 3.700) 8.487 3.501 ( -4.844 -3.822 -2.503) 6.658 3.501 ( -4.844 3.822 -2.503) 6.658 3.636 ( -0.099 -4.283 3.619) 5.609 3.636 ( -0.099 4.283 3.619) 5.609 3.699 ( 0.947 -3.299 0.700) 3.503 3.699 ( 0.947 3.299 0.700) 3.503 3.740 ( 0.412 -6.567 2.664) 7.099 3.740 ( 0.412 6.567 2.664) 7.099 3.862 ( -3.683 -1.404 4.350) 5.870 3.862 ( -3.683 1.404 4.350) 5.870 3.900 ( 1.800 -2.696 -2.512) 4.101 3.900 ( 1.800 2.696 -2.512) 4.101 3.977 ( -2.772 -1.481 -1.791) 3.617 3.977 ( -2.772 1.481 -1.791) 3.617 4.085 ( -3.032 -5.021 3.719) 6.945 4.085 ( -3.032 5.021 3.719) 6.945 4.456 ( 2.121 -1.582 -6.772) 7.271 4.456 ( 2.121 1.582 -6.772) 7.271 4.528 ( -0.245 -2.217 -0.896) 2.403 4.528 ( -0.245 2.217 -0.896) 2.403 4.664 ( 5.349 -4.627 3.736) 7.998 4.664 ( 5.349 4.627 3.736) 7.998 4.698 ( 4.408 -2.959 -4.584) 7.014 4.698 ( 4.408 2.959 -4.584) 7.014 4.763 ( 2.083 -2.014 6.422) 7.045 4.763 ( 2.083 2.014 6.422) 7.045 4.901 ( 2.110 -3.430 -2.605) 4.796 4.901 ( 2.110 3.430 -2.605) 4.796 5.144 ( 3.638 -0.743 2.070) 4.251 5.144 ( 3.638 0.743 2.070) 4.251 5.252 ( -2.529 -3.796 2.012) 4.986 5.252 ( -2.529 3.796 2.012) 4.986 5.408 ( 2.547 -5.597 -0.210) 6.152 5.408 ( 2.547 5.597 -0.210) 6.153 5.464 ( 0.843 -4.084 0.734) 4.234 5.464 ( 0.843 4.084 0.734) 4.234 5.528 ( 5.309 -1.988 3.673) 6.754 5.528 ( 5.309 1.988 3.673) 6.754 5.729 ( -3.712 -2.867 3.218) 5.688 5.729 ( -3.712 2.867 3.218) 5.688 5.909 ( -0.033 -5.129 0.114) 5.130 5.909 ( -0.033 5.129 0.114) 5.130 5.925 ( -0.421 -5.080 0.401) 5.113 5.925 ( -0.421 5.080 0.401) 5.113 6.054 ( 2.032 -2.838 -2.423) 4.249 6.054 ( 2.032 2.838 -2.423) 4.249 6.204 ( -2.502 -4.085 2.133) 5.244 6.204 ( -2.502 4.085 2.133) 5.244 6.384 ( -0.904 -4.826 -0.780) 4.972 6.384 ( -0.904 4.826 -0.780) 4.972 6.474 ( -5.085 -4.053 -1.345) 6.640 6.474 ( -5.085 4.053 -1.345) 6.640 6.673 ( 0.692 -0.740 -1.067) 1.472 6.673 ( 0.692 0.740 -1.067) 1.472 6.791 ( -3.590 -1.027 -2.477) 4.481 6.791 ( -3.590 1.027 -2.477) 4.481 7.217 ( 1.562 -3.826 -1.526) 4.405 7.217 ( 1.562 3.826 -1.526) 4.405 7.276 ( -1.200 -1.245 1.118) 2.059 7.276 ( -1.200 1.245 1.118) 2.059 7.534 ( 1.462 -0.454 -2.358) 2.812 7.534 ( 1.462 0.454 -2.358) 2.812 7.541 ( 1.127 -0.582 -0.688) 1.443 7.541 ( 1.127 0.582 -0.688) 1.443 9.871 ( 0.253 -2.573 1.388) 2.934 9.871 ( 0.253 2.573 1.388) 2.934 10.037 ( -1.927 -0.422 -1.428) 2.436 10.037 ( -1.927 0.422 -1.428) 2.436 10.149 ( -7.113 -2.423 2.180) 7.824 10.149 ( -7.113 2.423 2.180) 7.824 10.259 ( -6.950 -2.047 -0.363) 7.254 10.259 ( -6.950 2.047 -0.363) 7.254 10.353 ( 2.280 -3.464 0.047) 4.147 10.353 ( 2.280 3.464 0.047) 4.147 10.493 ( -5.077 -3.977 -0.635) 6.480 10.493 ( -5.077 3.977 -0.635) 6.480 11.611 ( 6.123 -4.346 0.829) 7.554 11.611 ( 6.123 4.346 0.829) 7.554 11.684 ( 6.101 -2.954 -0.156) 6.780 11.684 ( 6.101 2.954 -0.156) 6.780 11.729 ( 2.054 -1.265 1.686) 2.943 11.729 ( 2.054 1.265 1.686) 2.943 11.891 ( -1.138 -7.454 0.357) 7.548 11.891 ( -1.138 7.454 0.357) 7.548 12.543 ( 6.000 -4.881 -1.671) 7.913 12.543 ( 6.000 4.881 -1.671) 7.913 12.722 ( -2.608 -8.500 -0.846) 8.931 12.722 ( -2.608 8.500 -0.846) 8.931 12.985 ( 2.942 -4.603 -2.947) 6.207 12.985 ( 2.942 4.603 -2.947) 6.207 13.040 ( 0.640 -3.235 -2.015) 3.864 13.040 ( 0.640 3.235 -2.015) 3.864 13.313 ( 1.777 -3.110 -0.438) 3.609 13.313 ( 1.777 3.110 -0.438) 3.609 13.407 ( -1.513 -4.197 2.567) 5.147 13.407 ( -1.513 4.197 2.567) 5.147 13.777 ( 1.161 -3.768 -4.097) 5.686 13.777 ( 1.161 3.768 -4.097) 5.686 13.904 ( -4.538 -8.569 -6.718) 11.796 13.904 ( -4.538 8.569 -6.718) 11.796 19.671 ( 2.017 -2.080 5.426) 6.151 19.671 ( 2.017 2.080 5.426) 6.151 19.826 ( -6.109 -4.073 11.476) 13.624 19.826 ( -6.109 4.073 11.476) 13.624 20.470 ( 6.855 -3.633 0.698) 7.790 20.470 ( 6.855 3.633 0.698) 7.790 20.689 ( -2.431 -7.687 0.584) 8.083 20.689 ( -2.431 7.687 0.584) 8.083 21.073 ( 1.214 -3.323 -2.455) 4.306 21.073 ( 1.214 3.323 -2.455) 4.306 21.140 ( -2.339 -1.377 -2.708) 3.834 21.140 ( -2.339 1.377 -2.708) 3.834 21.300 ( 2.838 -4.916 0.411) 5.691 21.300 ( 2.838 4.916 0.411) 5.691 21.459 ( -3.718 -3.457 1.362) 5.256 21.459 ( -3.718 3.457 1.362) 5.256 21.609 ( 3.593 -2.298 0.938) 4.367 21.609 ( 3.593 2.298 0.938) 4.367 21.767 ( -3.253 -4.355 5.077) 7.438 21.767 ( -3.253 4.355 5.077) 7.438 22.704 ( 6.413 -10.177 -3.874) 12.637 22.704 ( 6.413 10.177 -3.874) 12.637 22.837 ( -1.801 -7.700 -3.481) 8.640 22.837 ( -1.801 7.700 -3.481) 8.640 23.612 ( 1.962 -1.556 0.213) 2.513 23.612 ( 1.962 1.556 0.213) 2.513 23.665 ( -0.776 -2.234 -0.010) 2.365 23.665 ( -0.776 2.234 -0.010) 2.365 24.170 ( 2.815 -5.263 -0.862) 6.030 24.170 ( 2.815 5.263 -0.862) 6.030 24.295 ( -3.632 -8.007 -3.042) 9.303 24.295 ( -3.632 8.007 -3.042) 9.303 24.647 ( 2.284 -2.826 -0.050) 3.634 24.647 ( 2.284 2.826 -0.050) 3.634 24.739 ( -1.175 -5.104 -1.670) 5.497 24.739 ( -1.175 5.104 -1.670) 5.497 ======================= Grid point 55 (24/48) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -3.557 -5.228 14.428) 15.753 0.969 ( 2.454 -5.067 14.428) 15.488 0.969 ( -2.454 5.067 14.428) 15.488 0.969 ( 3.557 5.228 14.428) 15.753 1.544 ( -5.948 -4.286 4.509) 8.606 1.544 ( 5.094 -4.002 4.509) 7.893 1.544 ( -5.094 4.002 4.509) 7.893 1.544 ( 5.948 4.286 4.509) 8.606 2.141 ( -4.900 -3.195 -0.336) 5.859 2.141 ( -1.095 -2.122 -0.336) 2.412 2.141 ( 1.095 2.122 -0.336) 2.412 2.141 ( 4.900 3.195 -0.336) 5.859 2.328 ( -1.197 -4.868 -2.486) 5.596 2.328 ( 0.644 -4.842 -2.486) 5.481 2.328 ( -0.644 4.842 -2.486) 5.481 2.328 ( 1.197 4.868 -2.486) 5.596 2.635 ( -4.276 -6.219 0.813) 7.591 2.635 ( 4.269 -6.218 0.813) 7.586 2.635 ( -4.269 6.218 0.813) 7.586 2.635 ( 4.276 6.219 0.813) 7.591 2.806 ( -8.035 -2.808 2.412) 8.847 2.806 ( -7.134 2.113 2.412) 7.821 2.806 ( 7.134 -2.113 2.412) 7.821 2.806 ( 8.035 2.808 2.412) 8.847 2.972 ( -1.772 -5.809 -0.673) 6.110 2.972 ( 1.599 -5.796 -0.673) 6.050 2.972 ( -1.599 5.796 -0.673) 6.050 2.972 ( 1.772 5.809 -0.673) 6.110 3.344 ( -7.636 -6.930 -0.056) 10.312 3.344 ( 4.472 -6.201 -0.056) 7.646 3.344 ( -4.472 6.201 -0.056) 7.646 3.344 ( 7.636 6.930 -0.056) 10.312 3.533 ( -6.695 -7.563 2.830) 10.490 3.533 ( -0.620 -6.789 2.830) 7.381 3.533 ( 0.620 6.789 2.830) 7.381 3.533 ( 6.695 7.563 2.830) 10.490 3.719 ( -3.399 -4.690 0.125) 5.793 3.719 ( 2.809 -4.591 0.125) 5.384 3.719 ( -2.809 4.591 0.125) 5.384 3.719 ( 3.399 4.690 0.125) 5.793 3.873 ( -3.827 -1.675 1.826) 4.559 3.873 ( -1.869 0.132 1.826) 2.616 3.873 ( 1.869 -0.132 1.826) 2.616 3.873 ( 3.827 1.675 1.826) 4.559 4.012 ( -3.756 -4.634 0.311) 5.973 4.012 ( 2.447 -4.409 0.311) 5.052 4.012 ( -2.447 4.409 0.311) 5.052 4.012 ( 3.756 4.634 0.311) 5.973 4.499 ( -0.661 -6.330 -3.244) 7.144 4.499 ( -0.040 -6.322 -3.244) 7.106 4.499 ( 0.040 6.322 -3.244) 7.106 4.499 ( 0.661 6.330 -3.244) 7.144 4.734 ( -2.407 -3.125 7.694) 8.646 4.734 ( 2.399 -3.124 7.694) 8.643 4.734 ( -2.399 3.124 7.694) 8.643 4.734 ( 2.407 3.125 7.694) 8.646 4.857 ( -7.005 -3.136 -4.818) 9.062 4.857 ( -5.737 2.408 -4.818) 7.869 4.857 ( 5.737 -2.408 -4.818) 7.869 4.857 ( 7.005 3.136 -4.818) 9.062 5.191 ( -1.898 -6.870 3.454) 7.920 5.191 ( 1.030 -6.823 3.454) 7.717 5.191 ( -1.030 6.823 3.454) 7.717 5.191 ( 1.898 6.870 3.454) 7.920 5.459 ( -1.494 -4.019 -0.316) 4.300 5.459 ( 1.416 -4.012 -0.316) 4.266 5.459 ( -1.416 4.012 -0.316) 4.266 5.459 ( 1.494 4.019 -0.316) 4.300 5.644 ( -4.518 -5.567 2.892) 7.731 5.644 ( 1.496 -5.142 2.892) 6.087 5.644 ( -1.496 5.142 2.892) 6.087 5.644 ( 4.518 5.567 2.892) 7.731 5.914 ( -1.023 -4.423 -0.375) 4.556 5.914 ( 0.975 -4.421 -0.375) 4.542 5.914 ( -0.975 4.421 -0.375) 4.542 5.914 ( 1.023 4.423 -0.375) 4.556 6.132 ( -4.943 -2.707 -1.158) 5.753 6.132 ( 2.002 -1.490 -1.158) 2.752 6.132 ( -2.002 1.490 -1.158) 2.752 6.132 ( 4.943 2.707 -1.158) 5.753 6.394 ( -2.387 -5.669 -0.507) 6.172 6.394 ( 2.243 -5.655 -0.507) 6.104 6.394 ( -2.243 5.655 -0.507) 6.104 6.394 ( 2.387 5.669 -0.507) 6.172 6.717 ( -3.453 -0.793 -2.040) 4.088 6.717 ( -3.336 0.656 -2.040) 3.965 6.717 ( 3.336 -0.656 -2.040) 3.965 6.717 ( 3.453 0.793 -2.040) 4.088 7.249 ( -1.349 -4.648 -0.998) 4.942 7.249 ( 1.151 -4.635 -0.998) 4.879 7.249 ( -1.151 4.635 -0.998) 4.879 7.249 ( 1.349 4.648 -0.998) 4.942 7.552 ( -0.152 -0.465 -1.691) 1.760 7.552 ( 0.112 -0.463 -1.691) 1.756 7.552 ( -0.112 0.463 -1.691) 1.756 7.552 ( 0.152 0.465 -1.691) 1.760 9.926 ( -5.410 -1.193 2.233) 5.973 9.926 ( -5.398 1.179 2.233) 5.959 9.926 ( 5.398 -1.179 2.233) 5.959 9.926 ( 5.410 1.193 2.233) 5.973 10.149 ( -3.915 -2.013 -1.195) 4.562 10.149 ( 0.857 -0.634 -1.195) 1.602 10.149 ( -0.857 0.634 -1.195) 1.602 10.149 ( 3.915 2.013 -1.195) 4.562 10.411 ( -3.449 -3.957 -0.469) 5.270 10.411 ( 3.402 -3.946 -0.469) 5.231 10.411 ( -3.402 3.946 -0.469) 5.231 10.411 ( 3.449 3.957 -0.469) 5.270 11.684 ( -2.015 -5.331 1.545) 5.905 11.684 ( 2.011 -5.331 1.545) 5.903 11.684 ( -2.011 5.331 1.545) 5.903 11.684 ( 2.015 5.331 1.545) 5.905 11.838 ( -4.459 -6.955 -0.289) 8.267 11.838 ( 4.364 -6.940 -0.289) 8.203 11.838 ( -4.364 6.940 -0.289) 8.203 11.838 ( 4.459 6.955 -0.289) 8.267 12.651 ( -4.505 -7.614 -0.924) 8.895 12.651 ( 4.230 -7.574 -0.924) 8.724 12.651 ( -4.230 7.574 -0.924) 8.724 12.651 ( 4.505 7.614 -0.924) 8.895 13.031 ( -1.064 -5.344 -3.074) 6.256 13.031 ( 0.793 -5.332 -3.074) 6.206 13.031 ( -0.793 5.332 -3.074) 6.206 13.031 ( 1.064 5.344 -3.074) 6.256 13.361 ( -2.791 -4.139 1.232) 5.142 13.361 ( 2.786 -4.138 1.232) 5.139 13.361 ( -2.786 4.138 1.232) 5.139 13.361 ( 2.791 4.139 1.232) 5.142 13.823 ( -2.983 -6.776 -3.982) 8.407 13.823 ( 2.374 -6.716 -3.982) 8.161 13.823 ( -2.374 6.716 -3.982) 8.161 13.823 ( 2.983 6.776 -3.982) 8.407 19.729 ( -3.684 -2.501 8.343) 9.457 19.729 ( 0.833 -1.742 8.343) 8.563 19.729 ( -0.833 1.742 8.343) 8.563 19.729 ( 3.684 2.501 8.343) 9.457 20.602 ( -6.035 -6.208 0.159) 8.660 20.602 ( 6.026 -6.206 0.159) 8.652 20.602 ( -6.026 6.206 0.159) 8.652 20.602 ( 6.035 6.208 0.159) 8.660 21.102 ( -1.696 -2.661 -2.376) 3.950 21.102 ( 1.695 -2.661 -2.376) 3.950 21.102 ( -1.695 2.661 -2.376) 3.950 21.102 ( 1.696 2.661 -2.376) 3.950 21.373 ( -4.386 -3.863 0.609) 5.877 21.373 ( 4.373 -3.860 0.609) 5.864 21.373 ( -4.373 3.860 0.609) 5.864 21.373 ( 4.386 3.863 0.609) 5.877 21.688 ( -3.240 -4.273 2.702) 6.005 21.688 ( 0.190 -3.955 2.702) 4.794 21.688 ( -0.190 3.955 2.702) 4.794 21.688 ( 3.240 4.273 2.702) 6.005 22.792 ( -2.893 -9.592 -3.799) 10.715 22.792 ( 2.822 -9.587 -3.799) 10.691 22.792 ( -2.822 9.587 -3.799) 10.691 22.792 ( 2.893 9.592 -3.799) 10.715 23.645 ( -1.296 -2.168 0.026) 2.526 23.645 ( 1.203 -2.155 0.026) 2.468 23.645 ( -1.203 2.155 0.026) 2.468 23.645 ( 1.296 2.168 0.026) 2.526 24.229 ( -3.079 -6.791 -1.525) 7.610 24.229 ( 3.044 -6.787 -1.525) 7.593 24.229 ( -3.044 6.787 -1.525) 7.593 24.229 ( 3.079 6.791 -1.525) 7.610 24.698 ( -2.528 -4.127 -1.117) 4.967 24.698 ( 2.297 -4.093 -1.117) 4.825 24.698 ( -2.297 4.093 -1.117) 4.825 24.698 ( 2.528 4.127 -1.117) 4.967 ======================= Grid point 70 (25/48) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.000 0.000 18.204) 18.204 1.029 ( 0.000 0.000 24.726) 24.726 1.516 ( 0.000 0.000 16.643) 16.643 1.580 ( 0.000 0.000 1.084) 1.084 1.654 ( 0.000 0.000 6.219) 6.219 1.745 ( 0.000 0.000 -7.087) 7.087 1.812 ( 0.000 0.000 9.563) 9.563 1.826 ( 0.000 0.000 29.163) 29.163 1.931 ( 0.000 0.000 12.150) 12.150 1.984 ( 0.000 0.000 -1.706) 1.706 2.087 ( 0.000 0.000 3.557) 3.557 2.193 ( 0.000 0.000 -3.714) 3.714 2.374 ( 0.000 0.000 4.687) 4.687 2.428 ( 0.000 0.000 4.703) 4.703 2.484 ( 0.000 0.000 -0.916) 0.916 2.540 ( 0.000 0.000 -9.625) 9.625 2.557 ( 0.000 0.000 4.306) 4.306 2.578 ( 0.000 0.000 -1.178) 1.178 2.761 ( 0.000 0.000 2.404) 2.404 2.839 ( 0.000 0.000 -2.815) 2.815 2.858 ( 0.000 0.000 -1.050) 1.050 2.910 ( 0.000 0.000 -0.320) 0.320 2.976 ( 0.000 0.000 0.955) 0.955 2.999 ( 0.000 0.000 -2.540) 2.540 3.009 ( 0.000 0.000 0.074) 0.074 3.050 ( 0.000 0.000 0.209) 0.209 3.103 ( 0.000 0.000 8.277) 8.277 3.160 ( 0.000 0.000 0.149) 0.149 3.187 ( 0.000 0.000 -1.146) 1.146 3.257 ( 0.000 0.000 -2.146) 2.146 3.328 ( 0.000 0.000 3.701) 3.701 3.356 ( 0.000 0.000 -6.002) 6.002 3.391 ( 0.000 0.000 4.191) 4.191 3.501 ( 0.000 0.000 -1.261) 1.261 3.564 ( 0.000 0.000 -10.680) 10.680 3.589 ( 0.000 0.000 -0.610) 0.610 3.655 ( 0.000 0.000 5.122) 5.122 3.712 ( 0.000 0.000 4.309) 4.309 3.766 ( 0.000 0.000 1.998) 1.998 3.786 ( 0.000 0.000 -3.793) 3.793 3.803 ( 0.000 0.000 0.740) 0.740 3.862 ( 0.000 0.000 7.803) 7.803 3.892 ( 0.000 0.000 1.418) 1.418 3.952 ( 0.000 0.000 7.704) 7.704 4.041 ( 0.000 0.000 -3.031) 3.031 4.056 ( 0.000 0.000 -4.550) 4.550 4.096 ( 0.000 0.000 -13.584) 13.584 4.149 ( 0.000 0.000 8.636) 8.636 4.257 ( 0.000 0.000 -0.679) 0.679 4.271 ( 0.000 0.000 0.109) 0.109 4.287 ( 0.000 0.000 -8.991) 8.991 4.321 ( 0.000 0.000 -14.740) 14.740 4.476 ( 0.000 0.000 0.958) 0.958 4.516 ( 0.000 0.000 -3.019) 3.019 4.522 ( 0.000 0.000 -6.561) 6.561 4.687 ( 0.000 0.000 7.770) 7.770 4.747 ( 0.000 0.000 1.526) 1.526 4.769 ( 0.000 0.000 0.189) 0.189 4.881 ( 0.000 0.000 1.198) 1.198 4.917 ( 0.000 0.000 1.826) 1.826 4.962 ( 0.000 0.000 8.061) 8.061 5.103 ( 0.000 0.000 -3.761) 3.761 5.103 ( 0.000 0.000 3.950) 3.950 5.266 ( 0.000 0.000 0.517) 0.517 5.335 ( 0.000 0.000 -1.943) 1.943 5.403 ( 0.000 0.000 3.901) 3.901 5.405 ( 0.000 0.000 8.298) 8.298 5.568 ( 0.000 0.000 -0.598) 0.598 5.582 ( 0.000 0.000 2.811) 2.811 5.719 ( 0.000 0.000 0.400) 0.400 5.736 ( 0.000 0.000 5.517) 5.517 5.802 ( 0.000 0.000 7.848) 7.848 5.828 ( 0.000 0.000 12.019) 12.019 5.885 ( 0.000 0.000 1.903) 1.903 6.022 ( 0.000 0.000 1.920) 1.920 6.096 ( 0.000 0.000 -4.232) 4.232 6.164 ( 0.000 0.000 -2.241) 2.241 6.193 ( 0.000 0.000 3.468) 3.468 6.255 ( 0.000 0.000 3.456) 3.456 6.268 ( 0.000 0.000 -3.948) 3.948 6.485 ( 0.000 0.000 -2.756) 2.756 6.490 ( 0.000 0.000 -4.656) 4.656 6.520 ( 0.000 0.000 -1.030) 1.030 6.555 ( 0.000 0.000 -0.277) 0.277 6.654 ( 0.000 0.000 1.020) 1.020 6.661 ( 0.000 0.000 -1.640) 1.640 6.753 ( 0.000 0.000 -1.945) 1.945 6.919 ( 0.000 0.000 -3.131) 3.131 7.099 ( 0.000 0.000 1.673) 1.673 7.251 ( 0.000 0.000 1.138) 1.138 7.252 ( 0.000 0.000 -1.245) 1.245 7.272 ( 0.000 0.000 -5.774) 5.774 7.398 ( 0.000 0.000 -4.194) 4.194 7.420 ( 0.000 0.000 -2.107) 2.107 7.552 ( 0.000 0.000 2.555) 2.555 7.641 ( 0.000 0.000 -0.580) 0.580 9.854 ( 0.000 0.000 -0.128) 0.128 9.887 ( 0.000 0.000 -4.712) 4.712 9.922 ( 0.000 0.000 -2.647) 2.647 10.042 ( 0.000 0.000 -7.338) 7.338 10.239 ( 0.000 0.000 0.638) 0.638 10.350 ( 0.000 0.000 -1.069) 1.069 10.471 ( 0.000 0.000 -3.053) 3.053 10.478 ( 0.000 0.000 -0.769) 0.769 10.615 ( 0.000 0.000 1.250) 1.250 10.637 ( 0.000 0.000 0.492) 0.492 10.917 ( 0.000 0.000 6.517) 6.517 10.986 ( 0.000 0.000 3.737) 3.737 11.163 ( 0.000 0.000 1.435) 1.435 11.227 ( 0.000 0.000 -0.558) 0.558 11.284 ( 0.000 0.000 0.098) 0.098 11.296 ( 0.000 0.000 -1.650) 1.650 11.724 ( 0.000 0.000 3.439) 3.439 11.736 ( 0.000 0.000 1.679) 1.679 11.948 ( 0.000 0.000 4.278) 4.278 12.168 ( 0.000 0.000 0.409) 0.409 12.174 ( 0.000 0.000 -0.234) 0.234 12.233 ( 0.000 0.000 -3.397) 3.397 12.561 ( 0.000 0.000 2.688) 2.688 12.806 ( 0.000 0.000 -4.774) 4.774 12.874 ( 0.000 0.000 -0.053) 0.053 12.899 ( 0.000 0.000 -1.058) 1.058 13.060 ( 0.000 0.000 -1.166) 1.166 13.115 ( 0.000 0.000 -2.461) 2.461 13.122 ( 0.000 0.000 -2.155) 2.155 13.196 ( 0.000 0.000 -5.033) 5.033 13.411 ( 0.000 0.000 3.996) 3.996 13.420 ( 0.000 0.000 2.635) 2.635 13.563 ( 0.000 0.000 1.794) 1.794 13.667 ( 0.000 0.000 -2.688) 2.688 13.766 ( 0.000 0.000 -4.060) 4.060 13.882 ( 0.000 0.000 -15.239) 15.239 19.721 ( 0.000 0.000 9.160) 9.160 19.848 ( 0.000 0.000 4.133) 4.133 19.937 ( 0.000 0.000 7.316) 7.316 20.206 ( 0.000 0.000 -3.732) 3.732 20.275 ( 0.000 0.000 1.093) 1.093 20.522 ( 0.000 0.000 -4.024) 4.024 20.796 ( 0.000 0.000 -1.003) 1.003 20.932 ( 0.000 0.000 -7.684) 7.684 20.959 ( 0.000 0.000 -0.702) 0.702 21.062 ( 0.000 0.000 1.512) 1.512 21.082 ( 0.000 0.000 -1.867) 1.867 21.263 ( 0.000 0.000 -4.134) 4.134 21.276 ( 0.000 0.000 -0.399) 0.399 21.294 ( 0.000 0.000 -0.670) 0.670 21.515 ( 0.000 0.000 1.802) 1.802 21.569 ( 0.000 0.000 2.823) 2.823 21.661 ( 0.000 0.000 11.126) 11.126 21.667 ( 0.000 0.000 12.014) 12.014 22.069 ( 0.000 0.000 -1.864) 1.864 22.156 ( 0.000 0.000 12.452) 12.452 22.206 ( 0.000 0.000 10.744) 10.744 22.345 ( 0.000 0.000 -1.351) 1.351 22.593 ( 0.000 0.000 -10.359) 10.359 22.989 ( 0.000 0.000 -11.149) 11.149 23.569 ( 0.000 0.000 0.735) 0.735 23.577 ( 0.000 0.000 0.872) 0.872 23.651 ( 0.000 0.000 0.600) 0.600 23.743 ( 0.000 0.000 -1.497) 1.497 23.988 ( 0.000 0.000 2.264) 2.264 24.091 ( 0.000 0.000 3.070) 3.070 24.164 ( 0.000 0.000 -1.371) 1.371 24.441 ( 0.000 0.000 -7.213) 7.213 24.531 ( 0.000 0.000 2.073) 2.073 24.616 ( 0.000 0.000 0.172) 0.172 24.646 ( 0.000 0.000 -2.213) 2.213 24.828 ( 0.000 0.000 -4.430) 4.430 ======================= Grid point 71 (26/48) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 6.643 0.000 17.250) 18.485 1.121 ( 8.221 0.000 22.409) 23.869 1.402 ( -7.389 0.000 14.671) 16.427 1.514 ( -4.785 0.000 4.973) 6.901 1.610 ( -4.728 0.000 6.297) 7.874 1.679 ( -7.913 0.000 8.390) 11.533 1.824 ( 3.865 0.000 10.747) 11.421 1.909 ( -1.246 0.000 -0.521) 1.351 1.915 ( 4.585 0.000 18.419) 18.981 2.092 ( 6.407 0.000 -0.655) 6.440 2.100 ( 1.468 0.000 -0.654) 1.607 2.147 ( -4.065 0.000 -3.496) 5.362 2.369 ( -0.780 0.000 2.844) 2.949 2.445 ( 1.509 0.000 3.430) 3.747 2.454 ( -0.529 0.000 -0.469) 0.707 2.494 ( -3.950 0.000 -6.969) 8.011 2.513 ( -3.023 0.000 2.419) 3.872 2.591 ( -9.867 0.000 -3.581) 10.497 2.633 ( -1.020 0.000 2.710) 2.896 2.697 ( -6.053 0.000 4.614) 7.611 2.829 ( -3.374 0.000 1.355) 3.636 2.868 ( -7.398 0.000 -0.637) 7.425 2.924 ( 0.303 0.000 -0.843) 0.896 2.956 ( -4.236 0.000 1.679) 4.557 2.963 ( -5.071 0.000 0.422) 5.088 3.097 ( -0.137 0.000 -0.237) 0.273 3.103 ( -2.516 0.000 6.490) 6.961 3.128 ( -2.394 0.000 -0.597) 2.468 3.190 ( 0.713 0.000 -1.689) 1.834 3.277 ( 0.665 0.000 -2.137) 2.238 3.333 ( -0.643 0.000 -5.329) 5.368 3.350 ( 6.817 0.000 2.019) 7.110 3.405 ( -5.494 0.000 -1.632) 5.731 3.518 ( 4.937 0.000 -0.144) 4.939 3.538 ( 1.604 0.000 0.670) 1.739 3.582 ( -0.259 0.000 -1.696) 1.715 3.671 ( -0.522 0.000 6.644) 6.664 3.775 ( 3.505 0.000 -0.716) 3.577 3.791 ( 0.067 0.000 2.313) 2.314 3.814 ( 0.996 0.000 1.397) 1.715 3.830 ( 1.396 0.000 3.003) 3.311 3.891 ( 0.002 0.000 -6.076) 6.076 3.913 ( 0.135 0.000 -0.302) 0.330 4.004 ( 4.048 0.000 4.222) 5.849 4.060 ( -0.092 0.000 -3.200) 3.201 4.092 ( 5.966 0.000 -2.267) 6.382 4.186 ( 11.964 0.000 -3.727) 12.531 4.198 ( 2.823 0.000 7.981) 8.465 4.233 ( -0.149 0.000 1.091) 1.102 4.248 ( -4.969 0.000 -4.192) 6.501 4.291 ( 2.009 0.000 -6.426) 6.733 4.388 ( 7.932 0.000 -6.431) 10.211 4.513 ( 1.551 0.000 -7.119) 7.286 4.540 ( 5.588 0.000 1.208) 5.717 4.584 ( 3.398 0.000 -4.946) 6.001 4.731 ( 3.749 0.000 5.420) 6.590 4.763 ( 2.200 0.000 1.318) 2.564 4.866 ( 1.847 0.000 4.057) 4.458 4.870 ( 6.957 0.000 0.560) 6.980 4.946 ( 0.081 0.000 3.098) 3.099 4.965 ( 0.754 0.000 6.519) 6.562 5.031 ( -1.686 0.000 1.757) 2.436 5.233 ( 4.419 0.000 -1.414) 4.640 5.313 ( 5.367 0.000 0.043) 5.367 5.358 ( 2.142 0.000 -2.862) 3.575 5.365 ( -0.505 0.000 6.208) 6.228 5.421 ( 1.471 0.000 2.754) 3.122 5.578 ( 0.582 0.000 3.443) 3.492 5.587 ( 0.660 0.000 3.188) 3.256 5.713 ( -1.776 0.000 5.753) 6.021 5.716 ( 0.206 0.000 -2.030) 2.040 5.793 ( -1.889 0.000 7.300) 7.540 5.816 ( -1.173 0.000 9.104) 9.179 5.902 ( 1.616 0.000 2.802) 3.234 6.025 ( -0.982 0.000 1.380) 1.694 6.084 ( -1.306 0.000 -2.486) 2.808 6.105 ( -2.667 0.000 -2.483) 3.644 6.166 ( -8.089 0.000 2.639) 8.509 6.187 ( -0.653 0.000 3.010) 3.080 6.330 ( 3.956 0.000 -5.606) 6.861 6.429 ( -4.757 0.000 -1.925) 5.132 6.445 ( -4.180 0.000 -1.756) 4.534 6.493 ( -4.617 0.000 -1.007) 4.726 6.540 ( 0.221 0.000 -3.756) 3.762 6.607 ( -3.031 0.000 -2.051) 3.659 6.644 ( -2.461 0.000 0.212) 2.470 6.721 ( -3.015 0.000 -1.166) 3.233 6.889 ( -3.096 0.000 -1.642) 3.505 7.081 ( -1.329 0.000 1.147) 1.755 7.236 ( 0.020 0.000 -1.013) 1.013 7.245 ( -2.591 0.000 -4.981) 5.614 7.282 ( 1.644 0.000 -0.738) 1.802 7.419 ( 1.698 0.000 -4.356) 4.675 7.438 ( 1.532 0.000 -2.780) 3.174 7.550 ( -0.186 0.000 1.961) 1.970 7.607 ( -2.230 0.000 1.022) 2.453 9.839 ( -0.780 0.000 0.471) 0.911 9.891 ( 0.554 0.000 -3.692) 3.733 9.944 ( 1.774 0.000 -2.522) 3.083 10.044 ( 0.359 0.000 -5.973) 5.983 10.243 ( 0.210 0.000 0.800) 0.827 10.352 ( -0.309 0.000 -0.770) 0.830 10.393 ( -4.392 0.000 1.732) 4.721 10.411 ( -14.647 0.000 1.615) 14.736 10.486 ( -12.541 0.000 -0.302) 12.544 10.490 ( -1.740 0.000 -2.776) 3.276 10.600 ( -17.515 0.000 5.752) 18.436 10.772 ( -13.307 0.000 0.078) 13.307 11.318 ( 10.556 0.000 1.562) 10.671 11.372 ( 11.073 0.000 -0.381) 11.080 11.494 ( 14.595 0.000 1.753) 14.700 11.615 ( 15.869 0.000 -3.447) 16.239 11.699 ( -1.504 0.000 3.568) 3.872 11.756 ( 1.004 0.000 1.185) 1.553 11.944 ( 0.043 0.000 3.992) 3.992 12.187 ( 0.576 0.000 -1.070) 1.215 12.205 ( 3.589 0.000 0.697) 3.657 12.290 ( 5.159 0.000 -3.269) 6.107 12.562 ( 0.275 0.000 2.336) 2.352 12.802 ( -0.487 0.000 -4.856) 4.881 12.869 ( -0.074 0.000 -0.420) 0.426 12.909 ( 0.614 0.000 -2.135) 2.221 13.110 ( -0.369 0.000 -2.362) 2.390 13.142 ( 4.652 0.000 -2.242) 5.164 13.165 ( 6.411 0.000 -1.928) 6.695 13.184 ( -1.195 0.000 -4.249) 4.414 13.408 ( -1.247 0.000 2.838) 3.100 13.434 ( 2.290 0.000 2.860) 3.663 13.563 ( 0.529 0.000 1.920) 1.991 13.658 ( -0.982 0.000 -2.498) 2.684 13.774 ( 0.216 0.000 -4.677) 4.682 13.887 ( 0.298 0.000 -14.024) 14.027 19.741 ( 1.937 0.000 9.336) 9.535 19.852 ( 0.992 0.000 6.335) 6.413 19.934 ( -0.441 0.000 8.201) 8.213 20.261 ( 4.226 0.000 -3.072) 5.224 20.289 ( 1.563 0.000 -0.113) 1.567 20.505 ( -1.651 0.000 -4.018) 4.344 20.834 ( 3.404 0.000 -1.704) 3.806 20.851 ( -16.527 0.000 12.494) 20.718 20.937 ( 0.766 0.000 -6.534) 6.578 21.047 ( -1.984 0.000 1.506) 2.491 21.094 ( 3.025 0.000 1.317) 3.299 21.117 ( -0.893 0.000 -0.056) 0.895 21.259 ( -5.092 0.000 -1.716) 5.373 21.273 ( 1.072 0.000 -3.573) 3.730 21.469 ( 0.283 0.000 0.644) 0.703 21.556 ( -2.526 0.000 1.325) 2.852 21.611 ( -4.398 0.000 8.742) 9.786 21.729 ( 3.388 0.000 8.154) 8.830 21.993 ( -3.713 0.000 1.199) 3.902 22.039 ( -10.388 0.000 7.481) 12.801 22.397 ( 4.251 0.000 0.476) 4.278 22.497 ( 16.805 0.000 -3.118) 17.091 22.609 ( 0.841 0.000 -6.642) 6.695 22.974 ( -1.437 0.000 -10.273) 10.373 23.579 ( 0.975 0.000 0.821) 1.275 23.610 ( 2.596 0.000 -0.236) 2.606 23.647 ( -0.300 0.000 0.444) 0.536 23.739 ( -0.403 0.000 -1.471) 1.525 24.001 ( 1.162 0.000 2.037) 2.345 24.086 ( -0.453 0.000 2.708) 2.746 24.183 ( 1.827 0.000 -1.425) 2.317 24.418 ( -2.183 0.000 -6.488) 6.846 24.543 ( 1.153 0.000 1.294) 1.733 24.605 ( -0.321 0.000 -0.842) 0.901 24.665 ( 1.349 0.000 -1.284) 1.862 24.835 ( 0.094 0.000 -5.014) 5.015 ======================= Grid point 72 (27/48) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 11.087 0.000 16.075) 19.528 1.281 ( 5.541 0.000 19.006) 19.797 1.342 ( 2.449 0.000 13.242) 13.467 1.430 ( -3.823 0.000 8.967) 9.749 1.439 ( -11.262 0.000 10.797) 15.601 1.591 ( 1.736 0.000 6.675) 6.897 1.785 ( -7.543 0.000 12.630) 14.711 1.913 ( -4.834 0.000 9.712) 10.849 1.967 ( 5.778 0.000 -6.166) 8.450 2.050 ( -3.534 0.000 -9.152) 9.811 2.131 ( 0.591 0.000 -5.336) 5.369 2.187 ( 0.538 0.000 1.702) 1.785 2.312 ( -4.858 0.000 -2.158) 5.316 2.349 ( -5.976 0.000 -5.750) 8.293 2.379 ( -5.459 0.000 1.724) 5.724 2.456 ( -0.222 0.000 -0.644) 0.681 2.503 ( 2.378 0.000 4.100) 4.739 2.549 ( 0.402 0.000 2.237) 2.273 2.613 ( 0.694 0.000 2.857) 2.941 2.640 ( -5.369 0.000 0.329) 5.379 2.766 ( -3.607 0.000 2.111) 4.179 2.772 ( 3.313 0.000 5.105) 6.086 2.875 ( -4.509 0.000 1.427) 4.729 2.893 ( 1.788 0.000 1.519) 2.346 2.928 ( 0.122 0.000 0.732) 0.743 2.989 ( -3.543 0.000 -2.034) 4.085 3.073 ( -1.437 0.000 -3.157) 3.469 3.128 ( -3.415 0.000 2.486) 4.224 3.207 ( 0.175 0.000 -0.975) 0.990 3.288 ( -0.716 0.000 -4.012) 4.076 3.296 ( 0.698 0.000 2.517) 2.612 3.377 ( 2.076 0.000 -4.554) 5.004 3.446 ( 2.748 0.000 2.867) 3.971 3.494 ( -3.214 0.000 5.727) 6.568 3.585 ( -1.266 0.000 -1.590) 2.032 3.617 ( 2.428 0.000 0.907) 2.592 3.698 ( -5.574 0.000 -11.650) 12.915 3.719 ( 1.549 0.000 -0.369) 1.592 3.776 ( -2.355 0.000 3.087) 3.883 3.834 ( 1.789 0.000 0.130) 1.793 3.873 ( 5.433 0.000 5.879) 8.005 3.880 ( -2.159 0.000 1.357) 2.550 3.964 ( 4.314 0.000 0.459) 4.338 4.015 ( -5.182 0.000 -3.441) 6.221 4.079 ( 3.340 0.000 6.141) 6.991 4.138 ( 0.232 0.000 -3.739) 3.746 4.163 ( -1.080 0.000 6.910) 6.994 4.245 ( 0.554 0.000 1.637) 1.728 4.278 ( 0.705 0.000 12.645) 12.664 4.298 ( -1.180 0.000 -5.171) 5.304 4.459 ( 12.779 0.000 -0.595) 12.793 4.571 ( 8.024 0.000 -0.482) 8.039 4.587 ( 5.538 0.000 -4.262) 6.988 4.666 ( 4.546 0.000 -1.074) 4.671 4.680 ( 8.048 0.000 -1.964) 8.284 4.782 ( 1.982 0.000 3.304) 3.853 4.807 ( 1.504 0.000 1.711) 2.278 4.909 ( -1.292 0.000 6.198) 6.331 4.935 ( 1.680 0.000 6.609) 6.820 4.968 ( 4.008 0.000 3.279) 5.178 5.017 ( -1.922 0.000 0.123) 1.926 5.027 ( 4.463 0.000 0.245) 4.470 5.257 ( 1.786 0.000 -1.129) 2.113 5.368 ( 0.094 0.000 2.654) 2.656 5.399 ( 1.397 0.000 -4.124) 4.355 5.439 ( -0.148 0.000 -1.583) 1.590 5.480 ( 6.578 0.000 -2.823) 7.158 5.609 ( 1.360 0.000 4.895) 5.081 5.647 ( 7.467 0.000 4.767) 8.859 5.679 ( -1.979 0.000 5.372) 5.725 5.719 ( -4.472 0.000 2.912) 5.337 5.732 ( 1.362 0.000 0.793) 1.576 5.797 ( 0.108 0.000 4.899) 4.901 5.949 ( 1.440 0.000 1.616) 2.165 5.950 ( -4.353 0.000 0.250) 4.360 5.980 ( -6.775 0.000 0.767) 6.818 6.055 ( -1.696 0.000 2.966) 3.417 6.097 ( -1.628 0.000 -4.484) 4.771 6.177 ( -0.363 0.000 0.913) 0.982 6.294 ( -4.525 0.000 0.080) 4.526 6.318 ( -7.951 0.000 0.278) 7.956 6.373 ( -4.780 0.000 -1.180) 4.923 6.453 ( 3.733 0.000 -6.051) 7.110 6.543 ( -0.260 0.000 -7.791) 7.796 6.560 ( -1.858 0.000 -2.396) 3.031 6.592 ( -2.075 0.000 -0.377) 2.109 6.662 ( -1.578 0.000 -0.246) 1.597 6.802 ( -5.328 0.000 -0.514) 5.353 7.069 ( 0.466 0.000 -0.638) 0.790 7.178 ( -3.865 0.000 -3.568) 5.260 7.255 ( 1.765 0.000 -2.458) 3.026 7.305 ( 0.332 0.000 -2.101) 2.127 7.454 ( 1.562 0.000 -4.492) 4.756 7.466 ( 1.050 0.000 -3.546) 3.698 7.550 ( 0.307 0.000 1.013) 1.058 7.578 ( -0.942 0.000 1.067) 1.423 9.848 ( 2.093 0.000 1.584) 2.625 9.923 ( 3.032 0.000 -0.817) 3.140 9.989 ( 2.943 0.000 -2.105) 3.618 10.065 ( 1.880 0.000 -2.684) 3.277 10.135 ( -12.291 0.000 1.827) 12.426 10.204 ( -6.685 0.000 2.200) 7.038 10.246 ( -10.623 0.000 -1.020) 10.672 10.263 ( -8.384 0.000 1.609) 8.537 10.323 ( -0.355 0.000 1.773) 1.808 10.413 ( -3.169 0.000 -1.870) 3.679 10.437 ( -0.457 0.000 -0.410) 0.614 10.579 ( -6.608 0.000 -3.244) 7.361 11.485 ( 6.203 0.000 2.245) 6.597 11.560 ( 5.888 0.000 -0.299) 5.895 11.679 ( 0.410 0.000 3.287) 3.312 11.720 ( 7.860 0.000 2.007) 8.112 11.765 ( -0.381 0.000 0.268) 0.466 11.814 ( 3.851 0.000 -0.021) 3.851 11.984 ( 4.925 0.000 0.898) 5.006 12.171 ( -2.328 0.000 -1.694) 2.879 12.294 ( 4.832 0.000 1.346) 5.016 12.385 ( 2.671 0.000 -1.142) 2.905 12.595 ( 3.929 0.000 -0.465) 3.957 12.777 ( -2.337 0.000 -4.858) 5.391 12.882 ( 1.247 0.000 -1.015) 1.609 12.916 ( 0.038 0.000 -2.318) 2.318 13.105 ( 0.036 0.000 -2.141) 2.142 13.152 ( -1.917 0.000 -2.911) 3.486 13.208 ( 3.162 0.000 -0.457) 3.195 13.299 ( 2.073 0.000 -2.661) 3.373 13.408 ( 3.897 0.000 1.779) 4.284 13.495 ( 3.628 0.000 0.769) 3.709 13.573 ( -0.520 0.000 2.059) 2.124 13.626 ( -2.304 0.000 -1.909) 2.992 13.779 ( 1.040 0.000 -6.532) 6.614 13.876 ( -1.673 0.000 -9.808) 9.950 19.792 ( 3.084 0.000 9.764) 10.239 19.909 ( 5.052 0.000 10.368) 11.534 19.910 ( -2.092 0.000 9.609) 9.834 20.252 ( -8.065 0.000 9.377) 12.369 20.337 ( 3.057 0.000 -2.313) 3.833 20.461 ( -2.686 0.000 -4.064) 4.872 20.643 ( 1.427 0.000 7.900) 8.028 20.903 ( 3.137 0.000 -2.793) 4.200 20.962 ( 1.094 0.000 -5.010) 5.128 20.999 ( -7.074 0.000 2.433) 7.481 21.129 ( 0.855 0.000 -1.999) 2.175 21.152 ( -2.669 0.000 -3.979) 4.791 21.178 ( 5.520 0.000 1.720) 5.782 21.309 ( 2.234 0.000 -1.770) 2.850 21.497 ( 1.985 0.000 -0.265) 2.002 21.522 ( -3.319 0.000 4.140) 5.306 21.533 ( -0.090 0.000 0.027) 0.093 21.777 ( 2.049 0.000 5.406) 5.782 21.797 ( -13.055 0.000 2.974) 13.390 21.914 ( -4.302 0.000 1.019) 4.421 22.484 ( 4.223 0.000 0.856) 4.309 22.604 ( -1.434 0.000 -2.436) 2.827 22.743 ( 8.469 0.000 -6.608) 10.742 22.933 ( -2.756 0.000 -8.516) 8.951 23.601 ( 1.132 0.000 0.809) 1.391 23.632 ( -0.462 0.000 0.694) 0.834 23.667 ( 2.254 0.000 -1.551) 2.736 23.727 ( -0.826 0.000 -1.510) 1.721 24.028 ( 1.489 0.000 1.803) 2.339 24.074 ( -0.751 0.000 2.213) 2.337 24.232 ( 2.999 0.000 -2.055) 3.636 24.363 ( -3.213 0.000 -4.860) 5.826 24.571 ( 1.489 0.000 -0.227) 1.506 24.605 ( 0.016 0.000 -1.814) 1.815 24.700 ( 2.412 0.000 -0.959) 2.596 24.815 ( -2.151 0.000 -4.293) 4.802 ======================= Grid point 73 (28/48) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -13.261 0.000 15.498) 20.397 1.164 ( 13.261 0.000 15.498) 20.397 1.349 ( -3.561 0.000 13.625) 14.083 1.349 ( 3.561 0.000 13.625) 14.083 1.548 ( -13.948 0.000 7.025) 15.617 1.548 ( 13.948 0.000 7.025) 15.617 1.747 ( -10.544 0.000 7.725) 13.071 1.747 ( 10.544 0.000 7.725) 13.071 2.079 ( -5.975 0.000 -6.073) 8.520 2.079 ( 5.975 0.000 -6.073) 8.520 2.087 ( -5.224 0.000 -5.079) 7.286 2.087 ( 5.224 0.000 -5.079) 7.286 2.281 ( -2.918 0.000 3.675) 4.693 2.281 ( 2.918 0.000 3.675) 4.693 2.396 ( -6.282 0.000 -3.152) 7.028 2.396 ( 6.282 0.000 -3.152) 7.028 2.542 ( -2.429 0.000 2.184) 3.267 2.542 ( 2.429 0.000 2.184) 3.267 2.593 ( -5.511 0.000 1.787) 5.793 2.593 ( 5.511 0.000 1.787) 5.793 2.765 ( -5.149 0.000 0.246) 5.155 2.765 ( 5.149 0.000 0.246) 5.155 2.866 ( -3.741 0.000 -0.987) 3.869 2.866 ( 3.741 0.000 -0.987) 3.869 3.020 ( -5.189 0.000 1.718) 5.466 3.020 ( 5.189 0.000 1.718) 5.466 3.039 ( -4.313 0.000 0.280) 4.322 3.039 ( 4.313 0.000 0.280) 4.322 3.221 ( -3.865 0.000 -0.152) 3.868 3.221 ( 3.865 0.000 -0.152) 3.868 3.376 ( -4.829 0.000 2.253) 5.328 3.376 ( 4.829 0.000 2.253) 5.328 3.485 ( -5.491 0.000 -3.125) 6.318 3.485 ( 5.491 0.000 -3.125) 6.318 3.540 ( -7.017 0.000 1.397) 7.155 3.540 ( 7.017 0.000 1.397) 7.155 3.694 ( -2.648 0.000 -4.697) 5.392 3.694 ( 2.648 0.000 -4.697) 5.392 3.817 ( -4.091 0.000 2.757) 4.933 3.817 ( 4.091 0.000 2.757) 4.933 3.900 ( -4.496 0.000 0.844) 4.574 3.900 ( 4.496 0.000 0.844) 4.574 3.976 ( -3.356 0.000 -0.418) 3.382 3.976 ( 3.356 0.000 -0.418) 3.382 4.142 ( -2.488 0.000 7.447) 7.851 4.142 ( 2.488 0.000 7.447) 7.851 4.208 ( -6.074 0.000 9.743) 11.481 4.208 ( 6.074 0.000 9.743) 11.481 4.262 ( -1.894 0.000 -3.988) 4.415 4.262 ( 1.894 0.000 -3.988) 4.415 4.630 ( -3.094 0.000 2.143) 3.763 4.630 ( 3.094 0.000 2.143) 3.763 4.678 ( -3.100 0.000 3.026) 4.331 4.678 ( 3.100 0.000 3.026) 4.332 4.792 ( -3.067 0.000 -0.091) 3.068 4.792 ( 3.067 0.000 -0.091) 3.068 4.894 ( -6.810 0.000 0.775) 6.854 4.894 ( 6.810 0.000 0.775) 6.854 4.930 ( -2.978 0.000 4.360) 5.280 4.930 ( 2.978 0.000 4.360) 5.280 5.056 ( -2.564 0.000 1.001) 2.752 5.056 ( 2.564 0.000 1.001) 2.752 5.325 ( -3.928 0.000 0.572) 3.969 5.325 ( 3.928 0.000 0.572) 3.969 5.420 ( -1.211 0.000 -4.339) 4.504 5.420 ( 1.211 0.000 -4.339) 4.504 5.599 ( -6.154 0.000 0.069) 6.155 5.599 ( 6.154 0.000 0.069) 6.155 5.635 ( -1.685 0.000 4.925) 5.205 5.635 ( 1.685 0.000 4.925) 5.205 5.766 ( -1.410 0.000 2.197) 2.610 5.766 ( 1.410 0.000 2.197) 2.610 5.841 ( -4.269 0.000 0.929) 4.369 5.841 ( 4.269 0.000 0.929) 4.369 5.969 ( -8.066 0.000 -2.486) 8.440 5.969 ( 8.066 0.000 -2.486) 8.440 6.025 ( -2.291 0.000 2.644) 3.499 6.025 ( 2.291 0.000 2.644) 3.499 6.192 ( -3.199 0.000 0.994) 3.349 6.192 ( 3.199 0.000 0.994) 3.349 6.290 ( -3.013 0.000 0.040) 3.013 6.290 ( 3.013 0.000 0.040) 3.013 6.520 ( -2.321 0.000 -8.774) 9.076 6.520 ( 2.321 0.000 -8.774) 9.076 6.551 ( -1.366 0.000 -0.566) 1.479 6.551 ( 1.366 0.000 -0.566) 1.479 6.698 ( -4.466 0.000 -0.775) 4.533 6.698 ( 4.466 0.000 -0.775) 4.533 7.106 ( -3.116 0.000 -2.330) 3.891 7.106 ( 3.116 0.000 -2.330) 3.891 7.292 ( -1.523 0.000 -2.923) 3.296 7.292 ( 1.523 0.000 -2.923) 3.296 7.474 ( -0.356 0.000 -4.093) 4.109 7.474 ( 0.356 0.000 -4.093) 4.109 7.561 ( -0.762 0.000 0.612) 0.978 7.561 ( 0.762 0.000 0.612) 0.978 9.936 ( -7.043 0.000 2.093) 7.348 9.936 ( 7.043 0.000 2.093) 7.348 10.022 ( -6.974 0.000 2.948) 7.571 10.022 ( 6.974 0.000 2.948) 7.571 10.081 ( -6.068 0.000 -1.658) 6.290 10.081 ( 6.068 0.000 -1.658) 6.290 10.144 ( -4.324 0.000 -1.938) 4.738 10.144 ( 4.324 0.000 -1.938) 4.738 10.352 ( -2.512 0.000 0.264) 2.526 10.352 ( 2.512 0.000 0.264) 2.526 10.481 ( -3.706 0.000 -2.682) 4.575 10.481 ( 3.706 0.000 -2.682) 4.575 11.572 ( -2.725 0.000 2.295) 3.563 11.572 ( 2.725 0.000 2.295) 3.563 11.732 ( -2.993 0.000 0.336) 3.012 11.732 ( 2.993 0.000 0.336) 3.012 11.817 ( -2.379 0.000 2.125) 3.190 11.817 ( 2.379 0.000 2.125) 3.190 12.097 ( -5.148 0.000 -1.488) 5.359 12.097 ( 5.148 0.000 -1.488) 5.359 12.375 ( -2.929 0.000 1.330) 3.217 12.375 ( 2.929 0.000 1.330) 3.217 12.700 ( -5.368 0.000 -3.901) 6.636 12.700 ( 5.368 0.000 -3.901) 6.636 12.907 ( -0.992 0.000 -1.741) 2.004 12.907 ( 0.992 0.000 -1.741) 2.004 13.118 ( -1.286 0.000 -2.170) 2.522 13.118 ( 1.286 0.000 -2.170) 2.522 13.269 ( -2.897 0.000 -0.087) 2.898 13.269 ( 2.897 0.000 -0.087) 2.898 13.518 ( -4.907 0.000 0.379) 4.922 13.518 ( 4.907 0.000 0.379) 4.922 13.567 ( -3.488 0.000 -0.864) 3.594 13.567 ( 3.488 0.000 -0.864) 3.594 13.825 ( -3.055 0.000 -6.987) 7.625 13.825 ( 3.055 0.000 -6.987) 7.625 19.856 ( -3.192 0.000 10.056) 10.551 19.856 ( 3.192 0.000 10.056) 10.551 20.053 ( -9.442 0.000 13.769) 16.695 20.053 ( 9.442 0.000 13.769) 16.695 20.401 ( -3.291 0.000 -3.661) 4.923 20.401 ( 3.291 0.000 -3.661) 4.923 20.798 ( -10.876 0.000 1.616) 10.995 20.798 ( 10.876 0.000 1.616) 10.995 20.954 ( -1.820 0.000 -3.593) 4.027 20.954 ( 1.820 0.000 -3.593) 4.027 21.139 ( -0.186 0.000 -2.797) 2.803 21.139 ( 0.186 0.000 -2.797) 2.803 21.292 ( -4.712 0.000 1.167) 4.855 21.292 ( 4.712 0.000 1.167) 4.855 21.528 ( -0.862 0.000 -0.136) 0.872 21.528 ( 0.862 0.000 -0.136) 0.872 21.567 ( -8.635 0.000 0.964) 8.688 21.567 ( 8.635 0.000 0.964) 8.688 21.832 ( -3.666 0.000 2.320) 4.338 21.832 ( 3.666 0.000 2.320) 4.338 22.558 ( -3.131 0.000 -0.171) 3.135 22.558 ( 3.131 0.000 -0.171) 3.135 22.863 ( -4.421 0.000 -7.173) 8.426 22.863 ( 4.421 0.000 -7.173) 8.426 23.620 ( -0.764 0.000 0.740) 1.063 23.620 ( 0.764 0.000 0.740) 1.063 23.705 ( -1.505 0.000 -1.631) 2.219 23.705 ( 1.505 0.000 -1.631) 2.219 24.055 ( -1.176 0.000 1.892) 2.227 24.055 ( 1.176 0.000 1.892) 2.227 24.296 ( -3.402 0.000 -3.252) 4.706 24.296 ( 3.402 0.000 -3.252) 4.706 24.597 ( -0.951 0.000 -1.433) 1.719 24.597 ( 0.951 0.000 -1.433) 1.719 24.759 ( -3.228 0.000 -2.354) 3.995 24.759 ( 3.228 0.000 -2.354) 3.995 ======================= Grid point 77 (29/48) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.000 19.283 11.900) 22.659 1.078 ( 0.000 5.538 23.036) 23.692 1.404 ( 0.000 -10.269 16.839) 19.723 1.438 ( 0.000 -10.812 1.863) 10.972 1.650 ( 0.000 0.174 8.526) 8.528 1.754 ( 0.000 -4.683 9.410) 10.511 1.876 ( 0.000 4.756 25.662) 26.099 1.928 ( 0.000 7.988 12.069) 14.473 1.967 ( 0.000 8.382 -6.239) 10.449 2.088 ( 0.000 9.314 -1.540) 9.440 2.121 ( 0.000 3.609 3.401) 4.959 2.175 ( 0.000 -1.925 -4.024) 4.461 2.405 ( 0.000 2.801 4.263) 5.101 2.419 ( 0.000 -1.985 -0.016) 1.985 2.448 ( 0.000 -6.293 -4.199) 7.565 2.484 ( 0.000 0.472 1.738) 1.801 2.570 ( 0.000 -1.302 1.129) 1.723 2.594 ( 0.000 0.133 3.879) 3.881 2.742 ( 0.000 -3.391 1.849) 3.862 2.804 ( 0.000 -4.820 -0.829) 4.890 2.847 ( 0.000 2.579 -3.095) 4.029 2.883 ( 0.000 -4.736 -1.398) 4.938 2.892 ( 0.000 -4.929 -2.502) 5.528 2.920 ( 0.000 -0.658 0.102) 0.666 3.062 ( 0.000 -0.621 0.922) 1.112 3.083 ( 0.000 -2.213 3.123) 3.827 3.135 ( 0.000 5.728 -0.114) 5.729 3.153 ( 0.000 1.420 0.529) 1.516 3.219 ( 0.000 -0.457 0.682) 0.821 3.264 ( 0.000 5.419 -1.116) 5.533 3.293 ( 0.000 -1.798 1.753) 2.511 3.435 ( 0.000 3.858 2.578) 4.640 3.439 ( 0.000 4.685 -3.615) 5.918 3.476 ( 0.000 -2.559 -1.463) 2.948 3.493 ( 0.000 -6.452 -3.036) 7.131 3.569 ( 0.000 -3.465 -1.154) 3.653 3.643 ( 0.000 0.726 -3.997) 4.062 3.712 ( 0.000 0.023 6.721) 6.721 3.739 ( 0.000 -1.707 1.903) 2.557 3.804 ( 0.000 1.028 -5.529) 5.624 3.848 ( 0.000 -2.383 3.069) 3.886 3.858 ( 0.000 -0.601 4.797) 4.834 3.919 ( 0.000 3.700 2.904) 4.703 3.925 ( 0.000 5.217 2.229) 5.673 4.051 ( 0.000 1.470 -2.105) 2.567 4.080 ( 0.000 -0.487 2.538) 2.584 4.114 ( 0.000 2.210 -11.168) 11.385 4.123 ( 0.000 -2.838 8.235) 8.710 4.239 ( 0.000 -0.133 -7.310) 7.311 4.265 ( 0.000 -2.159 -6.436) 6.789 4.337 ( 0.000 1.339 -9.317) 9.412 4.358 ( 0.000 4.834 -5.397) 7.245 4.445 ( 0.000 -6.621 -0.859) 6.676 4.474 ( 0.000 -0.365 0.432) 0.565 4.537 ( 0.000 2.550 -3.491) 4.323 4.660 ( 0.000 -2.289 5.510) 5.966 4.741 ( 0.000 -0.733 1.512) 1.680 4.754 ( 0.000 -1.796 0.478) 1.859 4.872 ( 0.000 -0.023 3.482) 3.482 4.884 ( 0.000 1.332 1.272) 1.842 5.030 ( 0.000 -3.373 4.333) 5.491 5.050 ( 0.000 -5.514 -2.589) 6.092 5.097 ( 0.000 4.694 4.753) 6.680 5.222 ( 0.000 -3.233 1.069) 3.405 5.379 ( 0.000 -0.078 5.222) 5.223 5.403 ( 0.000 6.130 -2.109) 6.482 5.461 ( 0.000 3.638 3.267) 4.889 5.519 ( 0.000 -4.494 0.917) 4.587 5.660 ( 0.000 6.234 1.801) 6.489 5.679 ( 0.000 -2.453 2.325) 3.380 5.723 ( 0.000 -2.624 8.029) 8.447 5.784 ( 0.000 3.619 3.387) 4.957 5.910 ( 0.000 1.251 1.865) 2.246 5.924 ( 0.000 -0.078 7.034) 7.034 6.007 ( 0.000 5.152 5.618) 7.622 6.065 ( 0.000 -6.857 0.181) 6.859 6.087 ( 0.000 -1.724 -1.374) 2.205 6.198 ( 0.000 3.127 -3.726) 4.865 6.240 ( 0.000 -1.962 5.851) 6.172 6.387 ( 0.000 5.146 -1.159) 5.275 6.402 ( 0.000 -7.597 -4.947) 9.065 6.477 ( 0.000 -1.917 0.507) 1.983 6.533 ( 0.000 2.379 -3.895) 4.564 6.551 ( 0.000 0.619 -1.392) 1.524 6.654 ( 0.000 -0.783 -0.192) 0.806 6.657 ( 0.000 -0.631 -2.066) 2.160 6.794 ( 0.000 3.790 -2.117) 4.341 6.905 ( 0.000 -1.701 -2.880) 3.345 7.125 ( 0.000 2.709 0.977) 2.880 7.221 ( 0.000 -2.187 -0.413) 2.226 7.274 ( 0.000 2.104 0.493) 2.161 7.292 ( 0.000 0.959 -5.614) 5.696 7.399 ( 0.000 0.389 -3.781) 3.801 7.425 ( 0.000 0.262 -2.054) 2.070 7.557 ( 0.000 0.598 2.433) 2.505 7.623 ( 0.000 -2.058 0.209) 2.068 9.871 ( 0.000 1.825 -0.416) 1.872 9.895 ( 0.000 0.908 -4.464) 4.556 9.917 ( 0.000 -0.609 -2.810) 2.875 10.006 ( 0.000 -3.726 -5.500) 6.643 10.248 ( 0.000 1.047 0.449) 1.139 10.328 ( 0.000 -2.530 -1.030) 2.732 10.452 ( 0.000 -1.055 -0.429) 1.139 10.469 ( 0.000 -0.941 -0.343) 1.002 10.627 ( 0.000 1.173 1.205) 1.681 10.642 ( 0.000 0.381 0.654) 0.756 10.902 ( 0.000 -1.449 6.374) 6.537 10.920 ( 0.000 -4.215 6.381) 7.648 11.204 ( 0.000 2.644 -0.633) 2.719 11.232 ( 0.000 0.417 -0.553) 0.693 11.278 ( 0.000 -0.532 -0.163) 0.556 11.288 ( 0.000 -0.835 -1.569) 1.778 11.748 ( 0.000 2.541 3.241) 4.118 11.786 ( 0.000 4.088 0.823) 4.170 11.915 ( 0.000 -2.321 4.650) 5.197 12.066 ( 0.000 -7.679 0.435) 7.692 12.229 ( 0.000 4.972 -2.223) 5.446 12.289 ( 0.000 2.208 -3.173) 3.866 12.622 ( 0.000 6.383 1.471) 6.550 12.817 ( 0.000 0.218 -4.157) 4.163 12.887 ( 0.000 1.775 -0.816) 1.954 12.895 ( 0.000 -0.392 -0.905) 0.986 12.959 ( 0.000 -6.918 -0.324) 6.925 13.030 ( 0.000 -5.033 -2.755) 5.738 13.200 ( 0.000 4.215 -1.753) 4.565 13.272 ( 0.000 2.676 -4.239) 5.013 13.426 ( 0.000 1.633 3.632) 3.983 13.455 ( 0.000 3.371 -0.134) 3.374 13.568 ( 0.000 2.583 -0.932) 2.746 13.689 ( 0.000 2.103 -3.021) 3.681 13.755 ( 0.000 -1.205 -3.906) 4.088 13.835 ( 0.000 -5.251 -14.841) 15.743 19.729 ( 0.000 0.956 8.784) 8.836 19.801 ( 0.000 -3.164 6.333) 7.080 20.022 ( 0.000 7.165 3.776) 8.099 20.192 ( 0.000 -1.692 -3.558) 3.940 20.302 ( 0.000 3.402 2.425) 4.178 20.521 ( 0.000 -1.400 -2.787) 3.119 20.774 ( 0.000 -2.337 -0.476) 2.385 20.813 ( 0.000 -9.597 -0.055) 9.597 20.976 ( 0.000 0.331 -1.889) 1.918 21.009 ( 0.000 -2.608 -0.180) 2.614 21.143 ( 0.000 3.549 -1.891) 4.022 21.226 ( 0.000 -1.945 -4.903) 5.275 21.298 ( 0.000 0.364 -0.488) 0.609 21.301 ( 0.000 0.836 -0.470) 0.959 21.508 ( 0.000 -0.633 2.156) 2.247 21.531 ( 0.000 -2.692 4.085) 4.892 21.672 ( 0.000 0.731 11.759) 11.782 21.712 ( 0.000 3.232 9.560) 10.092 21.863 ( 0.000 -7.672 9.812) 12.455 22.060 ( 0.000 -10.377 6.590) 12.293 22.367 ( 0.000 10.306 0.721) 10.332 22.466 ( 0.000 6.109 3.939) 7.269 22.618 ( 0.000 4.175 -10.894) 11.667 22.913 ( 0.000 -7.573 -8.114) 11.099 23.570 ( 0.000 0.058 0.757) 0.759 23.575 ( 0.000 -0.190 0.834) 0.855 23.658 ( 0.000 0.858 0.481) 0.983 23.720 ( 0.000 -2.178 -0.814) 2.325 24.026 ( 0.000 3.432 0.945) 3.559 24.143 ( 0.000 -2.285 -1.097) 2.534 24.163 ( 0.000 7.004 -0.231) 7.007 24.391 ( 0.000 -4.576 -5.129) 6.873 24.586 ( 0.000 4.882 0.100) 4.883 24.622 ( 0.000 0.664 -0.407) 0.778 24.643 ( 0.000 -0.400 -1.977) 2.017 24.784 ( 0.000 -4.609 -3.150) 5.583 ======================= Grid point 78 (30/48) ======================= q-point: ( 0.17 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 3.149 15.507 13.825) 21.012 1.168 ( 7.571 5.458 20.435) 22.466 1.325 ( -3.432 -7.305 13.161) 15.439 1.467 ( -0.792 -6.392 9.352) 11.355 1.618 ( -4.320 0.791 7.734) 8.894 1.675 ( -6.735 -1.154 8.785) 11.130 1.850 ( -1.316 3.652 10.712) 11.394 1.905 ( -2.695 0.783 14.113) 14.390 1.987 ( 3.144 6.296 1.508) 7.197 2.114 ( -0.826 1.332 -2.174) 2.680 2.134 ( -3.060 -0.542 -1.995) 3.693 2.165 ( 4.288 6.155 -4.211) 8.603 2.367 ( -4.826 -5.832 -0.084) 7.570 2.391 ( -1.010 0.835 -0.467) 1.391 2.427 ( -1.879 -3.107 -2.147) 4.219 2.486 ( 0.517 1.073 2.579) 2.841 2.562 ( 0.365 1.761 4.738) 5.068 2.598 ( -4.118 -0.026 1.985) 4.571 2.653 ( -1.665 1.867 0.324) 2.522 2.714 ( -7.346 1.994 1.514) 7.761 2.759 ( -4.351 -4.787 1.586) 6.661 2.868 ( -2.920 -2.693 -2.880) 4.906 2.887 ( -1.211 -0.500 -1.699) 2.146 2.947 ( -0.383 -0.005 0.674) 0.775 3.017 ( -6.083 4.077 0.172) 7.325 3.064 ( -2.837 -2.404 1.204) 3.908 3.082 ( 1.370 -3.737 3.011) 4.991 3.133 ( -4.444 -0.056 -0.974) 4.549 3.202 ( -2.425 0.929 -0.808) 2.720 3.230 ( -0.883 -2.583 -0.756) 2.833 3.337 ( 4.999 0.038 2.218) 5.469 3.387 ( -0.431 4.347 -2.325) 4.949 3.469 ( -3.108 1.050 -2.743) 4.276 3.488 ( 4.746 1.324 1.612) 5.184 3.555 ( 1.450 2.227 0.468) 2.698 3.615 ( 5.775 1.746 0.433) 6.048 3.663 ( 1.563 -1.964 1.248) 2.803 3.718 ( -0.622 -1.465 0.327) 1.625 3.781 ( 3.749 -1.725 2.987) 5.094 3.814 ( -1.731 2.119 3.764) 4.653 3.844 ( 0.037 -1.865 0.067) 1.867 3.903 ( 3.137 -3.526 1.337) 4.905 3.916 ( 2.400 -1.114 -2.129) 3.396 3.979 ( -4.497 -1.158 -6.407) 7.913 4.007 ( 0.346 2.677 0.958) 2.864 4.099 ( 2.891 -5.816 2.371) 6.914 4.138 ( 2.719 1.070 -5.271) 6.027 4.205 ( -0.359 0.065 2.491) 2.517 4.242 ( -1.885 0.667 -5.667) 6.010 4.272 ( 7.960 4.011 -2.727) 9.322 4.353 ( 7.412 3.809 -0.716) 8.365 4.457 ( 3.938 1.900 -4.943) 6.599 4.476 ( 4.269 -2.440 -2.676) 5.598 4.553 ( 2.384 1.021 -2.732) 3.767 4.567 ( 7.751 0.683 0.818) 7.823 4.665 ( 2.453 -5.209 3.866) 6.935 4.769 ( 2.272 -0.042 2.179) 3.148 4.846 ( 6.008 -2.218 0.744) 6.447 4.857 ( 0.979 -0.286 4.378) 4.495 4.947 ( -1.875 -1.766 4.375) 5.077 4.966 ( 5.738 1.713 0.577) 6.016 5.101 ( 0.482 4.304 3.531) 5.588 5.207 ( 8.842 -3.259 -1.556) 9.551 5.278 ( 4.999 -2.383 1.323) 5.694 5.320 ( -4.581 1.109 4.108) 6.252 5.420 ( 1.599 3.737 -3.268) 5.216 5.463 ( -0.151 1.305 1.564) 2.043 5.511 ( -0.128 -1.723 2.571) 3.097 5.642 ( -1.999 -1.200 5.206) 5.704 5.679 ( -0.452 -1.500 2.087) 2.609 5.721 ( 0.891 1.139 6.358) 6.521 5.774 ( -0.994 3.386 2.464) 4.303 5.881 ( -2.720 2.286 3.041) 4.676 5.946 ( 1.422 -0.433 4.357) 4.604 5.994 ( -1.506 1.605 2.026) 2.992 6.048 ( -3.348 -2.638 -1.620) 4.560 6.073 ( 0.714 -4.496 3.059) 5.485 6.162 ( -6.220 -0.682 2.995) 6.937 6.185 ( -1.904 2.100 -2.410) 3.721 6.359 ( -3.308 -4.880 -2.799) 6.526 6.391 ( -0.640 1.461 -2.626) 3.073 6.452 ( -2.151 -1.555 0.239) 2.665 6.487 ( -4.389 0.832 -1.876) 4.845 6.518 ( -2.695 0.774 -3.587) 4.553 6.609 ( -2.154 0.542 -2.422) 3.287 6.665 ( -0.741 -0.301 -0.030) 0.801 6.758 ( -3.343 3.998 -2.044) 5.598 6.871 ( -3.285 -1.856 -1.771) 4.168 7.115 ( -0.762 3.266 0.456) 3.384 7.212 ( -0.367 -1.697 -1.034) 2.020 7.266 ( -1.264 1.675 -3.342) 3.946 7.296 ( 0.405 0.811 -1.883) 2.090 7.421 ( 1.862 0.377 -4.004) 4.432 7.443 ( 1.608 0.344 -2.425) 2.930 7.550 ( -0.586 0.064 1.776) 1.871 7.592 ( -2.131 -1.688 1.195) 2.970 9.854 ( -0.885 1.523 0.194) 1.772 9.892 ( 0.172 0.036 -3.246) 3.250 9.945 ( 2.054 0.208 -2.747) 3.437 10.013 ( 0.775 -3.100 -4.469) 5.494 10.253 ( 0.281 1.127 0.519) 1.272 10.330 ( -0.378 -2.457 -0.992) 2.677 10.387 ( -5.755 0.478 1.949) 6.094 10.436 ( -12.300 1.933 1.869) 12.591 10.452 ( -6.093 -2.443 -1.530) 6.741 10.503 ( -8.566 -0.344 1.110) 8.645 10.608 ( -16.356 1.565 4.001) 16.911 10.730 ( -13.024 -3.944 1.144) 13.656 11.363 ( 11.131 4.303 0.445) 11.942 11.390 ( 11.351 1.990 -0.116) 11.525 11.477 ( 14.209 -1.779 1.393) 14.388 11.556 ( 14.685 -5.202 -1.765) 15.678 11.733 ( -1.172 2.988 3.053) 4.430 11.791 ( 0.262 3.024 0.561) 3.087 11.904 ( -0.883 -2.789 4.301) 5.202 12.065 ( -0.298 -8.423 0.044) 8.429 12.287 ( 5.204 5.771 -1.796) 7.976 12.353 ( 5.924 2.966 -3.213) 7.363 12.615 ( -0.674 5.848 1.249) 6.018 12.799 ( -1.228 -1.027 -4.053) 4.358 12.876 ( -0.143 0.745 -0.681) 1.019 12.914 ( 0.730 0.893 -2.335) 2.605 13.011 ( 3.792 -7.345 -0.997) 8.326 13.048 ( 1.386 -4.794 -2.372) 5.526 13.211 ( 1.308 3.886 -1.121) 4.251 13.286 ( 1.805 2.172 -2.807) 3.982 13.431 ( -0.672 2.300 3.083) 3.905 13.476 ( 2.503 4.311 -1.206) 5.129 13.551 ( -0.729 0.579 0.215) 0.955 13.678 ( -0.848 1.462 -3.568) 3.948 13.764 ( 0.201 -0.973 -4.827) 4.928 13.846 ( 0.781 -4.312 -12.759) 13.490 19.749 ( 1.998 0.977 9.077) 9.345 19.815 ( 1.685 -2.623 7.573) 8.190 20.004 ( -1.718 6.286 6.239) 9.022 20.220 ( 1.239 -3.866 -1.601) 4.364 20.327 ( 2.716 3.396 0.348) 4.363 20.499 ( -1.712 -2.088 -1.468) 3.074 20.743 ( -6.767 -5.380 7.070) 11.168 20.808 ( 2.816 -3.427 -0.496) 4.463 20.984 ( -0.228 1.365 -1.815) 2.282 21.030 ( 1.473 -2.102 -1.259) 2.859 21.102 ( -6.085 3.203 0.258) 6.882 21.158 ( 0.855 2.032 -2.417) 3.271 21.239 ( -3.552 0.393 0.604) 3.625 21.317 ( 1.317 1.719 -1.961) 2.922 21.469 ( -0.265 0.135 0.757) 0.813 21.521 ( -1.992 -3.575 2.759) 4.936 21.586 ( -3.942 0.688 5.186) 6.550 21.807 ( -2.691 -11.443 2.569) 12.032 21.820 ( 2.323 7.378 9.261) 12.066 22.078 ( -4.689 -3.903 9.735) 11.489 22.426 ( 6.372 4.955 -4.423) 9.204 22.529 ( 6.280 1.043 -0.913) 6.432 22.648 ( 2.377 4.712 -5.900) 7.916 22.905 ( -0.918 -6.965 -7.589) 10.341 23.580 ( 1.061 0.202 0.787) 1.336 23.600 ( 2.081 -0.852 0.355) 2.276 23.654 ( -0.382 0.832 0.441) 1.016 23.715 ( -0.420 -2.197 -0.759) 2.363 24.040 ( 1.293 3.610 0.719) 3.901 24.152 ( -0.966 6.339 -0.229) 6.416 24.162 ( 1.767 -2.159 -1.035) 2.975 24.373 ( -1.766 -4.440 -5.094) 6.984 24.586 ( 0.163 3.748 0.283) 3.762 24.615 ( 0.122 1.132 -0.717) 1.346 24.660 ( 1.052 -0.339 -1.588) 1.935 24.791 ( 0.218 -4.532 -3.753) 5.888 ======================= Grid point 79 (31/48) ======================= q-point: ( 0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 7.495 9.581 14.895) 19.231 1.298 ( 3.856 0.108 17.791) 18.204 1.321 ( 2.101 -1.705 13.058) 13.336 1.404 ( -6.776 -1.069 12.689) 14.424 1.499 ( -3.819 4.272 8.935) 10.615 1.583 ( 1.183 -0.736 6.872) 7.012 1.794 ( -6.381 1.160 13.437) 14.920 1.875 ( -1.450 -2.784 5.509) 6.341 2.000 ( -1.366 3.283 -1.409) 3.825 2.059 ( -1.516 1.295 -8.539) 8.769 2.120 ( 0.295 -1.375 -4.970) 5.165 2.197 ( -4.781 -1.950 -2.970) 5.956 2.268 ( -0.271 -1.654 -1.688) 2.379 2.337 ( -5.407 -1.746 -3.925) 6.906 2.391 ( -3.076 3.015 -0.222) 4.313 2.448 ( -1.607 -0.885 -0.379) 1.874 2.518 ( -4.503 0.448 4.131) 6.127 2.603 ( 2.466 0.846 2.099) 3.347 2.640 ( 2.562 7.139 2.256) 7.913 2.653 ( -2.816 0.542 1.304) 3.150 2.751 ( 5.506 -2.290 5.346) 8.009 2.792 ( -3.791 -2.474 -1.166) 4.674 2.851 ( -4.357 5.302 0.911) 6.923 2.896 ( 2.350 -0.511 -0.205) 2.414 2.939 ( -3.269 0.649 1.772) 3.774 3.001 ( -2.526 -0.190 -1.121) 2.770 3.050 ( -2.643 -1.633 -1.602) 3.495 3.092 ( -1.881 -2.923 0.956) 3.605 3.195 ( 1.040 -2.034 -1.026) 2.504 3.260 ( 3.515 -2.522 -2.684) 5.091 3.343 ( -3.165 5.032 -0.625) 5.978 3.408 ( 1.246 2.388 4.022) 4.841 3.480 ( 3.821 3.716 -2.454) 5.868 3.515 ( -2.816 1.139 3.202) 4.414 3.591 ( 3.210 -1.607 1.468) 3.879 3.626 ( -3.124 3.502 1.891) 5.060 3.711 ( -1.528 2.551 -6.915) 7.527 3.736 ( 1.431 1.120 0.146) 1.823 3.790 ( -0.487 -0.205 3.250) 3.293 3.811 ( -0.252 -2.541 1.277) 2.855 3.841 ( 0.556 0.172 -1.028) 1.181 3.875 ( -1.899 -2.402 0.362) 3.083 3.952 ( 2.174 -2.910 0.100) 3.634 3.985 ( 1.681 -4.547 1.763) 5.158 4.016 ( 1.091 -3.420 3.065) 4.721 4.095 ( -0.443 -6.828 -2.021) 7.135 4.129 ( -3.973 0.594 5.674) 6.952 4.195 ( 0.156 -2.531 2.345) 3.454 4.274 ( 3.294 3.047 -2.930) 5.359 4.404 ( -0.445 4.424 9.018) 10.055 4.494 ( 9.805 2.295 -1.587) 10.194 4.532 ( 3.678 -1.013 -3.770) 5.364 4.590 ( 5.199 -4.075 -1.499) 6.774 4.660 ( 8.375 4.670 2.630) 9.943 4.707 ( 4.757 -2.335 -0.427) 5.316 4.768 ( 5.536 2.092 -0.131) 5.919 4.842 ( 4.423 1.978 3.771) 6.140 4.897 ( 0.297 -1.714 6.386) 6.619 4.918 ( 2.819 -2.526 2.445) 4.506 4.933 ( 0.154 -0.923 4.891) 4.980 5.083 ( 2.067 5.316 0.558) 5.731 5.103 ( 2.645 7.399 1.754) 8.051 5.249 ( -0.715 -1.232 0.269) 1.449 5.352 ( 2.766 0.303 0.846) 2.908 5.392 ( 5.945 -4.519 -1.994) 7.729 5.458 ( 1.354 -2.223 -1.322) 2.920 5.460 ( 0.408 1.921 -3.197) 3.752 5.520 ( 1.147 -1.736 2.183) 3.016 5.627 ( 0.732 -2.799 3.542) 4.573 5.636 ( -2.397 -5.555 5.651) 8.279 5.748 ( -1.369 2.023 -0.419) 2.479 5.761 ( 0.358 2.887 3.839) 4.817 5.827 ( -0.397 2.231 1.898) 2.956 5.916 ( -5.019 -2.564 0.125) 5.637 5.955 ( -1.319 0.396 -0.177) 1.389 6.010 ( -6.030 -0.721 2.912) 6.735 6.024 ( 0.553 -1.145 -1.383) 1.879 6.103 ( 2.436 -1.319 2.308) 3.606 6.152 ( -2.283 1.013 -0.553) 2.558 6.277 ( -5.029 -2.038 -0.142) 5.428 6.347 ( -3.326 1.705 -0.872) 3.838 6.380 ( -4.739 1.689 -1.459) 5.239 6.436 ( -0.068 -3.636 -2.687) 4.521 6.463 ( -2.270 -2.482 -4.878) 5.925 6.597 ( 0.978 2.511 -3.640) 4.529 6.638 ( -1.420 1.251 -0.396) 1.933 6.690 ( -2.663 3.280 -2.008) 4.678 6.785 ( -5.049 -1.704 -1.024) 5.427 7.109 ( 0.463 3.970 -0.856) 4.088 7.196 ( -2.216 1.539 -2.681) 3.804 7.247 ( 0.419 -0.822 -3.001) 3.140 7.295 ( -0.637 -1.194 -1.948) 2.372 7.461 ( 1.860 0.782 -3.854) 4.351 7.476 ( 1.365 0.927 -2.918) 3.352 7.541 ( -0.083 -0.849 0.643) 1.068 7.564 ( -0.879 -1.461 0.685) 1.837 9.861 ( 2.072 1.423 1.486) 2.920 9.916 ( 2.619 -0.820 -0.481) 2.786 9.994 ( 3.057 0.556 -2.028) 3.710 10.042 ( 2.040 -2.075 -1.779) 3.410 10.149 ( -11.603 1.358 1.402) 11.766 10.201 ( -8.805 -0.711 1.031) 8.894 10.244 ( -7.384 0.385 0.272) 7.399 10.271 ( -9.252 0.229 0.670) 9.280 10.333 ( -0.448 1.051 1.637) 1.997 10.405 ( -0.416 -1.720 -0.415) 1.818 10.432 ( -3.564 0.802 -0.882) 3.758 10.542 ( -6.108 -3.652 -2.263) 7.467 11.535 ( 6.212 5.015 1.529) 8.129 11.595 ( 7.227 3.732 -0.331) 8.140 11.698 ( 7.747 -2.498 1.769) 8.330 11.701 ( 0.028 2.266 3.089) 3.831 11.783 ( 4.773 -1.391 -0.620) 5.010 11.789 ( 0.603 0.155 0.117) 0.633 11.898 ( 1.423 -6.287 2.480) 6.906 12.045 ( -1.973 -9.356 -0.674) 9.585 12.400 ( 5.480 7.683 -0.350) 9.444 12.481 ( 5.005 6.281 -2.594) 8.440 12.608 ( 1.100 2.231 0.059) 2.488 12.765 ( -2.531 -1.893 -4.114) 5.188 12.891 ( 1.388 1.200 -1.211) 2.199 12.923 ( 0.184 1.103 -2.365) 2.616 13.050 ( 0.584 -5.088 -2.137) 5.550 13.070 ( 0.232 -5.908 -2.600) 6.459 13.252 ( 2.746 3.569 0.062) 4.503 13.349 ( 2.990 1.310 -1.141) 3.458 13.395 ( -1.217 1.061 2.380) 2.877 13.523 ( -1.071 -3.037 1.720) 3.651 13.559 ( 3.419 5.196 -2.749) 6.800 13.670 ( -0.166 2.957 -2.733) 4.030 13.763 ( 0.292 -1.595 -6.434) 6.635 13.844 ( -1.339 -3.421 -8.630) 9.379 19.804 ( 3.393 1.329 9.733) 10.393 19.877 ( 4.488 -2.171 10.213) 11.365 19.956 ( -2.927 3.899 9.289) 10.491 20.168 ( -6.903 -6.859 8.236) 12.748 20.389 ( 3.391 4.427 -1.187) 5.701 20.513 ( 2.178 2.752 -3.019) 4.629 20.624 ( -1.842 -0.039 6.253) 6.518 20.849 ( -0.787 -6.892 0.128) 6.938 20.964 ( -0.408 2.660 -2.560) 3.714 21.028 ( -1.605 1.943 -2.215) 3.355 21.087 ( 1.475 -2.755 -1.836) 3.625 21.129 ( -2.244 -2.118 -3.256) 4.486 21.238 ( 3.445 4.272 1.534) 5.699 21.344 ( 1.349 2.463 -1.929) 3.407 21.430 ( -3.021 -3.331 1.393) 4.708 21.515 ( -0.779 -1.970 -0.478) 2.172 21.571 ( 3.251 2.838 1.550) 4.585 21.723 ( -4.397 -5.909 1.007) 7.434 21.822 ( -2.004 4.000 6.096) 7.562 21.928 ( -8.158 -0.107 4.357) 9.249 22.533 ( 4.418 4.842 -0.634) 6.585 22.623 ( 0.939 1.791 -4.474) 4.910 22.725 ( 5.491 -1.402 -4.437) 7.198 22.874 ( -2.200 -6.021 -6.792) 9.339 23.605 ( 1.266 0.465 0.744) 1.540 23.636 ( 0.429 0.019 0.456) 0.626 23.652 ( 1.083 -0.852 -0.342) 1.420 23.703 ( -0.793 -2.205 -0.739) 2.457 24.071 ( 1.687 4.079 0.470) 4.439 24.128 ( -1.252 5.463 0.369) 5.617 24.210 ( 2.842 -2.491 -1.903) 4.232 24.326 ( -2.748 -3.876 -4.218) 6.353 24.598 ( 0.967 2.504 -0.365) 2.709 24.624 ( 0.288 2.168 -1.536) 2.673 24.685 ( 1.778 -1.537 -1.015) 2.560 24.777 ( -1.682 -3.932 -3.393) 5.459 ======================= Grid point 80 (32/48) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -10.621 3.878 14.782) 18.611 1.204 ( 10.621 3.878 14.782) 18.611 1.330 ( -0.633 -2.103 13.975) 14.146 1.330 ( 0.633 -2.103 13.975) 14.146 1.597 ( -11.355 4.744 7.607) 14.468 1.597 ( 11.355 4.744 7.607) 14.468 1.733 ( -10.296 -1.691 8.334) 13.354 1.733 ( 10.296 -1.691 8.334) 13.354 2.050 ( -3.367 -0.502 -5.302) 6.301 2.050 ( 3.367 -0.502 -5.302) 6.301 2.111 ( -1.160 -0.204 -7.018) 7.116 2.111 ( 1.160 -0.204 -7.018) 7.116 2.274 ( -1.554 -0.017 2.659) 3.080 2.274 ( 1.554 -0.017 2.659) 3.080 2.365 ( -3.927 -3.495 -1.446) 5.452 2.365 ( 3.927 -3.495 -1.446) 5.452 2.548 ( -4.197 4.053 1.617) 6.054 2.548 ( 4.197 4.053 1.617) 6.054 2.693 ( -1.289 4.114 0.003) 4.311 2.693 ( 1.289 4.114 0.003) 4.311 2.744 ( -3.737 0.168 0.129) 3.743 2.744 ( 3.737 0.168 0.129) 3.743 2.860 ( -3.567 -0.674 -1.236) 3.835 2.860 ( 3.567 -0.674 -1.236) 3.835 2.991 ( -3.017 -1.733 2.710) 4.410 2.991 ( 3.017 -1.733 2.710) 4.410 3.041 ( -1.800 -1.692 0.149) 2.475 3.041 ( 1.800 -1.692 0.149) 2.475 3.233 ( -4.198 3.208 -1.156) 5.409 3.233 ( 4.198 3.208 -1.156) 5.409 3.385 ( -6.950 -1.718 -1.250) 7.268 3.385 ( 6.950 -1.718 -1.250) 7.268 3.500 ( -6.140 3.779 3.362) 7.955 3.500 ( 6.140 3.779 3.362) 7.955 3.590 ( -3.323 4.600 -0.788) 5.729 3.590 ( 3.323 4.600 -0.788) 5.729 3.711 ( -2.181 0.462 -2.802) 3.581 3.711 ( 2.181 0.462 -2.802) 3.581 3.784 ( -1.740 -4.533 2.535) 5.478 3.784 ( 1.740 -4.533 2.535) 5.478 3.874 ( -1.330 0.130 1.176) 1.780 3.874 ( 1.330 0.130 1.176) 1.780 3.980 ( -1.852 -0.585 -1.157) 2.260 3.980 ( 1.852 -0.585 -1.157) 2.260 4.065 ( -3.065 -5.694 8.340) 10.553 4.065 ( 3.065 -5.694 8.340) 10.553 4.141 ( -4.148 -5.671 1.353) 7.156 4.141 ( 4.148 -5.671 1.353) 7.156 4.349 ( -3.989 6.977 3.566) 8.792 4.349 ( 3.989 6.977 3.566) 8.792 4.584 ( -1.978 -4.795 2.478) 5.749 4.584 ( 1.978 -4.795 2.478) 5.749 4.710 ( -5.488 3.002 -1.042) 6.341 4.710 ( 5.488 3.002 -1.042) 6.341 4.819 ( -1.505 2.751 3.286) 4.542 4.819 ( 1.505 2.751 3.286) 4.542 4.858 ( -5.898 -3.022 -0.208) 6.631 4.858 ( 5.898 -3.022 -0.208) 6.631 4.938 ( -1.364 0.396 7.049) 7.191 4.938 ( 1.364 0.396 7.049) 7.191 5.127 ( -2.133 6.489 1.502) 6.994 5.127 ( 2.133 6.489 1.502) 6.994 5.308 ( -5.041 -1.429 0.397) 5.255 5.308 ( 5.041 -1.429 0.397) 5.255 5.451 ( -0.423 2.093 -3.919) 4.463 5.451 ( 0.423 2.093 -3.919) 4.463 5.519 ( -3.656 -6.117 2.403) 7.520 5.519 ( 3.656 -6.117 2.403) 7.520 5.625 ( -2.395 -2.543 1.301) 3.727 5.625 ( 2.395 -2.543 1.301) 3.727 5.738 ( -1.660 0.125 0.272) 1.687 5.738 ( 1.660 0.125 0.272) 1.687 5.856 ( -1.235 -2.301 -1.524) 3.024 5.856 ( 1.235 -2.301 -1.524) 3.024 5.933 ( -1.995 0.381 0.829) 2.193 5.933 ( 1.995 0.381 0.829) 2.193 6.084 ( -4.176 3.567 0.824) 5.554 6.084 ( 4.176 3.567 0.824) 5.554 6.174 ( -4.555 -2.188 1.731) 5.342 6.174 ( 4.555 -2.188 1.731) 5.342 6.317 ( -1.154 2.773 -0.952) 3.150 6.317 ( 1.154 2.773 -0.952) 3.150 6.440 ( -0.523 -4.700 -4.162) 6.300 6.440 ( 0.523 -4.700 -4.162) 6.300 6.620 ( -0.965 3.771 -3.351) 5.137 6.620 ( 0.965 3.771 -3.351) 5.137 6.692 ( -3.423 -0.730 -1.010) 3.643 6.692 ( 3.423 -0.730 -1.010) 3.643 7.141 ( -2.648 3.613 -2.178) 4.981 7.141 ( 2.648 3.613 -2.178) 4.981 7.272 ( -1.530 -2.255 -2.801) 3.908 7.272 ( 1.530 -2.255 -2.801) 3.908 7.486 ( -0.481 1.301 -3.303) 3.583 7.486 ( 0.481 1.301 -3.303) 3.583 7.548 ( -0.695 -1.419 0.038) 1.581 7.548 ( 0.695 -1.419 0.038) 1.581 9.948 ( -6.828 1.266 2.239) 7.296 9.948 ( 6.828 1.266 2.239) 7.296 10.007 ( -6.380 -1.477 2.605) 7.047 10.007 ( 6.380 -1.477 2.605) 7.047 10.094 ( -5.947 1.238 -1.424) 6.239 10.094 ( 5.947 1.238 -1.424) 6.239 10.138 ( -4.684 -0.763 -1.938) 5.126 10.138 ( 4.684 -0.763 -1.938) 5.126 10.362 ( -2.535 1.276 0.146) 2.842 10.362 ( 2.535 1.276 0.146) 2.842 10.453 ( -3.325 -2.793 -1.903) 4.740 10.453 ( 3.325 -2.793 -1.903) 4.740 11.620 ( -2.634 5.025 1.980) 6.009 11.620 ( 2.634 5.025 1.980) 6.009 11.751 ( -3.158 1.836 0.039) 3.653 11.751 ( 3.158 1.836 0.039) 3.653 11.798 ( -2.816 -1.803 2.321) 4.070 11.798 ( 2.816 -1.803 2.321) 4.070 11.980 ( -4.606 -9.515 -0.795) 10.601 11.980 ( 4.606 -9.515 -0.795) 10.601 12.487 ( -3.034 8.949 0.097) 9.450 12.487 ( 3.034 8.949 0.097) 9.450 12.689 ( -5.085 -1.685 -3.295) 6.289 12.689 ( 5.085 -1.685 -3.295) 6.289 12.917 ( -0.944 1.462 -1.923) 2.594 12.917 ( 0.944 1.462 -1.923) 2.594 13.061 ( -0.732 -5.151 -2.534) 5.788 13.061 ( 0.732 -5.151 -2.534) 5.788 13.314 ( -3.277 3.956 0.607) 5.173 13.314 ( 3.277 3.956 0.607) 5.173 13.461 ( -4.350 -4.067 1.118) 6.059 13.461 ( 4.350 -4.067 1.118) 6.059 13.636 ( -3.314 5.164 -2.624) 6.673 13.636 ( 3.314 5.164 -2.624) 6.673 13.798 ( -2.796 -2.951 -6.464) 7.636 13.798 ( 2.796 -2.951 -6.464) 7.636 19.877 ( -3.746 2.335 10.159) 11.076 19.877 ( 3.746 2.335 10.159) 11.076 20.010 ( -7.643 -4.092 12.115) 14.897 20.010 ( 7.643 -4.092 12.115) 14.897 20.467 ( -4.227 6.563 -1.961) 8.050 20.467 ( 4.227 6.563 -1.961) 8.050 20.733 ( -8.632 -6.296 0.711) 10.708 20.733 ( 8.632 -6.296 0.711) 10.708 20.991 ( -2.160 3.234 -2.766) 4.772 20.991 ( 2.160 3.234 -2.766) 4.772 21.109 ( -0.668 -2.868 -2.347) 3.765 21.109 ( 0.668 -2.868 -2.347) 3.765 21.318 ( -3.854 2.580 0.312) 4.649 21.318 ( 3.854 2.580 0.312) 4.649 21.449 ( -4.600 -4.829 -0.551) 6.692 21.449 ( 4.600 -4.829 -0.551) 6.692 21.654 ( -3.578 5.688 1.700) 6.931 21.654 ( 3.578 5.688 1.700) 6.931 21.809 ( -2.696 -2.526 2.431) 4.422 21.809 ( 2.696 -2.526 2.431) 4.422 22.602 ( -2.477 4.734 -1.220) 5.481 22.602 ( 2.477 4.734 -1.220) 5.481 22.817 ( -3.651 -4.925 -6.152) 8.685 22.817 ( 3.651 -4.925 -6.152) 8.685 23.626 ( -0.849 0.741 0.649) 1.300 23.626 ( 0.849 0.741 0.649) 1.300 23.682 ( -1.382 -2.066 -0.733) 2.592 23.682 ( 1.382 -2.066 -0.733) 2.592 24.102 ( -1.426 4.671 0.461) 4.906 24.102 ( 1.426 4.671 0.461) 4.906 24.269 ( -3.024 -3.075 -2.939) 5.219 24.269 ( 3.024 -3.075 -2.939) 5.219 24.618 ( -0.833 2.292 -1.304) 2.765 24.618 ( 0.833 2.292 -1.304) 2.765 24.731 ( -2.649 -2.848 -1.932) 4.343 24.731 ( 2.649 -2.848 -1.932) 4.343 ======================= Grid point 84 (33/48) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 0.000 -15.401 5.630) 16.398 1.212 ( 0.000 15.401 5.630) 16.398 1.217 ( 0.000 -9.724 19.287) 21.600 1.217 ( 0.000 9.724 19.287) 21.600 1.678 ( 0.000 -3.185 9.746) 10.253 1.678 ( 0.000 3.185 9.746) 10.253 1.946 ( 0.000 -2.003 21.185) 21.279 1.946 ( 0.000 2.003 21.185) 21.279 2.126 ( 0.000 -4.079 -6.792) 7.923 2.126 ( 0.000 4.079 -6.792) 7.923 2.222 ( 0.000 -0.550 -2.106) 2.177 2.222 ( 0.000 0.550 -2.106) 2.177 2.343 ( 0.000 -1.161 -5.069) 5.200 2.343 ( 0.000 1.161 -5.069) 5.200 2.472 ( 0.000 -3.100 5.157) 6.017 2.472 ( 0.000 3.100 5.157) 6.017 2.562 ( 0.000 -2.306 7.342) 7.695 2.562 ( 0.000 2.306 7.342) 7.695 2.729 ( 0.000 -2.577 0.004) 2.577 2.729 ( 0.000 2.577 0.004) 2.577 2.827 ( 0.000 -0.175 -1.944) 1.952 2.827 ( 0.000 0.175 -1.944) 1.952 2.919 ( 0.000 -1.638 -3.931) 4.259 2.919 ( 0.000 1.638 -3.931) 4.259 3.039 ( 0.000 -0.409 0.901) 0.990 3.039 ( 0.000 0.409 0.901) 0.990 3.182 ( 0.000 -0.705 1.616) 1.763 3.182 ( 0.000 0.705 1.616) 1.763 3.261 ( 0.000 -2.849 -0.279) 2.863 3.261 ( 0.000 2.849 -0.279) 2.863 3.366 ( 0.000 -6.674 -3.018) 7.324 3.366 ( 0.000 6.674 -3.018) 7.324 3.453 ( 0.000 -1.606 -0.458) 1.670 3.453 ( 0.000 1.606 -0.458) 1.670 3.509 ( 0.000 -3.067 2.435) 3.916 3.509 ( 0.000 3.067 2.435) 3.916 3.693 ( 0.000 -2.131 3.953) 4.490 3.693 ( 0.000 2.131 3.953) 4.490 3.750 ( 0.000 -5.057 -4.781) 6.959 3.750 ( 0.000 5.057 -4.781) 6.959 3.842 ( 0.000 -1.534 -1.748) 2.325 3.842 ( 0.000 1.534 -1.748) 2.325 4.015 ( 0.000 -5.707 3.250) 6.568 4.015 ( 0.000 5.707 3.250) 6.568 4.031 ( 0.000 -5.732 5.597) 8.012 4.031 ( 0.000 5.732 5.597) 8.012 4.130 ( 0.000 -2.770 -1.764) 3.284 4.130 ( 0.000 2.770 -1.764) 3.284 4.234 ( 0.000 -0.390 -6.789) 6.800 4.234 ( 0.000 0.390 -6.789) 6.800 4.339 ( 0.000 -0.433 -7.561) 7.574 4.339 ( 0.000 0.433 -7.561) 7.574 4.451 ( 0.000 -2.672 -1.135) 2.903 4.451 ( 0.000 2.672 -1.135) 2.903 4.606 ( 0.000 -4.048 1.356) 4.269 4.606 ( 0.000 4.048 1.356) 4.269 4.731 ( 0.000 -0.160 1.039) 1.052 4.731 ( 0.000 0.160 1.039) 1.052 4.925 ( 0.000 -2.154 0.934) 2.348 4.925 ( 0.000 2.154 0.934) 2.348 4.950 ( 0.000 -0.539 1.926) 2.000 4.950 ( 0.000 0.539 1.926) 2.000 5.169 ( 0.000 -3.011 3.395) 4.538 5.169 ( 0.000 3.011 3.395) 4.538 5.422 ( 0.000 -4.504 2.335) 5.073 5.422 ( 0.000 4.504 2.335) 5.073 5.492 ( 0.000 -2.190 0.963) 2.392 5.492 ( 0.000 2.190 0.963) 2.392 5.661 ( 0.000 -0.942 4.184) 4.289 5.661 ( 0.000 0.942 4.184) 4.289 5.820 ( 0.000 -5.754 2.060) 6.111 5.820 ( 0.000 5.754 2.060) 6.111 5.872 ( 0.000 -1.379 2.484) 2.841 5.872 ( 0.000 1.379 2.484) 2.841 6.039 ( 0.000 -2.315 0.110) 2.317 6.039 ( 0.000 2.315 0.110) 2.317 6.157 ( 0.000 -7.513 7.888) 10.893 6.157 ( 0.000 7.513 7.888) 10.893 6.272 ( 0.000 -5.823 -4.093) 7.117 6.272 ( 0.000 5.823 -4.093) 7.117 6.438 ( 0.000 -1.988 0.858) 2.165 6.438 ( 0.000 1.988 0.858) 2.165 6.571 ( 0.000 -0.503 -3.857) 3.890 6.571 ( 0.000 0.503 -3.857) 3.890 6.641 ( 0.000 -0.377 -2.132) 2.165 6.641 ( 0.000 0.377 -2.132) 2.165 6.860 ( 0.000 -3.283 -2.322) 4.021 6.860 ( 0.000 3.283 -2.322) 4.021 7.178 ( 0.000 -2.855 0.178) 2.861 7.178 ( 0.000 2.855 0.178) 2.861 7.299 ( 0.000 -0.367 -3.282) 3.302 7.299 ( 0.000 0.367 -3.282) 3.302 7.417 ( 0.000 -1.210 -2.267) 2.569 7.417 ( 0.000 1.210 -2.267) 2.569 7.580 ( 0.000 -2.203 1.883) 2.898 7.580 ( 0.000 2.203 1.883) 2.898 9.902 ( 0.000 -1.154 -2.780) 3.010 9.902 ( 0.000 1.154 -2.780) 3.010 9.934 ( 0.000 -3.760 -2.873) 4.732 9.934 ( 0.000 3.760 -2.873) 4.732 10.279 ( 0.000 -2.460 -0.137) 2.463 10.279 ( 0.000 2.460 -0.137) 2.463 10.451 ( 0.000 -0.747 0.422) 0.858 10.451 ( 0.000 0.747 0.422) 0.858 10.643 ( 0.000 -0.404 1.034) 1.110 10.643 ( 0.000 0.404 1.034) 1.110 10.883 ( 0.000 -0.022 6.366) 6.366 10.883 ( 0.000 0.022 6.366) 6.366 11.234 ( 0.000 -0.594 -0.852) 1.038 11.234 ( 0.000 0.594 -0.852) 1.038 11.274 ( 0.000 -0.383 -0.957) 1.031 11.274 ( 0.000 0.383 -0.957) 1.031 11.800 ( 0.000 -2.692 2.370) 3.587 11.800 ( 0.000 2.692 2.370) 3.587 11.942 ( 0.000 -5.734 2.421) 6.225 11.942 ( 0.000 5.734 2.421) 6.225 12.293 ( 0.000 -1.761 -3.377) 3.809 12.293 ( 0.000 1.761 -3.377) 3.809 12.753 ( 0.000 -7.246 -1.042) 7.321 12.753 ( 0.000 7.246 -1.042) 7.321 12.892 ( 0.000 -0.541 -0.287) 0.613 12.892 ( 0.000 0.541 -0.287) 0.613 12.945 ( 0.000 -4.331 -2.822) 5.169 12.945 ( 0.000 4.331 -2.822) 5.169 13.262 ( 0.000 -2.636 -1.677) 3.124 13.262 ( 0.000 2.636 -1.677) 3.124 13.460 ( 0.000 -1.819 2.490) 3.084 13.460 ( 0.000 1.819 2.490) 3.084 13.698 ( 0.000 -8.803 -10.631) 13.803 13.698 ( 0.000 8.803 -10.631) 13.803 13.730 ( 0.000 -2.601 -4.688) 5.361 13.730 ( 0.000 2.601 -4.688) 5.361 19.755 ( 0.000 -2.031 7.802) 8.063 19.755 ( 0.000 2.031 7.802) 8.063 20.138 ( 0.000 -4.900 -1.651) 5.170 20.138 ( 0.000 4.900 -1.651) 5.170 20.414 ( 0.000 -9.002 3.715) 9.738 20.414 ( 0.000 9.002 3.715) 9.738 20.733 ( 0.000 -0.984 0.843) 1.295 20.733 ( 0.000 0.984 0.843) 1.295 20.981 ( 0.000 -0.676 -1.166) 1.348 20.981 ( 0.000 0.676 -1.166) 1.348 21.194 ( 0.000 -2.144 -4.325) 4.827 21.194 ( 0.000 2.144 -4.325) 4.827 21.304 ( 0.000 -0.247 -0.141) 0.285 21.304 ( 0.000 0.247 -0.141) 0.285 21.502 ( 0.000 -0.394 3.227) 3.251 21.502 ( 0.000 0.394 3.227) 3.251 21.698 ( 0.000 -2.352 11.416) 11.655 21.698 ( 0.000 2.352 11.416) 11.655 21.895 ( 0.000 -7.760 7.213) 10.595 21.895 ( 0.000 7.760 7.213) 10.595 22.483 ( 0.000 -3.166 0.138) 3.169 22.483 ( 0.000 3.166 0.138) 3.169 22.756 ( 0.000 -9.560 -6.545) 11.586 22.756 ( 0.000 9.560 -6.545) 11.586 23.572 ( 0.000 -0.185 0.779) 0.801 23.572 ( 0.000 0.185 0.779) 0.801 23.682 ( 0.000 -1.840 0.030) 1.841 23.682 ( 0.000 1.840 0.030) 1.841 24.090 ( 0.000 -3.522 -0.316) 3.536 24.090 ( 0.000 3.522 -0.316) 3.536 24.291 ( 0.000 -6.713 -3.606) 7.620 24.291 ( 0.000 6.713 -3.606) 7.620 24.633 ( 0.000 -0.705 -1.263) 1.446 24.633 ( 0.000 0.705 -1.263) 1.446 24.686 ( 0.000 -5.939 -1.344) 6.089 24.686 ( 0.000 5.939 -1.344) 6.089 ======================= Grid point 86 (34/48) ======================= q-point: ( 0.17 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -0.450 -11.190 13.345) 17.422 1.161 ( -0.450 11.190 13.345) 17.422 1.313 ( 4.745 -9.790 13.658) 17.462 1.313 ( 4.745 9.790 13.658) 17.462 1.642 ( -4.247 -1.966 8.828) 9.992 1.642 ( -4.247 1.966 8.828) 9.992 1.904 ( -3.853 -1.516 15.271) 15.823 1.904 ( -3.853 1.516 15.271) 15.823 2.092 ( -1.430 -3.346 -6.387) 7.351 2.092 ( -1.430 3.346 -6.387) 7.351 2.197 ( -2.799 -6.180 0.905) 6.844 2.197 ( -2.799 6.180 0.905) 6.844 2.322 ( -2.040 -4.827 -8.109) 9.655 2.322 ( -2.040 4.827 -8.109) 9.655 2.464 ( 0.157 -3.863 6.485) 7.549 2.464 ( 0.157 3.863 6.485) 7.549 2.584 ( 1.269 -1.235 5.906) 6.166 2.584 ( 1.269 1.235 5.906) 6.166 2.691 ( -4.396 -2.785 -0.350) 5.216 2.691 ( -4.396 2.785 -0.350) 5.216 2.777 ( -2.349 -5.157 -1.066) 5.766 2.777 ( -2.349 5.157 -1.066) 5.766 2.945 ( 0.399 -3.191 -2.685) 4.190 2.945 ( 0.399 3.191 -2.685) 4.190 3.014 ( -1.049 -1.344 1.051) 2.003 3.014 ( -1.049 1.344 1.051) 2.003 3.105 ( -5.823 -3.613 -0.014) 6.853 3.105 ( -5.823 3.613 -0.014) 6.853 3.207 ( -3.679 -0.484 -0.942) 3.828 3.207 ( -3.679 0.484 -0.942) 3.828 3.370 ( 3.082 -3.749 2.023) 5.258 3.370 ( 3.082 3.749 2.023) 5.258 3.511 ( 0.634 -4.417 0.888) 4.549 3.511 ( 0.634 4.417 0.888) 4.549 3.600 ( 6.539 -6.483 0.739) 9.238 3.600 ( 6.539 6.483 0.739) 9.238 3.679 ( 1.664 -1.584 2.860) 3.669 3.679 ( 1.664 1.584 2.860) 3.669 3.775 ( 0.725 -3.979 -3.753) 5.517 3.775 ( 0.725 3.979 -3.753) 5.517 3.875 ( -0.959 -1.087 -1.332) 1.969 3.875 ( -0.959 1.087 -1.332) 1.969 3.925 ( -0.153 -4.608 2.246) 5.128 3.925 ( -0.153 4.608 2.246) 5.128 4.034 ( -4.223 -1.295 -1.616) 4.704 4.034 ( -4.223 1.295 -1.616) 4.704 4.175 ( 1.129 -2.755 -2.092) 3.638 4.175 ( 1.129 2.755 -2.092) 3.638 4.312 ( 4.024 -5.208 -1.855) 6.838 4.312 ( 4.024 5.208 -1.855) 6.838 4.380 ( 9.244 -6.870 -3.988) 12.189 4.380 ( 9.244 6.870 -3.988) 12.189 4.515 ( 3.469 -3.321 2.768) 5.543 4.515 ( 3.469 3.321 2.768) 5.543 4.620 ( 4.172 -1.373 -0.088) 4.393 4.620 ( 4.172 1.373 -0.088) 4.393 4.781 ( 2.757 -2.953 1.698) 4.383 4.781 ( 2.757 2.953 1.698) 4.383 4.895 ( 0.485 -3.211 2.994) 4.417 4.895 ( 0.485 3.211 2.994) 4.417 5.044 ( 7.157 -6.334 0.840) 9.594 5.044 ( 7.157 6.334 0.840) 9.594 5.229 ( 4.415 -3.271 2.092) 5.879 5.229 ( 4.415 3.271 2.092) 5.879 5.386 ( -2.575 -4.634 0.622) 5.338 5.386 ( -2.575 4.634 0.622) 5.338 5.513 ( 1.624 -2.195 0.133) 2.734 5.513 ( 1.624 2.195 0.133) 2.734 5.624 ( -3.328 -1.450 5.352) 6.467 5.624 ( -3.328 1.450 5.352) 6.467 5.813 ( -1.281 -3.385 1.626) 3.967 5.813 ( -1.281 3.385 1.626) 3.967 5.886 ( 1.339 -2.899 1.845) 3.688 5.886 ( 1.339 2.899 1.845) 3.688 6.003 ( -3.277 -1.752 0.094) 3.717 6.003 ( -3.277 1.752 0.094) 3.717 6.113 ( -3.843 -4.981 5.658) 8.462 6.113 ( -3.843 4.981 5.658) 8.462 6.253 ( -1.424 -5.392 -2.594) 6.150 6.253 ( -1.424 5.392 -2.594) 6.150 6.417 ( -2.074 -1.559 0.235) 2.605 6.417 ( -2.074 1.559 0.235) 2.605 6.518 ( -4.417 -1.632 -3.185) 5.685 6.518 ( -4.417 1.632 -3.185) 5.685 6.638 ( -0.463 -2.293 -2.140) 3.170 6.638 ( -0.463 2.293 -2.140) 3.170 6.826 ( -3.236 -3.276 -1.833) 4.956 6.826 ( -3.236 3.276 -1.833) 4.956 7.174 ( -0.130 -2.862 -0.548) 2.917 7.174 ( -0.130 2.862 -0.548) 2.917 7.294 ( -0.798 -1.078 -2.920) 3.213 7.294 ( -0.798 1.078 -2.920) 3.213 7.437 ( 1.837 -1.101 -2.442) 3.248 7.437 ( 1.837 1.101 -2.442) 3.248 7.560 ( -1.461 -1.370 1.524) 2.517 7.560 ( -1.461 1.370 1.524) 2.517 9.883 ( -0.818 -1.331 -1.417) 2.109 9.883 ( -0.818 1.331 -1.417) 2.109 9.961 ( 2.026 -2.006 -2.964) 4.112 9.961 ( 2.026 2.006 -2.964) 4.112 10.284 ( 0.166 -2.361 -0.167) 2.372 10.284 ( 0.166 2.361 -0.167) 2.372 10.410 ( -5.555 -1.979 0.177) 5.900 10.410 ( -5.555 1.979 0.177) 5.900 10.475 ( -11.173 -2.257 2.582) 11.688 10.475 ( -11.173 2.257 2.582) 11.688 10.659 ( -13.843 -3.761 1.985) 14.481 10.659 ( -13.843 3.761 1.985) 14.481 11.427 ( 13.027 -1.477 0.433) 13.118 11.427 ( 13.027 1.477 0.433) 13.118 11.463 ( 12.594 -4.107 -0.477) 13.255 11.463 ( 12.594 4.107 -0.477) 13.255 11.791 ( -0.887 -3.117 2.319) 3.985 11.791 ( -0.887 3.117 2.319) 3.985 11.931 ( -1.005 -6.068 1.731) 6.390 11.931 ( -1.005 6.068 1.731) 6.390 12.361 ( 6.257 -2.061 -2.953) 7.220 12.361 ( 6.257 2.061 -2.953) 7.220 12.735 ( -1.546 -6.319 -1.465) 6.669 12.735 ( -1.546 6.319 -1.465) 6.669 12.901 ( 1.007 -2.482 -1.177) 2.925 12.901 ( 1.007 2.482 -1.177) 2.925 12.972 ( 1.919 -3.298 -1.981) 4.299 12.972 ( 1.919 3.298 -1.981) 4.299 13.271 ( 1.122 -2.637 -0.835) 2.985 13.271 ( 1.122 2.637 -0.835) 2.985 13.474 ( 0.805 -2.417 2.846) 3.819 13.474 ( 0.805 2.417 2.846) 3.819 13.652 ( -1.907 -6.048 -8.295) 10.441 13.652 ( -1.907 6.048 -8.295) 10.441 13.769 ( 1.621 -2.758 -6.550) 7.289 13.769 ( 1.621 2.758 -6.550) 7.289 19.775 ( 2.035 -1.902 8.452) 8.899 19.775 ( 2.035 1.902 8.452) 8.899 20.125 ( -1.955 -6.690 2.269) 7.330 20.125 ( -1.955 6.690 2.269) 7.330 20.411 ( 0.834 -6.064 2.502) 6.612 20.411 ( 0.834 6.064 2.502) 6.612 20.737 ( 0.158 -3.494 1.471) 3.794 20.737 ( 0.158 3.494 1.471) 3.794 21.000 ( 1.374 -1.130 -1.516) 2.337 21.000 ( 1.374 1.130 -1.516) 2.337 21.155 ( -4.134 -2.021 -3.441) 5.746 21.155 ( -4.134 2.021 -3.441) 5.746 21.290 ( -0.158 -4.012 2.059) 4.513 21.290 ( -0.158 4.012 2.059) 4.513 21.482 ( -0.427 -1.289 0.403) 1.417 21.482 ( -0.427 1.289 0.403) 1.417 21.645 ( -3.313 -6.362 3.841) 8.137 21.645 ( -3.313 6.362 3.841) 8.137 21.958 ( 1.320 -8.007 9.938) 12.831 21.958 ( 1.320 8.007 9.938) 12.831 22.510 ( 3.722 -3.197 -3.176) 5.845 22.510 ( 3.722 3.197 -3.176) 5.845 22.765 ( 0.440 -7.997 -4.855) 9.365 22.765 ( 0.440 7.997 -4.855) 9.365 23.587 ( 1.391 -0.545 0.704) 1.652 23.587 ( 1.391 0.545 0.704) 1.652 23.678 ( -0.430 -1.830 0.079) 1.881 23.678 ( -0.430 1.830 0.079) 1.881 24.107 ( 1.647 -3.695 -0.577) 4.086 24.107 ( 1.647 3.695 -0.577) 4.086 24.274 ( -1.581 -6.612 -3.298) 7.556 24.274 ( -1.581 6.612 -3.298) 7.556 24.627 ( -0.044 -0.899 -0.402) 0.986 24.627 ( -0.044 0.899 -0.402) 0.986 24.699 ( 0.613 -5.153 -2.185) 5.630 24.699 ( 0.613 5.153 -2.185) 5.630 ======================= Grid point 88 (35/48) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 3.257 -8.713 13.887) 16.714 1.194 ( 3.257 8.713 13.887) 16.714 1.365 ( -1.416 -3.291 15.157) 15.574 1.365 ( -1.416 3.291 15.157) 15.574 1.561 ( 0.025 -2.248 7.863) 8.178 1.561 ( 0.025 2.248 7.863) 8.178 1.829 ( -4.174 -2.513 10.155) 11.263 1.829 ( -4.174 2.513 10.155) 11.263 2.069 ( -2.642 -3.362 -4.541) 6.237 2.069 ( -2.642 3.362 -4.541) 6.237 2.115 ( -2.349 -4.318 -4.150) 6.433 2.115 ( -2.349 4.318 -4.150) 6.433 2.293 ( -1.348 -2.708 -4.507) 5.428 2.293 ( -1.348 2.708 -4.507) 5.428 2.437 ( -6.751 -1.203 -1.433) 7.005 2.437 ( -6.751 1.203 -1.433) 7.005 2.553 ( 2.061 -4.309 5.420) 7.224 2.553 ( 2.061 4.309 5.420) 7.224 2.703 ( 0.788 -3.300 1.046) 3.551 2.703 ( 0.788 3.300 1.046) 3.551 2.740 ( 1.350 -3.544 1.202) 3.979 2.740 ( 1.350 3.544 1.202) 3.979 2.913 ( -2.339 -2.436 -1.182) 3.578 2.913 ( -2.339 2.436 -1.182) 3.578 2.965 ( -3.395 -2.710 -0.936) 4.444 2.965 ( -3.395 2.710 -0.936) 4.444 3.047 ( -1.285 -3.395 1.828) 4.064 3.047 ( -1.285 3.395 1.828) 4.064 3.196 ( 3.265 -3.520 -2.359) 5.349 3.196 ( 3.265 3.520 -2.359) 5.349 3.443 ( -0.552 -2.094 1.166) 2.460 3.443 ( -0.552 2.094 1.166) 2.460 3.478 ( 1.462 -1.279 2.998) 3.572 3.478 ( 1.462 1.279 2.998) 3.572 3.675 ( 1.494 -7.251 1.304) 7.518 3.675 ( 1.494 7.251 1.304) 7.518 3.717 ( -2.418 -5.367 0.001) 5.887 3.717 ( -2.418 5.367 0.001) 5.887 3.782 ( -2.547 -3.409 -2.893) 5.145 3.782 ( -2.547 3.409 -2.893) 5.145 3.836 ( 3.593 -4.800 2.387) 6.453 3.836 ( 3.593 4.800 2.387) 6.453 3.945 ( 0.428 -7.111 0.368) 7.133 3.945 ( 0.428 7.111 0.368) 7.133 3.984 ( -0.374 -0.305 2.760) 2.802 3.984 ( -0.374 0.305 2.760) 2.802 4.152 ( -3.650 -1.738 -1.008) 4.166 4.152 ( -3.650 1.738 -1.008) 4.166 4.374 ( 4.460 -6.103 2.368) 7.921 4.374 ( 4.460 6.103 2.368) 7.921 4.524 ( 2.313 -2.329 0.786) 3.375 4.524 ( 2.313 2.329 0.786) 3.375 4.604 ( 6.227 -5.897 -1.101) 8.647 4.604 ( 6.227 5.897 -1.101) 8.647 4.781 ( 9.195 -5.942 4.687) 11.909 4.781 ( 9.195 5.942 4.687) 11.909 4.839 ( 1.999 -4.504 0.706) 4.978 4.839 ( 1.999 4.504 0.706) 4.978 4.922 ( 1.620 -1.648 5.362) 5.839 4.922 ( 1.620 1.648 5.362) 5.839 5.171 ( 3.299 -3.192 1.045) 4.708 5.171 ( 3.299 3.192 1.045) 4.708 5.270 ( 1.212 -6.392 0.213) 6.510 5.270 ( 1.212 6.392 0.213) 6.510 5.396 ( 3.066 -3.970 -0.940) 5.103 5.396 ( 3.066 3.970 -0.940) 5.103 5.511 ( -2.651 -2.996 1.532) 4.284 5.511 ( -2.651 2.996 1.532) 4.284 5.589 ( 1.454 -3.086 1.215) 3.622 5.589 ( 1.454 3.086 1.215) 3.622 5.756 ( -4.158 -0.998 0.324) 4.288 5.756 ( -4.158 0.998 0.324) 4.288 5.904 ( -0.387 -5.911 -1.261) 6.056 5.904 ( -0.387 5.911 -1.261) 6.056 5.941 ( -2.596 -3.403 1.598) 4.569 5.941 ( -2.596 3.403 1.598) 4.569 6.055 ( 0.123 -2.657 2.230) 3.472 6.055 ( 0.123 2.657 2.230) 3.472 6.221 ( -2.423 -4.245 -0.244) 4.894 6.221 ( -2.423 4.245 -0.244) 4.894 6.370 ( -1.907 -2.072 -0.998) 2.987 6.370 ( -1.907 2.072 -0.998) 2.987 6.430 ( -3.930 -2.384 -2.653) 5.307 6.430 ( -3.930 2.384 -2.653) 5.307 6.634 ( 0.533 -1.388 -1.916) 2.426 6.634 ( 0.533 1.388 -1.916) 2.426 6.747 ( -4.333 -2.683 -1.841) 5.419 6.747 ( -4.333 2.683 -1.841) 5.419 7.181 ( 0.989 -3.449 -1.754) 3.994 7.181 ( 0.989 3.449 -1.754) 3.994 7.262 ( -2.314 -2.317 -2.485) 4.110 7.262 ( -2.314 2.317 -2.485) 4.110 7.480 ( 2.177 -0.933 -2.339) 3.328 7.480 ( 2.177 0.933 -2.339) 3.328 7.537 ( -0.877 -0.979 -0.026) 1.315 7.537 ( -0.877 0.979 -0.026) 1.315 9.892 ( 2.092 -1.815 0.708) 2.858 9.892 ( 2.092 1.815 0.708) 2.858 10.010 ( 2.931 -1.312 -1.675) 3.622 10.010 ( 2.931 1.312 -1.675) 3.622 10.177 ( -10.651 -1.686 0.836) 10.816 10.177 ( -10.651 1.686 0.836) 10.816 10.261 ( -7.459 -1.184 0.394) 7.563 10.261 ( -7.459 1.184 0.394) 7.563 10.363 ( -0.241 -2.394 1.125) 2.656 10.363 ( -0.241 2.394 1.125) 2.656 10.474 ( -5.207 -3.525 -1.251) 6.412 10.474 ( -5.207 3.525 -1.251) 6.412 11.632 ( 6.805 -5.022 1.131) 8.533 11.632 ( 6.805 5.022 1.131) 8.533 11.682 ( 9.381 -5.732 -0.145) 10.994 11.682 ( 9.381 5.732 -0.145) 10.994 11.768 ( -1.280 -3.370 1.906) 4.078 11.768 ( -1.280 3.370 1.906) 4.078 11.901 ( -2.202 -6.148 0.625) 6.560 11.901 ( -2.202 6.148 0.625) 6.560 12.503 ( 7.234 -3.265 -1.997) 8.184 12.503 ( 7.234 3.265 -1.997) 8.184 12.695 ( -2.585 -5.843 -1.689) 6.609 12.695 ( -2.585 5.843 -1.689) 6.609 12.931 ( 1.880 -2.616 -2.155) 3.876 12.931 ( 1.880 2.616 -2.155) 3.876 12.992 ( -0.179 -2.059 -2.125) 2.964 12.992 ( -0.179 2.059 -2.125) 2.964 13.314 ( 3.197 -3.226 0.621) 4.584 13.314 ( 3.197 3.226 0.621) 4.584 13.457 ( -2.694 -4.056 2.036) 5.277 13.457 ( -2.694 4.056 2.036) 5.277 13.661 ( 2.708 -4.678 -6.205) 8.229 13.661 ( 2.708 4.678 -6.205) 8.229 13.774 ( -1.185 -3.573 -5.600) 6.747 13.774 ( -1.185 3.573 -5.600) 6.747 19.836 ( 4.141 -2.226 9.836) 10.902 19.836 ( 4.141 2.226 9.836) 10.902 20.048 ( -5.424 -6.305 8.844) 12.140 20.048 ( -5.424 6.305 8.844) 12.140 20.476 ( 5.467 -4.855 -0.426) 7.324 20.476 ( 5.467 4.855 -0.426) 7.324 20.711 ( -3.574 -7.809 1.597) 8.735 20.711 ( -3.574 7.809 1.597) 8.735 21.020 ( 0.946 -3.057 -2.274) 3.925 21.020 ( 0.946 3.057 -2.274) 3.925 21.085 ( -2.018 -2.536 -2.572) 4.138 21.085 ( -2.018 2.536 -2.572) 4.138 21.312 ( 2.157 -4.173 0.775) 4.761 21.312 ( 2.157 4.173 0.775) 4.761 21.459 ( -3.407 -4.125 -0.895) 5.425 21.459 ( -3.407 4.125 -0.895) 5.425 21.629 ( 3.180 -4.207 0.620) 5.310 21.629 ( 3.180 4.207 0.620) 5.310 21.894 ( -6.586 -3.491 6.435) 9.847 21.894 ( -6.586 3.491 6.435) 9.847 22.616 ( 5.708 -3.489 -4.430) 8.023 22.616 ( 5.708 3.489 -4.430) 8.023 22.757 ( -1.425 -5.844 -3.485) 6.952 22.757 ( -1.425 5.844 -3.485) 6.952 23.619 ( 1.655 -1.109 0.485) 2.050 23.619 ( 1.655 1.109 0.485) 2.050 23.666 ( -0.735 -1.768 0.132) 1.920 23.666 ( -0.735 1.768 0.132) 1.920 24.148 ( 2.328 -4.238 -1.086) 4.956 24.148 ( 2.328 4.238 -1.086) 4.956 24.236 ( -2.074 -6.062 -2.478) 6.869 24.236 ( -2.074 6.062 -2.478) 6.869 24.640 ( 1.309 -2.012 -0.452) 2.443 24.640 ( 1.309 2.012 -0.452) 2.443 24.697 ( -0.789 -4.361 -2.205) 4.950 24.697 ( -0.789 4.361 -2.205) 4.950 ======================= Grid point 90 (36/48) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -5.052 -3.861 14.127) 15.492 1.276 ( 4.520 -3.693 14.127) 15.285 1.276 ( -4.520 3.693 14.127) 15.285 1.276 ( 5.052 3.861 14.127) 15.492 1.682 ( -9.453 -4.177 8.660) 13.483 1.682 ( -7.909 3.278 8.660) 12.177 1.682 ( 7.909 -3.278 8.660) 12.177 1.682 ( 9.453 4.177 8.660) 13.483 2.075 ( -2.862 -2.849 -6.230) 7.424 2.075 ( 2.399 -2.740 -6.230) 7.216 2.075 ( -2.399 2.740 -6.230) 7.216 2.075 ( 2.862 2.849 -6.230) 7.424 2.303 ( -3.210 -2.802 0.274) 4.270 2.303 ( -1.042 -2.356 0.274) 2.590 2.303 ( 1.042 2.356 0.274) 2.590 2.303 ( 3.210 2.802 0.274) 4.270 2.641 ( -4.841 -5.322 0.383) 7.204 2.641 ( 4.804 -5.314 0.383) 7.174 2.641 ( -4.804 5.314 0.383) 7.174 2.641 ( 4.841 5.322 0.383) 7.204 2.826 ( -5.282 -3.927 -1.597) 6.772 2.826 ( 2.583 -3.180 -1.597) 4.397 2.826 ( -2.583 3.180 -1.597) 4.397 2.826 ( 5.282 3.927 -1.597) 6.773 2.992 ( -3.503 -2.065 2.230) 4.638 2.992 ( -1.669 -1.376 2.230) 3.107 2.992 ( 1.669 1.376 2.230) 3.107 2.992 ( 3.503 2.065 2.230) 4.638 3.319 ( -7.811 -4.986 -2.742) 9.664 3.319 ( 2.864 -3.415 -2.742) 5.232 3.319 ( -2.864 3.415 -2.742) 5.232 3.319 ( 7.811 4.986 -2.742) 9.664 3.603 ( -6.896 -6.340 3.873) 10.137 3.603 ( 4.321 -5.742 3.873) 8.164 3.603 ( -4.321 5.742 3.873) 8.164 3.603 ( 6.896 6.340 3.873) 10.137 3.710 ( -2.016 -3.961 -0.126) 4.446 3.710 ( 2.016 -3.961 -0.126) 4.446 3.710 ( -2.016 3.961 -0.126) 4.446 3.710 ( 2.016 3.961 -0.126) 4.446 3.925 ( -3.057 -4.744 1.668) 5.885 3.925 ( 2.900 -4.719 1.668) 5.784 3.925 ( -2.900 4.719 1.668) 5.784 3.925 ( 3.057 4.744 1.668) 5.885 4.046 ( -5.680 -3.619 2.409) 7.152 4.046 ( 1.054 -2.304 2.409) 3.496 4.046 ( -1.054 2.304 2.409) 3.496 4.046 ( 5.680 3.619 2.409) 7.152 4.477 ( -3.944 -6.875 3.022) 8.483 4.477 ( 1.850 -6.651 3.022) 7.536 4.477 ( -1.850 6.651 3.022) 7.536 4.477 ( 3.944 6.875 3.022) 8.483 4.773 ( -7.671 -4.178 -2.463) 9.075 4.773 ( 6.903 -3.829 -2.463) 8.269 4.773 ( -6.903 3.829 -2.463) 8.269 4.773 ( 7.671 4.178 -2.463) 9.075 4.907 ( -3.495 -3.958 7.899) 9.502 4.907 ( 3.347 -3.926 7.899) 9.435 4.907 ( -3.347 3.926 7.899) 9.435 4.907 ( 3.495 3.958 7.899) 9.502 5.248 ( -4.584 -6.201 1.662) 7.888 5.248 ( 4.453 -6.177 1.662) 7.794 5.248 ( -4.453 6.177 1.662) 7.794 5.248 ( 4.584 6.201 1.662) 7.888 5.455 ( -3.032 -1.157 -0.651) 3.310 5.455 ( -1.969 0.099 -0.651) 2.077 5.455 ( 1.969 -0.099 -0.651) 2.077 5.455 ( 3.032 1.157 -0.651) 3.310 5.662 ( -4.431 -6.047 -1.140) 7.582 5.662 ( 2.175 -5.730 -1.140) 6.234 5.662 ( -2.175 5.730 -1.140) 6.234 5.662 ( 4.431 6.047 -1.140) 7.582 5.898 ( -0.433 -4.571 -1.279) 4.766 5.898 ( 0.265 -4.567 -1.279) 4.751 5.898 ( -0.265 4.567 -1.279) 4.751 5.898 ( 0.433 4.571 -1.279) 4.766 6.133 ( -5.808 -2.327 1.598) 6.457 6.133 ( -4.602 1.508 1.598) 5.099 6.133 ( 4.602 -1.508 1.598) 5.099 6.133 ( 5.808 2.327 1.598) 6.457 6.371 ( -1.876 -3.272 -1.999) 4.269 6.371 ( 1.837 -3.267 -1.999) 4.247 6.371 ( -1.837 3.267 -1.999) 4.247 6.371 ( 1.876 3.272 -1.999) 4.269 6.670 ( -2.632 -1.755 -2.079) 3.785 6.670 ( -0.872 -1.241 -2.079) 2.574 6.670 ( 0.872 1.241 -2.079) 2.574 6.670 ( 2.632 1.755 -2.079) 3.785 7.214 ( -2.007 -4.095 -2.361) 5.135 7.214 ( 1.612 -4.051 -2.361) 4.958 7.214 ( -1.612 4.051 -2.361) 4.958 7.214 ( 2.007 4.095 -2.361) 5.135 7.516 ( -0.977 -1.926 -1.531) 2.647 7.516 ( 0.173 -1.865 -1.531) 2.419 7.516 ( -0.173 1.865 -1.531) 2.419 7.516 ( 0.977 1.926 -1.531) 2.647 9.977 ( -6.367 -1.823 2.439) 7.058 9.977 ( -6.352 1.809 2.439) 7.040 9.977 ( 6.352 -1.809 2.439) 7.040 9.977 ( 6.367 1.823 2.439) 7.058 10.118 ( -5.556 -1.351 -1.655) 5.953 10.118 ( -5.508 1.301 -1.655) 5.897 10.118 ( 5.508 -1.301 -1.655) 5.897 10.118 ( 5.556 1.351 -1.655) 5.953 10.399 ( -2.842 -2.827 -0.593) 4.052 10.399 ( 2.572 -2.762 -0.593) 3.821 10.399 ( -2.572 2.762 -0.593) 3.821 10.399 ( 2.842 2.827 -0.593) 4.052 11.721 ( -2.831 -5.220 1.833) 6.215 11.721 ( 2.813 -5.218 1.833) 6.204 11.721 ( -2.813 5.218 1.833) 6.204 11.721 ( 2.831 5.220 1.833) 6.215 11.833 ( -4.860 -6.093 -0.166) 7.795 11.833 ( 4.143 -5.959 -0.166) 7.260 11.833 ( -4.143 5.959 -0.166) 7.260 11.833 ( 4.860 6.093 -0.166) 7.795 12.624 ( -4.421 -5.840 -1.552) 7.487 12.624 ( 3.015 -5.611 -1.552) 6.556 12.624 ( -3.015 5.611 -1.552) 6.556 12.624 ( 4.421 5.840 -1.552) 7.487 12.970 ( -1.100 -4.443 -2.517) 5.224 12.970 ( 0.505 -4.416 -2.517) 5.108 12.970 ( -0.505 4.416 -2.517) 5.108 12.970 ( 1.100 4.443 -2.517) 5.224 13.388 ( -3.890 -4.205 1.254) 5.864 13.388 ( 3.688 -4.159 1.254) 5.698 13.388 ( -3.688 4.159 1.254) 5.698 13.388 ( 3.890 4.205 1.254) 5.864 13.727 ( -2.925 -4.808 -4.919) 7.475 13.727 ( 2.012 -4.690 -4.919) 7.088 13.727 ( -2.012 4.690 -4.919) 7.088 13.727 ( 2.925 4.808 -4.919) 7.475 19.934 ( -5.503 -3.985 10.665) 12.645 19.934 ( 3.376 -3.341 10.665) 11.675 19.934 ( -3.376 3.341 10.665) 11.675 19.934 ( 5.503 3.985 10.665) 12.645 20.602 ( -6.421 -8.020 -0.307) 10.278 20.602 ( 5.402 -7.830 -0.307) 9.517 20.602 ( -5.402 7.830 -0.307) 9.517 20.602 ( 6.421 8.020 -0.307) 10.278 21.051 ( -1.626 -3.465 -2.276) 4.453 21.051 ( 1.259 -3.426 -2.276) 4.302 21.051 ( -1.259 3.426 -2.276) 4.302 21.051 ( 1.626 3.465 -2.276) 4.453 21.374 ( -4.122 -3.690 -0.515) 5.556 21.374 ( 4.043 -3.668 -0.515) 5.483 21.374 ( -4.043 3.668 -0.515) 5.483 21.374 ( 4.122 3.690 -0.515) 5.556 21.746 ( -5.466 -3.711 2.378) 7.022 21.746 ( -4.013 -3.214 2.378) 5.665 21.746 ( 4.013 3.214 2.378) 5.665 21.746 ( 5.466 3.711 2.378) 7.022 22.708 ( -2.717 -6.689 -3.691) 8.109 22.708 ( 1.672 -6.603 -3.691) 7.747 22.708 ( -1.672 6.603 -3.691) 7.747 22.708 ( 2.717 6.689 -3.691) 8.109 23.647 ( -1.135 -1.650 0.245) 2.018 23.647 ( 0.978 -1.624 0.245) 1.912 23.647 ( -0.978 1.624 0.245) 1.912 23.647 ( 1.135 1.650 0.245) 2.018 24.194 ( -2.212 -5.129 -1.677) 5.832 24.194 ( 2.211 -5.129 -1.677) 5.832 24.194 ( -2.211 5.129 -1.677) 5.832 24.194 ( 2.212 5.129 -1.677) 5.832 24.671 ( -1.532 -3.550 -1.353) 4.096 24.671 ( 1.371 -3.534 -1.353) 4.024 24.671 ( -1.371 3.534 -1.353) 4.024 24.671 ( 1.532 3.550 -1.353) 4.096 ======================= Grid point 105 (37/48) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.000 0.000 18.502) 18.502 1.419 ( 0.000 0.000 -18.010) 18.010 1.496 ( 0.000 0.000 20.684) 20.684 1.675 ( 0.000 0.000 8.104) 8.104 1.781 ( 0.000 0.000 7.136) 7.136 1.836 ( 0.000 0.000 -12.623) 12.623 1.873 ( 0.000 0.000 -9.666) 9.666 1.875 ( 0.000 0.000 17.002) 17.002 1.913 ( 0.000 0.000 -5.824) 5.824 2.044 ( 0.000 0.000 12.300) 12.300 2.203 ( 0.000 0.000 -13.977) 13.977 2.276 ( 0.000 0.000 -8.602) 8.602 2.485 ( 0.000 0.000 10.581) 10.581 2.516 ( 0.000 0.000 2.624) 2.624 2.538 ( 0.000 0.000 13.746) 13.746 2.542 ( 0.000 0.000 10.978) 10.978 2.597 ( 0.000 0.000 0.407) 0.407 2.613 ( 0.000 0.000 0.615) 0.615 2.742 ( 0.000 0.000 -3.961) 3.961 2.772 ( 0.000 0.000 -7.354) 7.354 2.867 ( 0.000 0.000 6.908) 6.908 2.936 ( 0.000 0.000 0.833) 0.833 2.961 ( 0.000 0.000 0.006) 0.006 2.999 ( 0.000 0.000 1.078) 1.078 3.033 ( 0.000 0.000 -1.900) 1.900 3.036 ( 0.000 0.000 -1.567) 1.567 3.163 ( 0.000 0.000 -1.719) 1.719 3.168 ( 0.000 0.000 -7.598) 7.598 3.185 ( 0.000 0.000 1.865) 1.865 3.218 ( 0.000 0.000 -1.555) 1.555 3.336 ( 0.000 0.000 10.955) 10.955 3.428 ( 0.000 0.000 -3.119) 3.119 3.431 ( 0.000 0.000 7.218) 7.218 3.445 ( 0.000 0.000 5.070) 5.070 3.562 ( 0.000 0.000 6.671) 6.671 3.614 ( 0.000 0.000 -9.826) 9.826 3.632 ( 0.000 0.000 6.584) 6.584 3.688 ( 0.000 0.000 -10.087) 10.087 3.723 ( 0.000 0.000 -7.396) 7.396 3.799 ( 0.000 0.000 -1.158) 1.158 3.804 ( 0.000 0.000 3.217) 3.217 3.854 ( 0.000 0.000 3.965) 3.965 3.883 ( 0.000 0.000 -15.262) 15.262 3.926 ( 0.000 0.000 -1.627) 1.627 3.954 ( 0.000 0.000 2.777) 2.777 4.063 ( 0.000 0.000 -5.481) 5.481 4.067 ( 0.000 0.000 3.238) 3.238 4.096 ( 0.000 0.000 -1.798) 1.798 4.154 ( 0.000 0.000 2.086) 2.086 4.256 ( 0.000 0.000 -4.238) 4.238 4.279 ( 0.000 0.000 2.463) 2.463 4.306 ( 0.000 0.000 3.673) 3.673 4.403 ( 0.000 0.000 -2.970) 2.970 4.450 ( 0.000 0.000 -3.749) 3.749 4.606 ( 0.000 0.000 11.869) 11.869 4.751 ( 0.000 0.000 -1.711) 1.711 4.795 ( 0.000 0.000 3.203) 3.203 4.833 ( 0.000 0.000 5.960) 5.960 4.898 ( 0.000 0.000 -0.320) 0.320 4.953 ( 0.000 0.000 1.880) 1.880 4.961 ( 0.000 0.000 -9.638) 9.638 5.013 ( 0.000 0.000 -4.313) 4.313 5.170 ( 0.000 0.000 3.074) 3.074 5.237 ( 0.000 0.000 -3.141) 3.141 5.339 ( 0.000 0.000 4.501) 4.501 5.419 ( 0.000 0.000 -2.020) 2.020 5.527 ( 0.000 0.000 3.775) 3.775 5.572 ( 0.000 0.000 -0.837) 0.837 5.704 ( 0.000 0.000 7.775) 7.775 5.815 ( 0.000 0.000 -0.364) 0.364 5.819 ( 0.000 0.000 9.361) 9.361 5.910 ( 0.000 0.000 2.205) 2.205 5.965 ( 0.000 0.000 3.233) 3.233 5.993 ( 0.000 0.000 -3.797) 3.797 6.065 ( 0.000 0.000 8.572) 8.572 6.073 ( 0.000 0.000 -1.891) 1.891 6.109 ( 0.000 0.000 6.244) 6.244 6.169 ( 0.000 0.000 -5.768) 5.768 6.201 ( 0.000 0.000 -3.772) 3.772 6.309 ( 0.000 0.000 -11.282) 11.282 6.336 ( 0.000 0.000 4.986) 4.986 6.420 ( 0.000 0.000 -3.489) 3.489 6.520 ( 0.000 0.000 1.081) 1.081 6.547 ( 0.000 0.000 -1.018) 1.018 6.637 ( 0.000 0.000 -0.438) 0.438 6.660 ( 0.000 0.000 -2.225) 2.225 6.731 ( 0.000 0.000 2.635) 2.635 6.824 ( 0.000 0.000 -5.579) 5.579 7.137 ( 0.000 0.000 1.973) 1.973 7.184 ( 0.000 0.000 -2.991) 2.991 7.247 ( 0.000 0.000 0.680) 0.680 7.268 ( 0.000 0.000 -0.483) 0.483 7.346 ( 0.000 0.000 0.008) 0.008 7.377 ( 0.000 0.000 -2.110) 2.110 7.590 ( 0.000 0.000 1.340) 1.340 7.617 ( 0.000 0.000 -1.432) 1.432 9.848 ( 0.000 0.000 0.715) 0.715 9.857 ( 0.000 0.000 0.466) 0.466 9.877 ( 0.000 0.000 -1.649) 1.649 9.910 ( 0.000 0.000 -5.174) 5.174 10.264 ( 0.000 0.000 1.813) 1.813 10.310 ( 0.000 0.000 -2.510) 2.510 10.445 ( 0.000 0.000 0.059) 0.059 10.458 ( 0.000 0.000 -0.982) 0.982 10.636 ( 0.000 0.000 0.761) 0.761 10.643 ( 0.000 0.000 0.017) 0.017 11.014 ( 0.000 0.000 2.867) 2.867 11.033 ( 0.000 0.000 0.845) 0.845 11.191 ( 0.000 0.000 1.228) 1.228 11.212 ( 0.000 0.000 -0.899) 0.899 11.276 ( 0.000 0.000 -0.278) 0.278 11.280 ( 0.000 0.000 -0.422) 0.422 11.769 ( 0.000 0.000 1.250) 1.250 11.773 ( 0.000 0.000 1.101) 1.101 12.045 ( 0.000 0.000 5.037) 5.037 12.136 ( 0.000 0.000 -3.502) 3.502 12.173 ( 0.000 0.000 0.194) 0.194 12.185 ( 0.000 0.000 -1.303) 1.303 12.622 ( 0.000 0.000 3.536) 3.536 12.707 ( 0.000 0.000 -4.719) 4.719 12.871 ( 0.000 0.000 -0.104) 0.104 12.878 ( 0.000 0.000 -0.821) 0.821 13.054 ( 0.000 0.000 0.562) 0.562 13.079 ( 0.000 0.000 -1.824) 1.824 13.087 ( 0.000 0.000 -0.084) 0.084 13.115 ( 0.000 0.000 -2.779) 2.779 13.490 ( 0.000 0.000 4.627) 4.627 13.498 ( 0.000 0.000 4.605) 4.605 13.592 ( 0.000 0.000 -4.434) 4.434 13.612 ( 0.000 0.000 2.994) 2.994 13.626 ( 0.000 0.000 -9.320) 9.320 13.684 ( 0.000 0.000 -4.038) 4.038 19.903 ( 0.000 0.000 8.049) 8.049 19.967 ( 0.000 0.000 6.889) 6.889 20.008 ( 0.000 0.000 -1.195) 1.195 20.104 ( 0.000 0.000 -6.206) 6.206 20.317 ( 0.000 0.000 3.773) 3.773 20.420 ( 0.000 0.000 -5.678) 5.678 20.789 ( 0.000 0.000 0.518) 0.518 20.824 ( 0.000 0.000 -3.191) 3.191 20.975 ( 0.000 0.000 2.085) 2.085 21.030 ( 0.000 0.000 -2.964) 2.964 21.106 ( 0.000 0.000 2.901) 2.901 21.178 ( 0.000 0.000 -4.079) 4.079 21.272 ( 0.000 0.000 0.005) 0.005 21.278 ( 0.000 0.000 -0.626) 0.626 21.562 ( 0.000 0.000 2.403) 2.403 21.594 ( 0.000 0.000 -0.385) 0.385 21.881 ( 0.000 0.000 8.511) 8.511 21.926 ( 0.000 0.000 14.568) 14.568 22.009 ( 0.000 0.000 -4.323) 4.323 22.217 ( 0.000 0.000 -12.492) 12.492 22.350 ( 0.000 0.000 6.465) 6.465 22.438 ( 0.000 0.000 -3.788) 3.788 22.452 ( 0.000 0.000 13.262) 13.262 22.731 ( 0.000 0.000 -13.771) 13.771 23.582 ( 0.000 0.000 0.509) 0.509 23.588 ( 0.000 0.000 0.078) 0.078 23.674 ( 0.000 0.000 1.610) 1.610 23.710 ( 0.000 0.000 -1.789) 1.789 24.055 ( 0.000 0.000 3.924) 3.924 24.124 ( 0.000 0.000 -2.648) 2.648 24.165 ( 0.000 0.000 4.596) 4.596 24.288 ( 0.000 0.000 -7.320) 7.320 24.565 ( 0.000 0.000 1.416) 1.416 24.600 ( 0.000 0.000 -2.141) 2.141 24.652 ( 0.000 0.000 3.314) 3.314 24.735 ( 0.000 0.000 -4.556) 4.556 ======================= Grid point 106 (38/48) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 4.850 0.000 17.479) 18.139 1.430 ( 1.069 0.000 -13.927) 13.968 1.539 ( 4.075 0.000 17.106) 17.584 1.634 ( -1.975 0.000 7.346) 7.607 1.752 ( -3.973 0.000 9.093) 9.923 1.788 ( -5.268 0.000 -1.628) 5.514 1.844 ( -1.734 0.000 6.710) 6.930 1.885 ( -0.763 0.000 -8.581) 8.615 1.942 ( 1.837 0.000 -1.091) 2.137 2.063 ( 2.842 0.000 2.022) 3.488 2.151 ( -4.578 0.000 -11.299) 12.191 2.192 ( -8.142 0.000 -5.607) 9.886 2.430 ( -4.978 0.000 10.930) 12.010 2.490 ( -2.660 0.000 1.744) 3.181 2.502 ( -1.109 0.000 5.183) 5.300 2.538 ( -6.886 0.000 2.289) 7.256 2.548 ( 1.461 0.000 8.093) 8.223 2.567 ( -3.256 0.000 1.699) 3.673 2.686 ( -3.446 0.000 -2.664) 4.356 2.736 ( -0.586 0.000 -4.394) 4.433 2.874 ( -7.784 0.000 4.500) 8.991 2.883 ( -2.099 0.000 2.743) 3.454 2.904 ( -1.052 0.000 -0.647) 1.235 2.991 ( -2.868 0.000 0.514) 2.913 3.007 ( -1.245 0.000 4.698) 4.860 3.045 ( -9.568 0.000 -4.517) 10.580 3.081 ( -0.660 0.000 -1.691) 1.815 3.095 ( -2.489 0.000 -7.840) 8.226 3.193 ( 0.584 0.000 1.288) 1.415 3.230 ( 1.007 0.000 -2.189) 2.410 3.366 ( 0.948 0.000 7.364) 7.424 3.397 ( -4.381 0.000 2.173) 4.890 3.439 ( 4.702 0.000 7.491) 8.845 3.498 ( 0.985 0.000 -1.724) 1.986 3.535 ( 1.415 0.000 -3.849) 4.101 3.629 ( 0.998 0.000 5.345) 5.437 3.647 ( 2.377 0.000 -9.116) 9.421 3.667 ( -2.093 0.000 -0.722) 2.214 3.733 ( 0.123 0.000 -2.048) 2.052 3.843 ( 0.518 0.000 -3.490) 3.528 3.866 ( 3.624 0.000 3.624) 5.126 3.898 ( 0.032 0.000 -4.804) 4.804 3.936 ( 4.002 0.000 0.243) 4.009 3.946 ( 1.364 0.000 -2.083) 2.489 4.051 ( 9.211 0.000 0.861) 9.251 4.103 ( 9.513 0.000 -3.412) 10.106 4.133 ( 4.872 0.000 6.153) 7.848 4.190 ( 6.445 0.000 0.828) 6.498 4.229 ( -2.208 0.000 -0.453) 2.255 4.253 ( 11.321 0.000 -0.262) 11.324 4.304 ( 6.310 0.000 -2.713) 6.869 4.305 ( -1.274 0.000 -2.042) 2.407 4.417 ( 2.472 0.000 0.410) 2.506 4.480 ( 2.932 0.000 -4.199) 5.121 4.678 ( 5.659 0.000 11.530) 12.844 4.807 ( 3.605 0.000 2.574) 4.430 4.852 ( 5.563 0.000 -1.611) 5.792 4.866 ( 2.870 0.000 6.195) 6.828 4.927 ( 4.497 0.000 0.970) 4.601 4.974 ( 1.242 0.000 -8.189) 8.283 4.991 ( 2.530 0.000 1.510) 2.947 5.026 ( -0.072 0.000 -1.781) 1.782 5.226 ( 4.217 0.000 0.904) 4.313 5.270 ( 3.107 0.000 -3.051) 4.354 5.332 ( -0.798 0.000 3.408) 3.501 5.414 ( -0.826 0.000 -2.885) 3.001 5.494 ( -1.017 0.000 6.409) 6.489 5.609 ( 2.331 0.000 -4.250) 4.847 5.701 ( 0.028 0.000 6.677) 6.677 5.777 ( -2.932 0.000 10.003) 10.424 5.791 ( -1.817 0.000 0.021) 1.817 5.902 ( -0.727 0.000 2.352) 2.462 5.944 ( -2.565 0.000 1.551) 2.997 5.982 ( -1.221 0.000 -3.534) 3.739 6.024 ( -4.754 0.000 -1.153) 4.892 6.052 ( -1.361 0.000 6.665) 6.802 6.067 ( -2.928 0.000 1.972) 3.531 6.158 ( -4.833 0.000 -2.818) 5.594 6.217 ( 3.274 0.000 -3.736) 4.967 6.294 ( -1.160 0.000 -8.852) 8.927 6.304 ( -2.239 0.000 5.981) 6.386 6.394 ( -2.498 0.000 -3.227) 4.081 6.483 ( -3.497 0.000 0.274) 3.508 6.500 ( -4.113 0.000 -1.122) 4.263 6.579 ( -4.069 0.000 -0.168) 4.073 6.616 ( -3.714 0.000 -3.318) 4.980 6.726 ( -1.212 0.000 3.106) 3.334 6.818 ( -1.367 0.000 -4.935) 5.121 7.114 ( -2.055 0.000 1.947) 2.831 7.162 ( -2.045 0.000 -3.059) 3.680 7.234 ( -0.824 0.000 1.061) 1.344 7.268 ( -0.210 0.000 -1.507) 1.522 7.361 ( 1.395 0.000 -0.382) 1.446 7.388 ( 0.978 0.000 -2.186) 2.395 7.582 ( -0.696 0.000 1.260) 1.440 7.604 ( -1.033 0.000 -0.903) 1.372 9.858 ( 0.487 0.000 1.365) 1.450 9.866 ( 1.938 0.000 1.083) 2.220 9.895 ( 1.553 0.000 -2.223) 2.711 9.928 ( 1.888 0.000 -4.801) 5.159 10.269 ( 0.361 0.000 1.755) 1.792 10.313 ( 0.122 0.000 -2.392) 2.396 10.420 ( -2.328 0.000 1.064) 2.559 10.445 ( -1.699 0.000 -1.561) 2.307 10.445 ( -14.208 0.000 1.606) 14.298 10.473 ( -13.425 0.000 -1.038) 13.465 10.702 ( -18.187 0.000 3.931) 18.607 10.758 ( -16.630 0.000 -1.680) 16.714 11.346 ( 10.934 0.000 1.084) 10.988 11.362 ( 11.005 0.000 -0.596) 11.021 11.531 ( 15.116 0.000 1.737) 15.216 11.565 ( 15.491 0.000 -1.828) 15.599 11.756 ( -0.963 0.000 1.899) 2.129 11.773 ( -0.196 0.000 0.193) 0.275 12.038 ( -0.551 0.000 5.011) 5.041 12.134 ( -0.416 0.000 -4.048) 4.069 12.219 ( 4.427 0.000 0.752) 4.490 12.241 ( 5.220 0.000 -1.588) 5.457 12.618 ( -0.445 0.000 3.381) 3.410 12.701 ( -0.610 0.000 -4.773) 4.812 12.864 ( -0.226 0.000 0.055) 0.233 12.876 ( 0.052 0.000 -1.113) 1.114 13.085 ( -0.165 0.000 0.009) 0.165 13.112 ( -0.282 0.000 -2.580) 2.596 13.120 ( 5.176 0.000 -0.020) 5.176 13.134 ( 5.185 0.000 -1.246) 5.333 13.485 ( -0.576 0.000 4.985) 5.019 13.504 ( 0.606 0.000 3.955) 4.001 13.588 ( -0.432 0.000 -4.086) 4.109 13.600 ( 0.806 0.000 -1.310) 1.538 13.644 ( -0.593 0.000 -4.436) 4.475 13.697 ( 1.673 0.000 -4.680) 4.970 19.926 ( 2.219 0.000 8.139) 8.436 20.006 ( 4.095 0.000 8.246) 9.207 20.027 ( 1.645 0.000 -0.457) 1.708 20.161 ( 5.438 0.000 -6.591) 8.545 20.308 ( -0.721 0.000 3.026) 3.111 20.405 ( -1.483 0.000 -5.505) 5.701 20.815 ( 2.378 0.000 0.001) 2.378 20.842 ( 1.786 0.000 -2.811) 3.331 20.985 ( -0.277 0.000 3.428) 3.439 21.043 ( 1.090 0.000 -2.249) 2.500 21.134 ( 2.857 0.000 2.621) 3.878 21.165 ( -9.555 0.000 3.699) 10.246 21.198 ( 2.138 0.000 -3.582) 4.172 21.221 ( -6.622 0.000 -2.022) 6.924 21.500 ( -2.235 0.000 2.410) 3.287 21.548 ( -3.268 0.000 -1.766) 3.715 21.822 ( -8.896 0.000 11.570) 14.595 21.889 ( -0.008 0.000 6.532) 6.532 21.981 ( -2.675 0.000 -2.499) 3.661 22.036 ( -13.064 0.000 -7.593) 15.110 22.438 ( 5.151 0.000 3.521) 6.240 22.509 ( 4.506 0.000 -3.469) 5.687 22.552 ( 7.735 0.000 7.302) 10.638 22.749 ( 1.457 0.000 -11.230) 11.324 23.595 ( 1.132 0.000 0.689) 1.326 23.606 ( 1.616 0.000 -0.359) 1.655 23.669 ( -0.451 0.000 1.638) 1.699 23.706 ( -0.408 0.000 -1.807) 1.853 24.060 ( 0.523 0.000 3.495) 3.534 24.118 ( -0.471 0.000 -1.314) 1.396 24.178 ( 1.085 0.000 2.884) 3.081 24.281 ( -0.684 0.000 -6.503) 6.539 24.563 ( -0.029 0.000 0.906) 0.907 24.587 ( -0.785 0.000 -1.287) 1.508 24.672 ( 1.445 0.000 2.293) 2.710 24.741 ( 0.383 0.000 -4.204) 4.222 ======================= Grid point 107 (39/48) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 8.614 0.000 14.389) 16.770 1.466 ( 2.673 0.000 -5.614) 6.218 1.592 ( -0.241 0.000 9.794) 9.797 1.630 ( -0.757 0.000 9.912) 9.941 1.631 ( -7.380 0.000 9.224) 11.813 1.724 ( 2.032 0.000 4.652) 5.076 1.769 ( -7.064 0.000 -3.722) 7.985 1.844 ( -1.535 0.000 -9.201) 9.328 1.980 ( 2.311 0.000 1.286) 2.645 2.020 ( -6.095 0.000 1.798) 6.354 2.071 ( -2.546 0.000 -3.972) 4.718 2.140 ( 4.784 0.000 -7.404) 8.815 2.344 ( -2.828 0.000 5.884) 6.529 2.347 ( -11.780 0.000 7.873) 14.169 2.407 ( -5.032 0.000 -0.085) 5.032 2.495 ( -5.153 0.000 0.005) 5.153 2.548 ( 2.415 0.000 -1.243) 2.716 2.596 ( -3.986 0.000 -2.630) 4.775 2.600 ( 3.331 0.000 6.281) 7.110 2.714 ( -2.292 0.000 3.692) 4.346 2.755 ( -2.383 0.000 -1.535) 2.835 2.824 ( -1.929 0.000 1.028) 2.186 2.854 ( -8.481 0.000 -4.043) 9.396 2.861 ( -2.631 0.000 -2.803) 3.845 2.969 ( 1.224 0.000 2.577) 2.853 3.002 ( 1.436 0.000 2.989) 3.316 3.034 ( -1.813 0.000 -0.951) 2.047 3.084 ( -0.280 0.000 -7.399) 7.404 3.202 ( -0.475 0.000 0.377) 0.607 3.224 ( -1.486 0.000 -2.155) 2.618 3.270 ( -4.796 0.000 1.859) 5.144 3.371 ( -4.605 0.000 -4.716) 6.592 3.490 ( 0.756 0.000 0.800) 1.101 3.552 ( 3.385 0.000 -2.941) 4.485 3.572 ( 5.698 0.000 8.065) 9.875 3.642 ( -3.202 0.000 4.809) 5.778 3.657 ( 1.278 0.000 4.737) 4.906 3.707 ( -2.655 0.000 -1.382) 2.993 3.711 ( 3.443 0.000 -5.049) 6.111 3.848 ( -1.126 0.000 -7.517) 7.601 3.898 ( 0.894 0.000 0.681) 1.124 3.907 ( 2.097 0.000 3.345) 3.948 3.946 ( -0.963 0.000 -3.535) 3.664 3.986 ( 2.908 0.000 -0.668) 2.984 4.111 ( -3.858 0.000 2.669) 4.691 4.205 ( -2.186 0.000 -2.436) 3.274 4.252 ( 12.767 0.000 10.745) 16.687 4.279 ( 1.125 0.000 2.967) 3.173 4.312 ( 1.526 0.000 1.271) 1.986 4.408 ( 14.065 0.000 -3.870) 14.588 4.489 ( 10.252 0.000 3.860) 10.954 4.529 ( 12.444 0.000 -2.042) 12.611 4.552 ( 10.704 0.000 0.666) 10.725 4.599 ( 8.914 0.000 -3.797) 9.689 4.768 ( 2.861 0.000 10.330) 10.719 4.863 ( 1.471 0.000 3.868) 4.139 4.908 ( 0.072 0.000 6.976) 6.976 4.958 ( 4.286 0.000 -4.039) 5.889 4.987 ( -1.685 0.000 0.345) 1.720 5.000 ( 1.276 0.000 -5.586) 5.729 5.011 ( -1.697 0.000 0.609) 1.803 5.027 ( 2.059 0.000 1.321) 2.447 5.283 ( 3.418 0.000 3.002) 4.549 5.314 ( -0.482 0.000 -0.664) 0.820 5.356 ( 3.861 0.000 -3.517) 5.223 5.371 ( -3.255 0.000 -4.333) 5.419 5.520 ( 3.171 0.000 6.081) 6.858 5.649 ( 1.163 0.000 -5.556) 5.676 5.715 ( 1.006 0.000 4.742) 4.848 5.760 ( -1.477 0.000 1.681) 2.238 5.760 ( 1.676 0.000 6.387) 6.604 5.865 ( -4.675 0.000 6.144) 7.721 5.870 ( -2.684 0.000 2.297) 3.533 5.907 ( -5.911 0.000 -4.303) 7.312 5.924 ( -5.157 0.000 -2.790) 5.863 5.994 ( -4.718 0.000 -4.867) 6.778 6.024 ( -0.493 0.000 2.663) 2.708 6.060 ( -2.451 0.000 -1.150) 2.708 6.261 ( 0.807 0.000 -1.793) 1.966 6.262 ( -2.046 0.000 5.037) 5.436 6.291 ( 1.108 0.000 -4.631) 4.762 6.320 ( -4.774 0.000 -0.732) 4.830 6.399 ( -3.816 0.000 -0.246) 3.824 6.424 ( -3.174 0.000 -3.288) 4.570 6.528 ( -0.510 0.000 -0.057) 0.513 6.564 ( -0.588 0.000 -2.783) 2.845 6.677 ( -3.194 0.000 2.794) 4.243 6.757 ( -4.568 0.000 -3.914) 6.016 7.074 ( -1.447 0.000 1.121) 1.831 7.112 ( -2.704 0.000 -2.642) 3.780 7.227 ( 0.228 0.000 0.130) 0.262 7.258 ( -0.761 0.000 -2.372) 2.491 7.393 ( 1.518 0.000 -0.987) 1.810 7.408 ( 0.822 0.000 -2.073) 2.230 7.571 ( -0.306 0.000 0.950) 0.999 7.585 ( -0.882 0.000 -0.312) 0.936 9.889 ( 2.944 0.000 2.392) 3.793 9.932 ( 4.948 0.000 1.724) 5.240 9.941 ( 3.312 0.000 -2.602) 4.212 9.989 ( 4.427 0.000 -3.742) 5.797 10.176 ( -11.994 0.000 2.136) 12.183 10.217 ( -11.357 0.000 -1.790) 11.497 10.246 ( -5.235 0.000 1.654) 5.490 10.271 ( -6.977 0.000 -0.710) 7.013 10.360 ( -2.489 0.000 1.343) 2.828 10.382 ( -2.547 0.000 -1.161) 2.799 10.454 ( -4.701 0.000 2.279) 5.224 10.514 ( -7.183 0.000 -3.219) 7.871 11.525 ( 6.720 0.000 1.598) 6.907 11.549 ( 6.823 0.000 -0.806) 6.871 11.736 ( -0.887 0.000 2.104) 2.284 11.762 ( 8.056 0.000 1.974) 8.294 11.763 ( -0.931 0.000 -0.602) 1.109 11.797 ( 7.499 0.000 -1.410) 7.630 12.033 ( 0.439 0.000 3.566) 3.593 12.112 ( -1.829 0.000 -3.836) 4.250 12.326 ( 5.582 0.000 1.745) 5.848 12.359 ( 5.516 0.000 -1.468) 5.708 12.608 ( -0.181 0.000 2.055) 2.063 12.678 ( -1.871 0.000 -4.540) 4.910 12.870 ( 0.703 0.000 -0.054) 0.705 12.881 ( 0.333 0.000 -1.118) 1.167 13.084 ( 0.065 0.000 0.014) 0.066 13.103 ( -0.631 0.000 -1.783) 1.892 13.212 ( 4.042 0.000 0.982) 4.160 13.246 ( 4.222 0.000 -2.253) 4.786 13.484 ( 1.230 0.000 5.277) 5.419 13.522 ( 1.212 0.000 2.012) 2.349 13.574 ( -1.009 0.000 -2.866) 3.039 13.607 ( -2.681 0.000 -3.629) 4.512 13.645 ( 3.055 0.000 -0.783) 3.153 13.722 ( 0.325 0.000 -5.531) 5.541 19.982 ( 3.154 0.000 8.006) 8.605 20.055 ( 0.588 0.000 2.598) 2.664 20.127 ( 7.887 0.000 10.259) 12.940 20.287 ( 5.671 0.000 -4.447) 7.206 20.299 ( 0.168 0.000 0.094) 0.192 20.366 ( -2.295 0.000 -4.999) 5.500 20.848 ( -10.089 0.000 10.424) 14.507 20.867 ( 2.533 0.000 -0.539) 2.589 20.886 ( 2.111 0.000 -2.395) 3.192 21.012 ( -11.817 0.000 -3.897) 12.443 21.070 ( 1.556 0.000 -1.316) 2.038 21.090 ( -0.214 0.000 -1.730) 1.743 21.217 ( 5.374 0.000 2.210) 5.811 21.266 ( 4.582 0.000 -2.457) 5.199 21.500 ( 1.342 0.000 0.623) 1.480 21.520 ( 0.140 0.000 -1.123) 1.132 21.633 ( -8.969 0.000 6.682) 11.184 21.766 ( -13.372 0.000 -5.291) 14.381 21.872 ( -1.275 0.000 3.498) 3.723 21.916 ( -3.459 0.000 -0.929) 3.582 22.522 ( 3.163 0.000 2.483) 4.021 22.566 ( 1.218 0.000 -1.745) 2.128 22.687 ( 5.238 0.000 1.060) 5.344 22.770 ( 0.380 0.000 -6.700) 6.711 23.620 ( 1.289 0.000 1.013) 1.639 23.641 ( 1.805 0.000 -1.063) 2.095 23.658 ( -0.682 0.000 1.627) 1.764 23.694 ( -0.813 0.000 -1.790) 1.965 24.076 ( 0.977 0.000 2.609) 2.786 24.109 ( -0.547 0.000 0.296) 0.622 24.204 ( 1.498 0.000 0.318) 1.531 24.262 ( -1.207 0.000 -4.599) 4.755 24.567 ( 0.361 0.000 0.052) 0.365 24.578 ( -0.210 0.000 -0.993) 1.015 24.700 ( 1.403 0.000 1.075) 1.767 24.742 ( -0.404 0.000 -2.906) 2.934 ======================= Grid point 108 (40/48) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -9.147 0.000 9.303) 13.046 1.418 ( 9.147 0.000 9.303) 13.046 1.594 ( -1.449 0.000 10.417) 10.518 1.594 ( 1.449 0.000 10.417) 10.518 1.607 ( -7.061 0.000 -2.021) 7.344 1.607 ( 7.061 0.000 -2.021) 7.344 1.789 ( -3.971 0.000 -6.352) 7.492 1.789 ( 3.971 0.000 -6.352) 7.492 2.031 ( -2.355 0.000 -0.188) 2.362 2.031 ( 2.355 0.000 -0.188) 2.362 2.092 ( -11.279 0.000 9.564) 14.788 2.092 ( 11.279 0.000 9.564) 14.788 2.298 ( -10.381 0.000 -7.891) 13.040 2.298 ( 10.381 0.000 -7.891) 13.040 2.332 ( -1.774 0.000 1.005) 2.039 2.332 ( 1.774 0.000 1.005) 2.039 2.581 ( -0.662 0.000 1.838) 1.954 2.581 ( 0.662 0.000 1.838) 1.953 2.665 ( -3.169 0.000 4.677) 5.650 2.665 ( 3.169 0.000 4.677) 5.650 2.749 ( -2.104 0.000 -2.460) 3.237 2.749 ( 2.104 0.000 -2.460) 3.237 2.822 ( -1.221 0.000 -2.461) 2.747 2.822 ( 1.221 0.000 -2.461) 2.747 3.029 ( -0.625 0.000 -0.069) 0.629 3.029 ( 0.625 0.000 -0.069) 0.629 3.033 ( -4.313 0.000 0.940) 4.414 3.033 ( 4.313 0.000 0.940) 4.414 3.189 ( -0.993 0.000 -2.033) 2.262 3.189 ( 0.993 0.000 -2.033) 2.262 3.264 ( -3.978 0.000 -6.914) 7.977 3.264 ( 3.978 0.000 -6.914) 7.977 3.554 ( -4.390 0.000 5.344) 6.916 3.554 ( 4.390 0.000 5.344) 6.916 3.634 ( -4.218 0.000 -2.572) 4.940 3.634 ( 4.218 0.000 -2.572) 4.940 3.644 ( -2.216 0.000 6.771) 7.124 3.644 ( 2.216 0.000 6.771) 7.124 3.792 ( -4.087 0.000 -4.641) 6.184 3.792 ( 4.087 0.000 -4.641) 6.184 3.922 ( -1.387 0.000 -2.185) 2.589 3.922 ( 1.387 0.000 -2.185) 2.589 3.980 ( -3.967 0.000 5.940) 7.143 3.980 ( 3.967 0.000 5.940) 7.143 4.121 ( -4.676 0.000 -5.593) 7.290 4.121 ( 4.676 0.000 -5.593) 7.290 4.310 ( -1.209 0.000 4.358) 4.523 4.310 ( 1.209 0.000 4.358) 4.523 4.478 ( -7.653 0.000 11.363) 13.700 4.478 ( 7.653 0.000 11.363) 13.700 4.635 ( -3.179 0.000 -1.234) 3.410 4.635 ( 3.179 0.000 -1.234) 3.410 4.722 ( -2.361 0.000 0.795) 2.491 4.722 ( 2.361 0.000 0.795) 2.491 4.836 ( -3.888 0.000 4.343) 5.830 4.836 ( 3.888 0.000 4.343) 5.830 4.895 ( -3.836 0.000 0.158) 3.839 4.895 ( 3.836 0.000 0.158) 3.839 5.013 ( -0.919 0.000 -5.663) 5.737 5.013 ( 0.919 0.000 -5.663) 5.737 5.020 ( -1.827 0.000 2.675) 3.240 5.020 ( 1.827 0.000 2.675) 3.240 5.323 ( -1.264 0.000 -3.229) 3.467 5.323 ( 1.264 0.000 -3.229) 3.467 5.366 ( -3.133 0.000 2.850) 4.235 5.366 ( 3.133 0.000 2.850) 4.235 5.607 ( -5.089 0.000 -0.003) 5.089 5.607 ( 5.089 0.000 -0.003) 5.089 5.723 ( -0.929 0.000 2.971) 3.113 5.723 ( 0.929 0.000 2.971) 3.113 5.802 ( -2.466 0.000 1.454) 2.863 5.802 ( 2.466 0.000 1.454) 2.863 5.848 ( -1.266 0.000 -0.192) 1.280 5.848 ( 1.266 0.000 -0.192) 1.280 5.888 ( -5.001 0.000 -3.999) 6.403 5.888 ( 5.001 0.000 -3.999) 6.403 6.040 ( -0.974 0.000 -0.474) 1.083 6.040 ( 0.974 0.000 -0.474) 1.083 6.247 ( -1.452 0.000 2.811) 3.164 6.247 ( 1.452 0.000 2.811) 3.164 6.284 ( -1.595 0.000 -0.488) 1.668 6.284 ( 1.595 0.000 -0.488) 1.668 6.378 ( -1.371 0.000 -4.083) 4.307 6.378 ( 1.371 0.000 -4.083) 4.307 6.552 ( -2.048 0.000 0.587) 2.131 6.552 ( 2.048 0.000 0.587) 2.131 6.665 ( -3.358 0.000 -1.916) 3.866 6.665 ( 3.358 0.000 -1.916) 3.866 7.071 ( -1.155 0.000 -0.919) 1.476 7.071 ( 1.155 0.000 -0.919) 1.476 7.240 ( -0.917 0.000 -1.603) 1.847 7.240 ( 0.917 0.000 -1.603) 1.847 7.413 ( -0.388 0.000 -1.616) 1.662 7.413 ( 0.388 0.000 -1.616) 1.662 7.571 ( -0.397 0.000 0.296) 0.495 7.571 ( 0.397 0.000 0.296) 0.495 9.985 ( -6.763 0.000 2.523) 7.218 9.985 ( 6.763 0.000 2.523) 7.218 10.039 ( -6.408 0.000 -2.337) 6.821 10.039 ( 6.408 0.000 -2.337) 6.821 10.064 ( -7.108 0.000 1.044) 7.184 10.064 ( 7.108 0.000 1.044) 7.184 10.115 ( -5.842 0.000 -0.797) 5.896 10.115 ( 5.842 0.000 -0.797) 5.896 10.362 ( -1.139 0.000 0.538) 1.259 10.362 ( 1.139 0.000 0.538) 1.259 10.434 ( -1.770 0.000 -1.545) 2.350 10.434 ( 1.770 0.000 -1.545) 2.350 11.607 ( -1.169 0.000 0.919) 1.487 11.607 ( 1.169 0.000 0.919) 1.487 11.738 ( -1.239 0.000 0.161) 1.249 11.738 ( 1.239 0.000 0.161) 1.249 11.854 ( -1.317 0.000 1.249) 1.815 11.854 ( 1.317 0.000 1.249) 1.815 12.066 ( -2.566 0.000 -1.149) 2.811 12.066 ( 2.566 0.000 -1.149) 2.811 12.405 ( -1.489 0.000 1.225) 1.928 12.405 ( 1.489 0.000 1.225) 1.928 12.630 ( -2.438 0.000 -2.349) 3.386 12.630 ( 2.438 0.000 -2.349) 3.386 12.882 ( -0.310 0.000 -0.618) 0.691 12.882 ( 0.310 0.000 -0.618) 0.691 13.090 ( -0.568 0.000 -0.622) 0.842 13.090 ( 0.568 0.000 -0.622) 0.842 13.269 ( -1.412 0.000 0.065) 1.414 13.269 ( 1.412 0.000 0.065) 1.414 13.540 ( -3.748 0.000 1.417) 4.007 13.540 ( 3.748 0.000 1.417) 4.007 13.549 ( -1.412 0.000 -0.640) 1.550 13.549 ( 1.412 0.000 -0.640) 1.550 13.703 ( -2.241 0.000 -4.153) 4.719 13.703 ( 2.241 0.000 -4.153) 4.719 20.038 ( -2.151 0.000 6.479) 6.827 20.038 ( 2.151 0.000 6.479) 6.827 20.287 ( -6.370 0.000 7.420) 9.779 20.287 ( 6.370 0.000 7.420) 9.779 20.322 ( -1.959 0.000 -3.495) 4.007 20.322 ( 1.959 0.000 -3.495) 4.007 20.801 ( -6.664 0.000 -0.854) 6.718 20.801 ( 6.664 0.000 -0.854) 6.718 20.902 ( -0.656 0.000 -1.376) 1.525 20.902 ( 0.656 0.000 -1.376) 1.525 21.091 ( -0.425 0.000 -1.410) 1.473 21.091 ( 0.425 0.000 -1.410) 1.473 21.318 ( -2.539 0.000 1.044) 2.745 21.318 ( 2.539 0.000 1.044) 2.745 21.523 ( -0.477 0.000 -0.226) 0.528 21.523 ( 0.477 0.000 -0.226) 0.528 21.559 ( -4.886 0.000 -1.007) 4.989 21.559 ( 4.886 0.000 -1.007) 4.989 21.865 ( -1.126 0.000 0.834) 1.401 21.865 ( 1.126 0.000 0.834) 1.401 22.564 ( -1.196 0.000 0.468) 1.284 22.564 ( 1.196 0.000 0.468) 1.284 22.756 ( -1.955 0.000 -2.848) 3.455 22.756 ( 1.955 0.000 -2.848) 3.455 23.642 ( -0.917 0.000 1.370) 1.648 23.642 ( 0.917 0.000 1.370) 1.648 23.673 ( -1.326 0.000 -1.547) 2.038 23.673 ( 1.326 0.000 -1.547) 2.038 24.095 ( -0.874 0.000 1.613) 1.834 24.095 ( 0.874 0.000 1.613) 1.834 24.235 ( -1.542 0.000 -2.274) 2.748 24.235 ( 1.542 0.000 -2.274) 2.748 24.574 ( -0.288 0.000 -0.632) 0.694 24.574 ( 0.288 0.000 -0.632) 0.694 24.726 ( -1.131 0.000 -0.835) 1.406 24.726 ( 1.131 0.000 -0.835) 1.406 ======================= Grid point 112 (41/48) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 0.000 10.708 14.364) 17.916 1.412 ( 0.000 -1.753 -6.599) 6.828 1.520 ( 0.000 2.090 18.450) 18.568 1.707 ( 0.000 -8.181 7.881) 11.360 1.756 ( 0.000 9.074 -1.241) 9.159 1.788 ( 0.000 1.039 5.437) 5.535 1.891 ( 0.000 2.712 -8.875) 9.281 1.902 ( 0.000 -2.063 0.128) 2.066 1.978 ( 0.000 4.320 -3.362) 5.474 2.001 ( 0.000 -2.321 1.964) 3.041 2.214 ( 0.000 -0.300 -9.358) 9.363 2.240 ( 0.000 -3.602 -6.951) 7.829 2.512 ( 0.000 -0.383 7.258) 7.268 2.512 ( 0.000 1.252 3.217) 3.452 2.519 ( 0.000 1.182 17.521) 17.561 2.561 ( 0.000 2.890 8.520) 8.996 2.642 ( 0.000 1.938 2.641) 3.276 2.658 ( 0.000 4.557 0.903) 4.646 2.754 ( 0.000 -1.652 -5.192) 5.448 2.755 ( 0.000 1.978 -5.562) 5.904 2.823 ( 0.000 -3.740 5.475) 6.630 2.863 ( 0.000 -5.906 -0.402) 5.920 2.893 ( 0.000 -6.622 1.466) 6.783 2.917 ( 0.000 -4.343 -0.606) 4.385 3.076 ( 0.000 0.311 -0.290) 0.425 3.078 ( 0.000 4.347 -1.731) 4.679 3.173 ( 0.000 -3.437 1.300) 3.675 3.174 ( 0.000 1.708 0.868) 1.916 3.215 ( 0.000 2.229 -1.087) 2.480 3.239 ( 0.000 2.301 -5.814) 6.253 3.352 ( 0.000 1.868 9.088) 9.278 3.421 ( 0.000 -0.668 2.541) 2.627 3.446 ( 0.000 0.928 -0.331) 0.985 3.456 ( 0.000 0.019 3.153) 3.153 3.516 ( 0.000 -1.262 1.325) 1.830 3.553 ( 0.000 -4.217 4.738) 6.343 3.664 ( 0.000 -1.340 -2.171) 2.551 3.676 ( 0.000 4.934 -3.734) 6.188 3.767 ( 0.000 -1.156 -0.880) 1.452 3.774 ( 0.000 -3.391 -4.724) 5.815 3.788 ( 0.000 3.998 -10.250) 11.002 3.853 ( 0.000 -4.019 -2.932) 4.975 3.905 ( 0.000 -1.452 -2.761) 3.119 3.927 ( 0.000 -2.211 0.441) 2.255 3.976 ( 0.000 2.021 4.658) 5.077 4.031 ( 0.000 6.187 -0.906) 6.253 4.082 ( 0.000 2.632 -2.748) 3.805 4.095 ( 0.000 3.039 -5.408) 6.204 4.232 ( 0.000 2.514 5.371) 5.930 4.252 ( 0.000 -2.716 -2.040) 3.397 4.268 ( 0.000 -4.141 4.919) 6.430 4.284 ( 0.000 1.525 -1.360) 2.044 4.395 ( 0.000 -5.294 -3.240) 6.207 4.417 ( 0.000 0.872 -5.445) 5.514 4.643 ( 0.000 3.621 10.037) 10.671 4.739 ( 0.000 -1.521 -0.711) 1.680 4.791 ( 0.000 -1.116 4.280) 4.423 4.809 ( 0.000 -2.024 6.067) 6.396 4.899 ( 0.000 1.078 -0.829) 1.361 4.903 ( 0.000 -1.760 -1.252) 2.160 4.992 ( 0.000 -1.312 -1.370) 1.896 5.057 ( 0.000 2.665 -4.434) 5.173 5.136 ( 0.000 0.593 0.828) 1.019 5.200 ( 0.000 -2.340 -3.270) 4.021 5.386 ( 0.000 3.778 3.429) 5.102 5.464 ( 0.000 2.755 -2.683) 3.846 5.496 ( 0.000 -1.567 4.929) 5.172 5.545 ( 0.000 -2.384 0.057) 2.385 5.747 ( 0.000 3.236 6.265) 7.052 5.786 ( 0.000 -2.622 8.383) 8.784 5.846 ( 0.000 3.005 0.175) 3.010 5.878 ( 0.000 -4.656 4.909) 6.765 5.937 ( 0.000 1.589 1.644) 2.287 5.983 ( 0.000 -2.503 -0.286) 2.519 6.047 ( 0.000 -6.949 -2.197) 7.288 6.050 ( 0.000 -3.001 -4.462) 5.377 6.103 ( 0.000 2.824 0.419) 2.855 6.174 ( 0.000 6.273 7.073) 9.454 6.228 ( 0.000 -3.649 -8.184) 8.961 6.279 ( 0.000 -0.050 -4.314) 4.314 6.400 ( 0.000 5.321 3.046) 6.131 6.457 ( 0.000 3.278 -2.447) 4.091 6.507 ( 0.000 -1.248 1.109) 1.669 6.529 ( 0.000 -1.399 -0.936) 1.683 6.634 ( 0.000 -0.170 0.935) 0.951 6.701 ( 0.000 -1.050 4.201) 4.330 6.711 ( 0.000 2.342 -5.014) 5.534 6.813 ( 0.000 -1.338 -5.713) 5.868 7.154 ( 0.000 1.863 1.806) 2.595 7.199 ( 0.000 1.542 -2.678) 3.091 7.233 ( 0.000 -1.539 0.659) 1.674 7.261 ( 0.000 -0.976 -1.593) 1.869 7.362 ( 0.000 1.691 0.234) 1.708 7.386 ( 0.000 0.782 -1.714) 1.884 7.587 ( 0.000 -0.243 0.870) 0.904 7.607 ( 0.000 -1.041 -1.207) 1.594 9.852 ( 0.000 0.453 0.337) 0.565 9.864 ( 0.000 0.776 -0.235) 0.811 9.873 ( 0.000 -0.471 -1.315) 1.396 9.901 ( 0.000 -0.910 -4.257) 4.353 10.266 ( 0.000 0.352 1.349) 1.394 10.299 ( 0.000 -1.103 -1.677) 2.008 10.446 ( 0.000 0.111 0.071) 0.132 10.455 ( 0.000 -0.280 -0.725) 0.777 10.648 ( 0.000 1.110 0.678) 1.301 10.652 ( 0.000 0.820 0.234) 0.853 10.996 ( 0.000 -1.676 2.635) 3.123 11.004 ( 0.000 -2.480 1.879) 3.111 11.205 ( 0.000 1.264 0.533) 1.372 11.219 ( 0.000 0.572 -0.690) 0.896 11.268 ( 0.000 -0.698 -0.317) 0.767 11.271 ( 0.000 -0.794 -0.405) 0.891 11.795 ( 0.000 2.275 1.229) 2.586 11.800 ( 0.000 2.965 0.467) 3.002 12.003 ( 0.000 -3.279 3.803) 5.021 12.058 ( 0.000 -5.545 -1.436) 5.727 12.209 ( 0.000 2.868 0.080) 2.869 12.233 ( 0.000 2.271 -2.171) 3.142 12.661 ( 0.000 3.955 2.493) 4.675 12.728 ( 0.000 1.910 -4.118) 4.539 12.872 ( 0.000 0.164 -0.449) 0.478 12.876 ( 0.000 -0.195 -0.759) 0.783 12.963 ( 0.000 -5.705 0.626) 5.739 12.984 ( 0.000 -5.284 -1.587) 5.517 13.178 ( 0.000 4.748 -0.196) 4.752 13.199 ( 0.000 4.813 -2.421) 5.387 13.486 ( 0.000 -0.041 3.195) 3.195 13.505 ( 0.000 0.621 4.016) 4.063 13.578 ( 0.000 -1.084 -0.614) 1.246 13.601 ( 0.000 -2.560 -7.980) 8.380 13.628 ( 0.000 1.343 -1.074) 1.719 13.675 ( 0.000 -0.955 -3.767) 3.886 19.906 ( 0.000 0.391 7.808) 7.818 19.943 ( 0.000 -1.672 6.530) 6.740 20.039 ( 0.000 2.339 -1.891) 3.008 20.097 ( 0.000 -0.788 -5.674) 5.729 20.359 ( 0.000 4.532 3.497) 5.724 20.444 ( 0.000 1.991 -4.471) 4.894 20.770 ( 0.000 -2.053 0.255) 2.069 20.788 ( 0.000 -3.707 -1.473) 3.989 20.976 ( 0.000 0.012 1.588) 1.588 21.007 ( 0.000 -2.019 -0.642) 2.119 21.106 ( 0.000 0.070 -0.579) 0.583 21.141 ( 0.000 -2.683 -3.396) 4.328 21.290 ( 0.000 1.092 -0.104) 1.097 21.293 ( 0.000 1.350 -0.281) 1.379 21.557 ( 0.000 -0.357 2.215) 2.244 21.578 ( 0.000 -1.437 0.486) 1.517 21.869 ( 0.000 -0.976 6.775) 6.845 21.904 ( 0.000 -2.818 5.879) 6.519 22.003 ( 0.000 1.498 7.032) 7.189 22.154 ( 0.000 -5.454 -1.083) 5.561 22.384 ( 0.000 2.410 0.169) 2.416 22.406 ( 0.000 -0.223 -6.105) 6.109 22.566 ( 0.000 7.341 5.660) 9.269 22.722 ( 0.000 -1.271 -9.560) 9.644 23.583 ( 0.000 0.031 0.466) 0.467 23.586 ( 0.000 -0.131 0.162) 0.208 23.675 ( 0.000 0.218 1.153) 1.173 23.700 ( 0.000 -0.954 -1.140) 1.486 24.068 ( 0.000 1.286 2.794) 3.076 24.116 ( 0.000 -0.943 -1.701) 1.945 24.189 ( 0.000 2.424 2.639) 3.584 24.275 ( 0.000 -1.460 -5.623) 5.809 24.589 ( 0.000 2.632 0.254) 2.644 24.606 ( 0.000 0.640 -1.437) 1.573 24.643 ( 0.000 -0.952 2.503) 2.678 24.710 ( 0.000 -2.701 -3.767) 4.635 ======================= Grid point 113 (42/48) ======================= q-point: ( 0.17 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 3.856 10.010 14.406) 17.962 1.434 ( 2.165 -0.939 -3.765) 4.443 1.561 ( 3.593 1.119 15.560) 16.009 1.680 ( -2.344 3.485 -1.777) 4.560 1.733 ( -2.238 -0.287 12.042) 12.251 1.779 ( -1.682 0.010 4.175) 4.501 1.841 ( -5.330 2.910 0.515) 6.095 1.925 ( -0.919 -0.605 -0.082) 1.103 1.942 ( 0.756 1.477 -5.446) 5.693 2.034 ( 2.860 -1.405 -5.892) 6.698 2.114 ( -7.833 -4.110 -5.782) 10.568 2.177 ( -4.698 -2.476 -10.635) 11.887 2.403 ( -8.472 -1.226 10.520) 13.563 2.461 ( -6.241 -2.111 4.488) 7.972 2.516 ( -1.555 1.634 8.289) 8.590 2.543 ( -1.491 3.159 4.869) 5.993 2.623 ( -1.441 4.949 1.777) 5.453 2.646 ( -1.273 5.219 0.798) 5.431 2.694 ( -2.988 0.796 -1.252) 3.336 2.743 ( -1.356 0.334 -2.698) 3.038 2.812 ( -3.698 -3.522 0.068) 5.107 2.840 ( -3.147 -4.474 1.567) 5.690 2.852 ( 0.549 -5.104 3.545) 6.239 2.938 ( -1.241 -4.087 -2.772) 5.092 3.007 ( -3.369 1.398 0.134) 3.650 3.053 ( -4.263 -0.569 -2.337) 4.895 3.109 ( -3.381 0.532 0.489) 3.457 3.120 ( -4.059 0.668 -1.411) 4.349 3.193 ( -2.946 0.127 0.290) 2.963 3.211 ( -1.025 -0.127 -0.906) 1.374 3.398 ( 2.120 1.289 4.156) 4.840 3.447 ( 1.561 6.291 4.231) 7.741 3.468 ( 1.992 2.064 4.026) 4.944 3.502 ( 1.849 -1.641 0.146) 2.477 3.548 ( 2.576 4.410 -0.726) 5.159 3.626 ( 3.552 0.563 0.042) 3.596 3.638 ( 3.254 0.091 -4.535) 5.583 3.686 ( -1.113 0.690 2.214) 2.572 3.775 ( 0.540 -2.638 -3.601) 4.496 3.799 ( 1.769 1.208 -5.043) 5.479 3.814 ( 2.015 -4.286 -3.043) 5.629 3.884 ( 2.602 -3.879 -3.332) 5.738 3.891 ( -0.496 -0.357 3.351) 3.407 3.968 ( 1.441 -3.467 -0.156) 3.758 4.017 ( 0.736 -0.374 0.008) 0.825 4.068 ( 7.628 -4.839 -1.159) 9.107 4.134 ( 3.524 -0.257 -1.343) 3.780 4.166 ( 4.232 0.764 -0.417) 4.320 4.179 ( 2.833 2.508 3.237) 4.979 4.264 ( -0.392 -0.413 -0.260) 0.626 4.331 ( 4.494 -0.859 -3.369) 5.682 4.356 ( 6.530 -0.454 -3.813) 7.575 4.469 ( 10.032 5.697 1.102) 11.589 4.506 ( 7.240 4.162 -2.298) 8.661 4.703 ( 4.762 2.442 11.008) 12.240 4.798 ( 3.377 -3.527 3.642) 6.092 4.826 ( 3.988 0.030 4.841) 6.272 4.872 ( 5.619 -1.232 1.868) 6.049 4.907 ( 2.794 -1.527 0.290) 3.197 4.953 ( 2.103 -2.730 -3.509) 4.918 4.990 ( 2.614 1.401 2.045) 3.603 5.101 ( 1.304 8.257 -7.275) 11.082 5.196 ( 6.178 -3.560 2.103) 7.434 5.254 ( 4.301 -1.044 -2.928) 5.307 5.361 ( -2.813 3.015 2.691) 4.923 5.431 ( -3.546 0.556 -0.153) 3.593 5.477 ( -0.392 -0.917 3.221) 3.372 5.554 ( 0.663 -4.888 -1.023) 5.038 5.697 ( -3.844 -0.029 4.835) 6.177 5.787 ( -0.191 0.006 7.105) 7.108 5.799 ( -3.645 0.270 -0.999) 3.789 5.876 ( -1.569 -3.027 3.427) 4.834 5.917 ( -2.093 0.237 2.779) 3.487 5.970 ( -1.324 -1.933 -2.348) 3.317 6.007 ( -2.857 -2.791 -0.787) 4.071 6.067 ( 0.574 -2.957 -2.128) 3.688 6.080 ( -2.543 3.857 0.925) 4.712 6.151 ( -0.852 1.452 2.947) 3.394 6.191 ( -6.148 -0.037 -2.084) 6.492 6.244 ( -0.775 -4.131 -6.295) 7.569 6.379 ( -1.949 4.591 2.272) 5.481 6.434 ( -2.318 3.317 -2.395) 4.702 6.466 ( -3.705 -1.846 0.503) 4.170 6.481 ( -4.315 -1.026 -0.799) 4.507 6.592 ( -2.713 1.691 1.662) 3.603 6.676 ( -2.879 4.867 -5.118) 7.626 6.706 ( -0.643 -2.371 3.556) 4.322 6.801 ( -1.655 -1.813 -4.856) 5.441 7.137 ( -1.587 2.275 1.653) 3.229 7.181 ( -1.717 1.897 -2.672) 3.699 7.222 ( -0.764 -1.326 0.830) 1.741 7.260 ( -0.335 -1.102 -2.332) 2.601 7.377 ( 1.481 1.743 -0.080) 2.289 7.399 ( 1.216 1.030 -1.809) 2.411 7.574 ( -1.070 -0.664 0.856) 1.522 7.591 ( -1.299 -1.322 -0.764) 2.005 9.863 ( 0.558 0.507 0.929) 1.197 9.867 ( 1.657 0.172 0.792) 1.844 9.895 ( 1.805 0.093 -2.108) 2.777 9.919 ( 1.912 -0.864 -4.049) 4.560 10.272 ( 0.384 0.378 1.317) 1.423 10.303 ( 0.237 -0.997 -1.592) 1.893 10.407 ( -5.925 -0.636 0.590) 5.989 10.421 ( -5.875 -1.340 -0.925) 6.096 10.477 ( -10.142 2.364 1.585) 10.533 10.501 ( -9.127 1.865 -0.778) 9.348 10.690 ( -18.230 -0.938 3.275) 18.545 10.733 ( -16.682 -2.484 -0.950) 16.892 11.376 ( 11.582 3.134 0.635) 12.015 11.386 ( 11.523 2.520 -0.355) 11.800 11.506 ( 14.604 -2.633 1.290) 14.895 11.529 ( 14.728 -3.683 -1.083) 15.220 11.781 ( -1.124 2.471 1.611) 3.156 11.798 ( -0.415 2.411 -0.073) 2.448 11.987 ( -1.346 -3.936 3.751) 5.601 12.047 ( -1.053 -6.406 -1.946) 6.777 12.272 ( 5.823 3.976 0.321) 7.059 12.298 ( 5.940 3.305 -2.135) 7.125 12.649 ( -1.086 3.239 2.284) 4.109 12.713 ( -1.272 0.907 -3.983) 4.278 12.867 ( -0.043 0.378 -0.087) 0.390 12.878 ( 0.326 0.312 -1.180) 1.263 13.001 ( 2.421 -5.636 -0.020) 6.134 13.011 ( 1.787 -5.022 -1.137) 5.450 13.202 ( 2.519 4.694 0.375) 5.340 13.230 ( 3.242 4.918 -2.275) 6.315 13.475 ( -1.086 -0.266 2.887) 3.096 13.517 ( 1.067 0.915 3.562) 3.829 13.572 ( -1.413 -1.821 -3.783) 4.430 13.584 ( 0.833 -1.584 -1.531) 2.355 13.649 ( 0.397 0.749 -3.197) 3.307 13.689 ( 1.438 -0.899 -4.374) 4.691 19.932 ( 2.410 0.591 7.937) 8.316 19.977 ( 3.356 -1.902 6.786) 7.806 20.063 ( 2.165 2.569 -0.260) 3.370 20.144 ( 4.236 -1.717 -5.514) 7.162 20.352 ( -0.375 4.472 2.707) 5.241 20.430 ( -1.098 2.111 -4.329) 4.940 20.791 ( 1.335 -2.885 0.205) 3.185 20.801 ( 1.588 -3.539 -0.616) 3.928 20.991 ( 0.835 0.331 2.059) 2.246 21.023 ( 1.405 -1.928 -0.378) 2.415 21.099 ( -3.047 -2.298 -1.026) 3.952 21.106 ( -2.897 -2.099 -1.599) 3.918 21.263 ( -2.039 4.323 1.379) 4.974 21.286 ( -0.214 4.002 -1.093) 4.154 21.502 ( -2.658 0.289 2.389) 3.586 21.543 ( -3.221 -0.817 -0.916) 3.447 21.714 ( -8.292 -5.469 6.704) 11.984 21.812 ( -7.316 -9.585 -2.302) 12.275 22.019 ( -1.084 8.691 9.868) 13.194 22.193 ( -10.880 7.574 -3.986) 13.843 22.351 ( 10.774 -5.533 3.174) 12.520 22.474 ( 3.609 -3.693 -5.590) 7.610 22.632 ( 4.346 5.496 3.675) 7.912 22.744 ( 1.324 -0.828 -7.243) 7.409 23.595 ( 1.171 0.084 0.610) 1.323 23.603 ( 1.519 -0.254 -0.117) 1.544 23.671 ( -0.422 0.256 1.183) 1.282 23.696 ( -0.382 -0.930 -1.142) 1.521 24.075 ( 0.715 1.510 2.478) 2.989 24.123 ( 0.567 -0.120 -1.990) 2.073 24.185 ( -0.190 1.314 2.603) 2.922 24.265 ( -0.925 -1.732 -5.082) 5.448 24.588 ( -0.078 2.406 0.184) 2.414 24.601 ( -0.230 1.665 -0.996) 1.954 24.658 ( 1.163 -1.450 1.789) 2.580 24.715 ( 0.360 -2.759 -3.515) 4.483 ======================= Grid point 114 (43/48) ======================= q-point: ( 0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 6.294 7.203 12.992) 16.133 1.487 ( 2.646 0.665 -0.071) 2.729 1.567 ( -3.584 -1.850 7.666) 8.662 1.659 ( -2.765 4.577 11.652) 12.820 1.692 ( -5.317 1.650 6.079) 8.243 1.731 ( 4.528 0.581 2.992) 5.458 1.749 ( -2.214 1.334 -0.689) 2.676 1.878 ( -2.765 3.582 -8.297) 9.451 1.949 ( -2.823 -3.574 1.887) 4.930 1.996 ( -0.964 -1.835 -3.780) 4.311 2.100 ( -3.199 1.806 -2.653) 4.531 2.128 ( 6.037 -0.767 -7.861) 9.942 2.237 ( -8.745 -4.848 6.088) 11.707 2.307 ( -5.099 -6.062 2.003) 8.171 2.436 ( -6.541 0.804 3.419) 7.424 2.488 ( -5.829 -1.872 1.859) 6.398 2.598 ( -2.427 3.442 -1.181) 4.374 2.611 ( -2.140 4.797 0.174) 5.256 2.655 ( 2.253 3.725 3.767) 5.757 2.726 ( -0.193 -0.014 4.194) 4.199 2.752 ( -2.027 -1.870 -2.862) 3.974 2.781 ( -3.249 -2.547 -1.403) 4.360 2.839 ( -2.343 0.641 -2.254) 3.314 2.864 ( -4.670 -0.218 -2.672) 5.385 2.980 ( 0.692 -1.494 1.350) 2.129 2.984 ( 0.161 -1.804 0.965) 2.052 3.046 ( -1.292 3.625 1.168) 4.022 3.094 ( -0.926 -0.561 -1.694) 2.011 3.167 ( 0.686 -1.657 -1.383) 2.265 3.190 ( -0.502 -2.028 -2.608) 3.341 3.335 ( -6.363 4.731 0.739) 7.964 3.410 ( -5.837 2.145 -5.949) 8.606 3.525 ( 2.961 4.093 4.115) 6.516 3.564 ( 2.203 0.536 5.081) 5.564 3.588 ( 3.884 2.770 -0.070) 4.771 3.660 ( 1.562 2.252 -0.140) 2.744 3.679 ( 0.337 1.781 3.508) 3.949 3.735 ( 0.971 1.574 -2.676) 3.253 3.757 ( -2.196 3.422 1.236) 4.250 3.814 ( 0.647 -4.209 -4.583) 6.256 3.855 ( 2.122 -1.552 0.958) 2.798 3.883 ( 0.061 -0.737 -0.219) 0.771 3.940 ( 1.389 -0.682 -1.057) 1.874 3.990 ( 3.768 -0.478 -1.865) 4.231 4.062 ( -3.221 -5.296 3.867) 7.305 4.111 ( 4.408 -7.159 4.042) 9.328 4.163 ( -0.073 -7.366 -0.670) 7.397 4.199 ( 0.368 -6.978 -1.748) 7.203 4.339 ( 10.284 4.567 5.237) 12.411 4.438 ( 13.228 1.599 -4.457) 14.050 4.481 ( 10.616 -2.018 1.016) 10.854 4.536 ( 10.241 -1.575 -3.507) 10.939 4.631 ( 3.083 6.682 6.843) 10.049 4.688 ( 7.781 8.832 -0.317) 11.775 4.780 ( 2.733 0.551 8.387) 8.838 4.851 ( 3.051 -1.523 5.303) 6.304 4.905 ( 3.114 1.332 3.156) 4.629 4.934 ( -0.649 -1.768 -0.248) 1.900 4.992 ( 2.533 0.266 1.388) 2.901 5.009 ( 4.634 -0.717 0.977) 4.790 5.068 ( 3.339 6.343 -0.540) 7.189 5.115 ( 0.495 8.193 -2.811) 8.676 5.285 ( 0.703 0.649 1.747) 1.992 5.307 ( 0.514 -0.944 -2.206) 2.454 5.333 ( 2.900 -1.382 -1.942) 3.754 5.386 ( -0.527 0.264 -4.122) 4.164 5.484 ( 1.818 -4.976 4.850) 7.182 5.570 ( 0.451 -6.952 0.398) 6.978 5.642 ( -0.926 -2.303 0.609) 2.556 5.724 ( -3.373 -5.184 -3.179) 6.954 5.763 ( -3.352 -4.024 4.588) 6.963 5.814 ( -3.353 -0.495 1.063) 3.552 5.842 ( -5.133 0.034 1.760) 5.426 5.884 ( -5.905 -2.884 -3.248) 7.330 5.986 ( -4.199 1.984 2.553) 5.300 6.017 ( 0.419 3.223 1.594) 3.620 6.031 ( -5.093 -2.642 -0.498) 5.759 6.092 ( 0.898 5.123 -3.847) 6.470 6.183 ( 2.446 -3.924 2.451) 5.233 6.238 ( 0.092 -2.503 -3.426) 4.244 6.328 ( -3.044 2.078 0.683) 3.749 6.360 ( -4.821 1.852 -0.955) 5.252 6.388 ( -3.296 -2.300 -1.130) 4.175 6.399 ( -3.233 -0.105 -1.323) 3.495 6.566 ( 0.325 3.669 1.001) 3.817 6.623 ( -1.888 4.877 -3.439) 6.258 6.671 ( -2.285 -0.959 2.514) 3.530 6.741 ( -4.116 -1.680 -3.376) 5.582 7.106 ( -1.102 3.133 0.720) 3.398 7.139 ( -2.247 2.752 -2.481) 4.334 7.213 ( -0.031 -1.639 0.063) 1.641 7.245 ( -1.140 -1.611 -2.603) 3.267 7.413 ( 1.803 2.135 -0.683) 2.877 7.426 ( 1.243 1.855 -1.749) 2.836 7.555 ( -0.753 -1.630 0.648) 1.909 7.566 ( -1.153 -1.947 -0.369) 2.293 9.896 ( 3.070 0.777 2.029) 3.761 9.924 ( 4.093 -0.606 0.982) 4.253 9.950 ( 4.136 0.726 -1.881) 4.601 9.981 ( 4.489 -0.805 -3.258) 5.604 10.182 ( -11.611 0.541 1.662) 11.742 10.207 ( -10.715 -0.825 -0.651) 10.767 10.253 ( -5.413 0.587 0.828) 5.507 10.271 ( -6.763 -0.162 -0.727) 6.804 10.370 ( -3.155 1.093 1.557) 3.683 10.394 ( -4.278 1.334 -0.943) 4.579 10.439 ( -3.873 -1.403 1.967) 4.565 10.491 ( -6.560 -2.352 -2.688) 7.470 11.564 ( 7.013 4.148 1.286) 8.249 11.585 ( 7.430 3.831 -0.747) 8.393 11.732 ( 7.509 -2.886 1.609) 8.204 11.757 ( 0.630 1.372 2.078) 2.569 11.762 ( 6.567 -2.674 -1.268) 7.203 11.785 ( -0.110 1.371 -0.651) 1.522 11.958 ( -1.364 -5.819 3.172) 6.766 12.016 ( -2.182 -7.622 -2.243) 8.239 12.403 ( 6.453 5.877 0.819) 8.766 12.433 ( 6.564 5.235 -2.023) 8.636 12.623 ( -1.246 1.745 1.682) 2.725 12.681 ( -2.140 0.007 -3.813) 4.372 12.877 ( 0.845 0.870 -0.110) 1.217 12.887 ( 0.487 0.836 -1.158) 1.509 13.025 ( 0.312 -4.913 -0.354) 4.936 13.033 ( 0.192 -5.447 -1.115) 5.563 13.267 ( 3.537 4.468 1.486) 5.889 13.309 ( 3.474 4.669 -2.410) 6.299 13.455 ( -0.234 -1.936 3.732) 4.211 13.531 ( -1.692 -3.114 -2.150) 4.145 13.552 ( 1.552 1.894 1.585) 2.917 13.626 ( 2.134 -0.754 -4.780) 5.289 13.641 ( -0.393 1.337 0.406) 1.452 13.709 ( 0.132 -1.428 -5.004) 5.205 19.993 ( 3.521 1.202 7.834) 8.672 20.057 ( 3.291 -0.738 3.957) 5.199 20.112 ( 2.986 -0.002 6.899) 7.518 20.218 ( 1.677 -4.353 -2.074) 5.105 20.368 ( 2.377 5.358 0.174) 5.864 20.429 ( 2.081 4.472 -4.737) 6.839 20.764 ( -5.219 -4.655 5.650) 8.990 20.832 ( -0.850 -5.080 -1.787) 5.452 20.946 ( -2.435 3.920 1.770) 4.942 21.006 ( -5.454 -0.161 -1.736) 5.726 21.055 ( 0.902 -1.632 -1.327) 2.289 21.062 ( 0.753 -1.708 -1.991) 2.729 21.267 ( 2.482 4.046 1.432) 4.958 21.302 ( 1.963 3.568 -2.021) 4.547 21.465 ( -3.157 -3.548 1.829) 5.089 21.497 ( -1.737 -2.588 -1.286) 3.372 21.618 ( -0.162 -0.516 3.311) 3.355 21.694 ( -3.692 -5.150 -3.348) 7.167 21.928 ( -6.467 4.681 3.945) 8.905 21.973 ( -10.226 3.510 -0.235) 10.815 22.525 ( 6.121 0.400 0.496) 6.154 22.558 ( 3.862 -0.866 -2.322) 4.589 22.694 ( 2.022 0.839 0.996) 2.405 22.752 ( -0.584 -1.878 -4.621) 5.022 23.622 ( 1.343 0.199 0.839) 1.596 23.637 ( 1.684 -0.470 -0.565) 1.838 23.660 ( -0.672 0.296 1.178) 1.388 23.685 ( -0.755 -0.872 -1.118) 1.606 24.095 ( 1.202 1.995 1.777) 2.929 24.129 ( -0.116 1.943 -1.014) 2.194 24.191 ( 0.865 -1.213 0.879) 1.730 24.243 ( -1.291 -2.071 -3.744) 4.469 24.590 ( 0.316 2.336 -0.090) 2.359 24.599 ( -0.029 2.395 -0.932) 2.570 24.682 ( 1.191 -1.978 0.842) 2.458 24.717 ( -0.306 -2.689 -2.464) 3.660 ======================= Grid point 115 (44/48) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -6.675 2.676 8.285) 10.970 1.443 ( 6.675 2.676 8.285) 10.970 1.568 ( -4.053 -2.229 8.098) 9.326 1.568 ( 4.053 -2.229 8.098) 9.326 1.686 ( -3.250 6.731 1.430) 7.610 1.686 ( 3.250 6.731 1.430) 7.610 1.808 ( -3.489 1.740 -5.967) 7.128 1.808 ( 3.489 1.740 -5.967) 7.128 1.993 ( -4.335 -2.101 2.130) 5.267 1.993 ( 4.335 -2.101 2.130) 5.267 2.070 ( -3.876 -3.749 5.162) 7.465 2.070 ( 3.876 -3.749 5.162) 7.465 2.263 ( -5.567 0.058 -4.390) 7.089 2.263 ( 5.567 0.058 -4.390) 7.089 2.350 ( -3.864 -2.398 -0.219) 4.553 2.350 ( 3.864 -2.398 -0.219) 4.553 2.583 ( -0.527 3.342 1.376) 3.653 2.583 ( 0.527 3.342 1.376) 3.653 2.709 ( -2.118 -0.083 1.069) 2.374 2.709 ( 2.118 -0.083 1.069) 2.374 2.745 ( -1.062 1.160 0.350) 1.611 2.745 ( 1.062 1.160 0.350) 1.611 2.796 ( -0.545 -1.419 -3.506) 3.822 2.796 ( 0.545 -1.419 -3.506) 3.822 3.014 ( -0.626 -0.750 0.558) 1.125 3.014 ( 0.626 -0.750 0.558) 1.125 3.057 ( -1.269 -0.094 1.151) 1.716 3.057 ( 1.269 -0.094 1.151) 1.716 3.191 ( -2.288 2.235 -1.598) 3.575 3.191 ( 2.288 2.235 -1.598) 3.575 3.280 ( -4.875 0.826 -5.904) 7.701 3.280 ( 4.875 0.826 -5.904) 7.701 3.594 ( -2.589 2.885 3.214) 5.035 3.594 ( 2.589 2.885 3.214) 5.035 3.618 ( -0.620 0.616 1.984) 2.168 3.618 ( 0.620 0.616 1.984) 2.168 3.706 ( -1.498 3.917 2.017) 4.653 3.706 ( 1.498 3.917 2.017) 4.653 3.789 ( -2.654 -0.434 -2.378) 3.590 3.789 ( 2.654 -0.434 -2.378) 3.590 3.882 ( -0.546 -1.217 -0.749) 1.530 3.882 ( 0.546 -1.217 -0.749) 1.530 3.989 ( -3.378 -0.811 3.861) 5.193 3.989 ( 3.378 -0.811 3.861) 5.193 4.085 ( -4.563 -2.992 -4.416) 7.019 4.085 ( 4.563 -2.992 -4.416) 7.019 4.198 ( -1.788 -8.839 3.370) 9.627 4.198 ( 1.788 -8.839 3.370) 9.627 4.543 ( -8.524 3.561 10.203) 13.764 4.543 ( 8.524 3.561 10.203) 13.764 4.639 ( -3.412 -1.225 0.570) 3.670 4.639 ( 3.412 -1.225 0.570) 3.670 4.689 ( -5.786 0.413 -0.287) 5.808 4.689 ( 5.786 0.413 -0.287) 5.808 4.833 ( -5.737 -3.940 0.718) 6.997 4.833 ( 5.737 -3.940 0.718) 6.997 4.931 ( -3.172 6.741 3.963) 8.438 4.931 ( 3.172 6.741 3.963) 8.438 5.037 ( -1.709 2.331 1.422) 3.221 5.037 ( 1.709 2.331 1.422) 3.221 5.114 ( -1.387 8.378 -2.270) 8.790 5.114 ( 1.387 8.378 -2.270) 8.790 5.325 ( -2.442 -0.792 -0.499) 2.615 5.325 ( 2.442 -0.792 -0.499) 2.615 5.359 ( -3.254 0.242 -1.282) 3.506 5.359 ( 3.254 0.242 -1.282) 3.506 5.552 ( -3.308 -6.959 0.721) 7.739 5.552 ( 3.308 -6.959 0.721) 7.739 5.654 ( -3.073 -7.147 0.431) 7.791 5.654 ( 3.073 -7.147 0.431) 7.792 5.734 ( -3.315 -3.903 -0.926) 5.204 5.734 ( 3.315 -3.903 -0.926) 5.204 5.804 ( -1.722 0.928 -1.395) 2.402 5.804 ( 1.722 0.928 -1.395) 2.402 5.943 ( -0.884 -1.156 -0.110) 1.459 5.943 ( 0.884 -1.156 -0.110) 1.459 6.084 ( -2.391 4.855 -0.239) 5.417 6.084 ( 2.391 4.855 -0.239) 5.417 6.231 ( -1.715 -2.096 2.179) 3.476 6.231 ( 1.715 -2.096 2.179) 3.476 6.291 ( -0.649 1.306 -1.043) 1.793 6.291 ( 0.649 1.306 -1.043) 1.793 6.360 ( -0.501 -1.539 -2.474) 2.956 6.360 ( 0.501 -1.539 -2.474) 2.956 6.592 ( -1.804 3.468 0.087) 3.910 6.592 ( 1.804 3.468 0.087) 3.910 6.665 ( -2.561 -0.311 -1.397) 2.933 6.665 ( 2.561 -0.311 -1.397) 2.933 7.104 ( -0.998 3.400 -1.068) 3.701 7.104 ( 0.998 3.400 -1.068) 3.701 7.222 ( -0.936 -2.042 -1.569) 2.740 7.222 ( 0.936 -2.042 -1.569) 2.740 7.437 ( -0.370 2.578 -1.292) 2.908 7.437 ( 0.370 2.578 -1.292) 2.908 7.550 ( -0.350 -2.371 0.062) 2.397 7.550 ( 0.350 -2.371 0.062) 2.397 9.994 ( -6.841 0.975 2.171) 7.243 9.994 ( 6.841 0.975 2.171) 7.243 10.031 ( -6.675 -0.796 -0.706) 6.760 10.031 ( 6.675 -0.796 -0.706) 6.760 10.072 ( -6.728 0.857 -0.222) 6.786 10.072 ( 6.728 0.857 -0.222) 6.786 10.108 ( -5.938 -0.766 -0.837) 6.046 10.108 ( 5.938 -0.766 -0.837) 6.046 10.368 ( -1.175 0.795 0.351) 1.461 10.368 ( 1.175 0.795 0.351) 1.461 10.420 ( -1.610 -1.497 -1.107) 2.461 10.420 ( 1.610 -1.497 -1.107) 2.461 11.650 ( -1.258 4.697 0.795) 4.927 11.650 ( 1.258 4.697 0.795) 4.927 11.752 ( -1.348 1.354 0.028) 1.911 11.752 ( 1.348 1.354 0.028) 1.911 11.840 ( -1.706 -1.493 1.388) 2.659 11.840 ( 1.706 -1.493 1.388) 2.659 11.963 ( -2.513 -8.883 -0.683) 9.257 11.963 ( 2.513 -8.883 -0.683) 9.257 12.493 ( -1.640 7.245 0.427) 7.440 12.493 ( 1.640 7.245 0.427) 7.440 12.629 ( -2.443 -0.436 -2.036) 3.209 12.629 ( 2.443 -0.436 -2.036) 3.209 12.890 ( -0.306 1.164 -0.650) 1.368 12.890 ( 0.306 1.164 -0.650) 1.368 13.028 ( -0.286 -5.432 -0.705) 5.485 13.028 ( 0.286 -5.432 -0.705) 5.485 13.324 ( -1.729 4.754 0.296) 5.068 13.324 ( 1.729 4.754 0.296) 5.068 13.484 ( -2.564 -3.788 0.936) 4.669 13.484 ( 2.564 -3.788 0.936) 4.669 13.598 ( -2.445 2.908 -0.860) 3.895 13.598 ( 2.445 2.908 -0.860) 3.895 13.687 ( -2.270 -1.692 -3.657) 4.625 13.687 ( 2.270 -1.692 -3.657) 4.625 20.056 ( -2.415 2.026 6.129) 6.892 20.056 ( 2.415 2.026 6.129) 6.892 20.191 ( -3.732 -5.476 4.164) 7.826 20.191 ( 3.732 -5.476 4.164) 7.826 20.442 ( -3.660 8.227 -0.023) 9.005 20.442 ( 3.660 8.227 -0.023) 9.005 20.726 ( -5.238 -6.679 -0.947) 8.541 20.726 ( 5.238 -6.679 -0.947) 8.541 20.952 ( -1.276 3.896 -0.986) 4.216 20.952 ( 1.276 3.896 -0.986) 4.216 21.070 ( -0.243 -2.234 -1.132) 2.516 21.070 ( 0.243 -2.234 -1.132) 2.516 21.327 ( -1.950 1.082 0.453) 2.276 21.327 ( 1.950 1.082 0.453) 2.276 21.429 ( -2.785 -5.159 -1.008) 5.949 21.429 ( 2.785 -5.159 -1.008) 5.949 21.668 ( -1.986 6.786 -0.017) 7.071 21.668 ( 1.986 6.786 -0.017) 7.071 21.842 ( -0.751 -2.630 0.756) 2.838 21.842 ( 0.751 -2.630 0.756) 2.838 22.592 ( -0.794 2.988 0.025) 3.092 22.592 ( 0.794 2.988 0.025) 3.092 22.727 ( -1.587 -3.068 -2.322) 4.162 22.727 ( 1.587 -3.068 -2.322) 4.162 23.644 ( -0.932 0.280 1.053) 1.433 23.644 ( 0.932 0.280 1.053) 1.433 23.666 ( -1.203 -0.704 -0.935) 1.679 23.666 ( 1.203 -0.704 -0.935) 1.679 24.118 ( -0.966 2.381 0.807) 2.693 24.118 ( 0.966 2.381 0.807) 2.693 24.215 ( -1.435 -2.062 -1.865) 3.128 24.215 ( 1.435 -2.062 -1.865) 3.128 24.597 ( -0.264 2.413 -0.598) 2.499 24.597 ( 0.264 2.413 -0.598) 2.499 24.704 ( -0.952 -2.387 -0.733) 2.673 24.704 ( 0.952 -2.387 -0.733) 2.673 ======================= Grid point 119 (45/48) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 0.000 -7.217 5.269) 8.936 1.334 ( 0.000 7.217 5.269) 8.936 1.583 ( 0.000 -5.464 14.185) 15.201 1.583 ( 0.000 5.464 14.185) 15.201 1.831 ( 0.000 -3.463 4.802) 5.920 1.831 ( 0.000 3.463 4.802) 5.920 1.909 ( 0.000 -3.073 -6.598) 7.278 1.909 ( 0.000 3.073 -6.598) 7.278 2.000 ( 0.000 -1.478 -7.059) 7.212 2.000 ( 0.000 1.478 -7.059) 7.212 2.194 ( 0.000 -0.124 -6.436) 6.437 2.194 ( 0.000 0.124 -6.436) 6.437 2.507 ( 0.000 -0.030 11.371) 11.371 2.507 ( 0.000 0.030 11.371) 11.371 2.587 ( 0.000 -2.593 6.900) 7.371 2.587 ( 0.000 2.593 6.900) 7.371 2.678 ( 0.000 -3.388 1.836) 3.853 2.678 ( 0.000 3.388 1.836) 3.853 2.763 ( 0.000 -3.552 2.120) 4.136 2.763 ( 0.000 3.552 2.120) 4.136 2.802 ( 0.000 -0.321 -2.321) 2.344 2.802 ( 0.000 0.321 -2.321) 2.344 2.830 ( 0.000 -4.555 -2.378) 5.138 2.830 ( 0.000 4.555 -2.378) 5.138 3.091 ( 0.000 -2.151 3.734) 4.309 3.091 ( 0.000 2.151 3.734) 4.309 3.169 ( 0.000 -2.635 -2.505) 3.636 3.169 ( 0.000 2.635 -2.505) 3.636 3.239 ( 0.000 -0.977 -1.085) 1.460 3.239 ( 0.000 0.977 -1.085) 1.460 3.395 ( 0.000 -2.485 4.198) 4.879 3.395 ( 0.000 2.485 4.198) 4.879 3.447 ( 0.000 -0.044 -0.840) 0.841 3.447 ( 0.000 0.044 -0.840) 0.841 3.527 ( 0.000 -0.610 3.283) 3.339 3.527 ( 0.000 0.610 3.283) 3.339 3.690 ( 0.000 -4.535 -1.705) 4.845 3.690 ( 0.000 4.535 -1.705) 4.845 3.780 ( 0.000 -1.428 -0.393) 1.481 3.780 ( 0.000 1.428 -0.393) 1.481 3.782 ( 0.000 -4.908 -2.995) 5.750 3.782 ( 0.000 4.908 -2.995) 5.750 3.872 ( 0.000 -1.968 -9.039) 9.251 3.872 ( 0.000 1.968 -9.039) 9.251 4.103 ( 0.000 -6.160 3.775) 7.225 4.103 ( 0.000 6.160 3.775) 7.225 4.119 ( 0.000 -1.002 -0.720) 1.234 4.119 ( 0.000 1.002 -0.720) 1.234 4.217 ( 0.000 -4.686 -5.237) 7.028 4.217 ( 0.000 4.686 -5.237) 7.028 4.240 ( 0.000 -2.223 5.876) 6.283 4.240 ( 0.000 2.223 5.876) 6.283 4.394 ( 0.000 -3.537 -4.784) 5.949 4.394 ( 0.000 3.537 -4.784) 5.949 4.702 ( 0.000 -2.605 3.111) 4.057 4.702 ( 0.000 2.605 3.111) 4.057 4.780 ( 0.000 -0.740 5.688) 5.736 4.780 ( 0.000 0.740 5.688) 5.736 4.897 ( 0.000 -0.983 -3.342) 3.484 4.897 ( 0.000 0.983 -3.342) 3.484 5.018 ( 0.000 -3.423 4.384) 5.562 5.018 ( 0.000 3.423 4.384) 5.562 5.180 ( 0.000 -0.770 -2.912) 3.012 5.180 ( 0.000 0.770 -2.912) 3.012 5.452 ( 0.000 -3.528 -2.236) 4.177 5.452 ( 0.000 3.528 -2.236) 4.177 5.511 ( 0.000 -2.045 3.658) 4.191 5.511 ( 0.000 2.045 3.658) 4.191 5.763 ( 0.000 -0.448 6.781) 6.796 5.763 ( 0.000 0.448 6.781) 6.796 5.869 ( 0.000 -2.578 -0.029) 2.578 5.869 ( 0.000 2.578 -0.029) 2.578 5.936 ( 0.000 -2.147 3.175) 3.833 5.936 ( 0.000 2.147 3.175) 3.833 6.006 ( 0.000 -1.163 -3.012) 3.229 6.006 ( 0.000 1.163 -3.012) 3.229 6.153 ( 0.000 -3.391 -4.168) 5.373 6.153 ( 0.000 3.391 -4.168) 5.373 6.264 ( 0.000 -2.990 0.780) 3.090 6.264 ( 0.000 2.990 0.780) 3.090 6.468 ( 0.000 -2.151 1.851) 2.838 6.468 ( 0.000 2.151 1.851) 2.838 6.511 ( 0.000 -0.976 -1.956) 2.186 6.511 ( 0.000 0.976 -1.956) 2.186 6.649 ( 0.000 -2.409 3.717) 4.430 6.649 ( 0.000 2.409 3.717) 4.430 6.775 ( 0.000 -3.031 -5.708) 6.463 6.775 ( 0.000 3.031 -5.708) 6.463 7.194 ( 0.000 -2.393 1.376) 2.760 7.194 ( 0.000 2.393 1.376) 2.760 7.233 ( 0.000 -1.893 -2.599) 3.215 7.233 ( 0.000 1.893 -2.599) 3.215 7.389 ( 0.000 -0.793 -0.645) 1.023 7.389 ( 0.000 0.793 -0.645) 1.023 7.589 ( 0.000 -0.671 -0.263) 0.721 7.589 ( 0.000 0.671 -0.263) 0.721 9.862 ( 0.000 -0.685 -0.514) 0.856 9.862 ( 0.000 0.685 -0.514) 0.856 9.882 ( 0.000 -1.163 -2.131) 2.428 9.882 ( 0.000 1.163 -2.131) 2.428 10.278 ( 0.000 -1.007 0.033) 1.008 10.278 ( 0.000 1.007 0.033) 1.008 10.450 ( 0.000 -0.295 -0.212) 0.364 10.450 ( 0.000 0.295 -0.212) 0.364 10.661 ( 0.000 -0.099 0.547) 0.556 10.661 ( 0.000 0.099 0.547) 0.556 10.977 ( 0.000 -0.083 2.460) 2.461 10.977 ( 0.000 0.083 2.460) 2.461 11.223 ( 0.000 -0.421 -0.202) 0.467 11.223 ( 0.000 0.421 -0.202) 0.467 11.260 ( 0.000 -0.135 -0.390) 0.412 11.260 ( 0.000 0.135 -0.390) 0.412 11.832 ( 0.000 -0.670 0.705) 0.973 11.832 ( 0.000 0.670 0.705) 0.973 11.981 ( 0.000 -2.011 1.155) 2.319 11.981 ( 0.000 2.011 1.155) 2.319 12.245 ( 0.000 -0.832 -1.187) 1.449 12.245 ( 0.000 0.832 -1.187) 1.449 12.732 ( 0.000 -2.693 -0.769) 2.801 12.732 ( 0.000 2.693 -0.769) 2.801 12.874 ( 0.000 -0.116 -0.986) 0.993 12.874 ( 0.000 0.116 -0.986) 0.993 12.915 ( 0.000 -1.520 -0.335) 1.556 12.915 ( 0.000 1.520 -0.335) 1.556 13.235 ( 0.000 -1.086 -0.790) 1.343 13.235 ( 0.000 1.086 -0.790) 1.343 13.502 ( 0.000 -1.393 0.874) 1.645 13.502 ( 0.000 1.393 0.874) 1.645 13.566 ( 0.000 -0.335 -1.698) 1.731 13.566 ( 0.000 0.335 -1.698) 1.731 13.653 ( 0.000 -1.435 -3.039) 3.360 13.653 ( 0.000 1.435 -3.039) 3.360 19.919 ( 0.000 -1.024 7.209) 7.281 19.919 ( 0.000 1.024 7.209) 7.281 20.075 ( 0.000 -1.659 -4.166) 4.485 20.075 ( 0.000 1.659 -4.166) 4.485 20.443 ( 0.000 -3.239 0.105) 3.241 20.443 ( 0.000 3.239 0.105) 3.241 20.740 ( 0.000 -0.087 0.040) 0.096 20.740 ( 0.000 0.087 0.040) 0.096 20.980 ( 0.000 -0.777 0.784) 1.104 20.980 ( 0.000 0.777 0.784) 1.104 21.111 ( 0.000 -0.715 -2.926) 3.012 21.111 ( 0.000 0.715 -2.926) 3.012 21.304 ( 0.000 -0.166 0.015) 0.166 21.304 ( 0.000 0.166 0.015) 0.166 21.558 ( 0.000 -0.610 1.652) 1.761 21.558 ( 0.000 0.610 1.652) 1.761 21.865 ( 0.000 -0.950 4.361) 4.463 21.865 ( 0.000 0.950 4.361) 4.463 22.062 ( 0.000 -4.589 7.700) 8.964 22.062 ( 0.000 4.589 7.700) 8.964 22.407 ( 0.000 -0.241 -6.354) 6.358 22.407 ( 0.000 0.241 -6.354) 6.358 22.673 ( 0.000 -4.470 -1.184) 4.624 22.673 ( 0.000 4.470 -1.184) 4.624 23.584 ( 0.000 -0.115 0.335) 0.354 23.584 ( 0.000 0.115 0.335) 0.354 23.684 ( 0.000 -0.739 0.072) 0.742 23.684 ( 0.000 0.739 0.072) 0.742 24.094 ( 0.000 -1.470 0.491) 1.550 24.094 ( 0.000 1.470 0.491) 1.550 24.238 ( 0.000 -2.708 -1.640) 3.166 24.238 ( 0.000 2.708 -1.640) 3.166 24.622 ( 0.000 -0.996 0.261) 1.029 24.622 ( 0.000 0.996 0.261) 1.029 24.650 ( 0.000 -3.605 -1.704) 3.987 24.650 ( 0.000 3.605 -1.704) 3.987 ======================= Grid point 121 (46/48) ======================= q-point: ( 0.17 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 2.926 -6.848 7.208) 10.364 1.365 ( 2.926 6.848 7.208) 10.364 1.610 ( 1.911 -4.747 10.372) 11.566 1.610 ( 1.911 4.747 10.372) 11.566 1.809 ( -3.337 -2.253 7.134) 8.192 1.809 ( -3.337 2.253 7.134) 8.192 1.890 ( -1.523 -4.895 -2.064) 5.526 1.890 ( -1.523 4.895 -2.064) 5.526 1.983 ( -1.830 -3.593 -6.521) 7.667 1.983 ( -1.830 3.593 -6.521) 7.667 2.104 ( -4.172 -4.055 -11.056) 12.493 2.104 ( -4.172 4.055 -11.056) 12.493 2.418 ( -8.739 -2.280 10.087) 13.540 2.418 ( -8.739 2.280 10.087) 13.540 2.565 ( -3.354 -1.975 3.326) 5.120 2.565 ( -3.354 1.975 3.326) 5.120 2.677 ( -0.642 -1.866 3.500) 4.018 2.677 ( -0.642 1.866 3.500) 4.018 2.732 ( -2.029 -2.686 -0.878) 3.479 2.732 ( -2.029 2.686 -0.878) 3.479 2.774 ( -1.465 -1.536 2.227) 3.076 2.774 ( -1.465 1.536 2.227) 3.076 2.853 ( 0.425 -4.929 -4.752) 6.860 2.853 ( 0.425 4.929 -4.752) 6.860 3.043 ( -3.070 -2.366 0.625) 3.926 3.043 ( -3.070 2.366 0.625) 3.926 3.099 ( -3.042 -1.577 0.339) 3.443 3.099 ( -3.042 1.577 0.339) 3.443 3.211 ( -4.508 -0.931 0.469) 4.627 3.211 ( -4.508 0.931 0.469) 4.627 3.434 ( 2.556 -2.915 3.912) 5.507 3.434 ( 2.556 2.915 3.912) 5.507 3.524 ( 5.585 -0.621 0.267) 5.626 3.524 ( 5.585 0.621 0.267) 5.626 3.624 ( 6.109 -3.607 -0.666) 7.125 3.624 ( 6.109 3.607 -0.666) 7.125 3.664 ( -1.745 -2.549 0.289) 3.102 3.664 ( -1.745 2.549 0.289) 3.102 3.747 ( 0.867 -5.672 -0.475) 5.758 3.747 ( 0.867 5.672 -0.475) 5.758 3.810 ( 1.039 -0.738 -2.432) 2.745 3.810 ( 1.039 0.738 -2.432) 2.745 3.910 ( 2.576 -2.037 -4.913) 5.910 3.910 ( 2.576 2.037 -4.913) 5.910 4.052 ( -1.459 -3.416 2.333) 4.386 4.052 ( -1.459 3.416 2.333) 4.386 4.109 ( -1.801 -5.318 -0.436) 5.632 4.109 ( -1.801 5.318 -0.436) 5.632 4.272 ( 5.689 -4.342 -2.209) 7.490 4.272 ( 5.689 4.342 -2.209) 7.490 4.310 ( 5.386 -4.021 -2.285) 7.099 4.310 ( 5.386 4.021 -2.285) 7.099 4.551 ( 14.187 -1.196 -0.016) 14.237 4.551 ( 14.187 1.196 -0.016) 14.237 4.741 ( 1.838 -1.911 7.500) 7.955 4.741 ( 1.838 1.911 7.500) 7.955 4.827 ( 4.867 -1.847 2.979) 5.998 4.827 ( 4.867 1.847 2.979) 5.998 4.906 ( 2.239 -1.592 -2.223) 3.534 4.906 ( 2.239 1.592 -2.223) 3.534 5.090 ( 5.469 -7.468 4.481) 10.284 5.090 ( 5.469 7.468 4.481) 10.284 5.220 ( 3.738 -3.853 -4.434) 6.963 5.220 ( 3.738 3.853 -4.434) 6.963 5.432 ( -4.440 -3.178 2.379) 5.956 5.432 ( -4.440 3.178 2.379) 5.956 5.471 ( -1.109 -3.168 -1.861) 3.838 5.471 ( -1.109 3.168 -1.861) 3.838 5.728 ( -3.372 -3.761 5.594) 7.537 5.728 ( -3.372 3.761 5.594) 7.537 5.837 ( -3.383 -3.378 -1.860) 5.129 5.837 ( -3.383 3.378 -1.860) 5.129 5.927 ( -1.790 -1.958 1.434) 3.016 5.927 ( -1.790 1.958 1.434) 3.016 6.005 ( 0.787 -2.714 1.282) 3.103 6.005 ( 0.787 2.714 1.282) 3.103 6.153 ( -0.639 -3.126 -2.234) 3.895 6.153 ( -0.639 3.126 -2.234) 3.895 6.196 ( -5.182 -0.607 -1.418) 5.407 6.196 ( -5.182 0.607 -1.418) 5.407 6.432 ( -3.508 -1.827 1.612) 4.271 6.432 ( -3.508 1.827 1.612) 4.271 6.471 ( -3.556 -0.689 -1.789) 4.040 6.471 ( -3.556 0.689 -1.789) 4.040 6.645 ( -0.501 -3.882 3.284) 5.109 6.645 ( -0.501 3.882 3.284) 5.109 6.754 ( -2.077 -3.540 -4.978) 6.451 6.754 ( -2.077 3.540 -4.978) 6.451 7.181 ( -1.111 -2.387 1.325) 2.947 7.181 ( -1.111 2.387 1.325) 2.947 7.228 ( -0.733 -2.287 -2.919) 3.780 7.228 ( -0.733 2.287 -2.919) 3.780 7.406 ( 1.624 -0.762 -0.743) 1.941 7.406 ( 1.624 0.762 -0.743) 1.941 7.570 ( -1.630 -0.578 -0.085) 1.731 7.570 ( -1.630 0.578 -0.085) 1.731 9.869 ( 0.996 -0.078 0.422) 1.084 9.869 ( 0.996 0.078 0.422) 1.084 9.903 ( 2.004 -0.845 -2.567) 3.364 9.903 ( 2.004 0.845 -2.567) 3.364 10.284 ( 0.383 -0.977 0.045) 1.050 10.284 ( 0.383 0.977 0.045) 1.050 10.405 ( -6.504 -0.406 -0.228) 6.521 10.405 ( -6.504 0.406 -0.228) 6.521 10.512 ( -8.635 -1.020 0.879) 8.740 10.512 ( -8.635 1.020 0.879) 8.740 10.691 ( -17.635 -1.543 0.942) 17.727 10.691 ( -17.635 1.543 0.942) 17.727 11.433 ( 13.144 -0.595 0.133) 13.158 11.433 ( 13.144 0.595 0.133) 13.158 11.462 ( 13.042 -1.285 0.097) 13.105 11.462 ( 13.042 1.285 0.097) 13.105 11.822 ( -0.910 -1.007 0.718) 1.535 11.822 ( -0.910 1.007 0.718) 1.535 11.959 ( -1.851 -2.246 0.847) 3.031 11.959 ( -1.851 2.246 0.847) 3.031 12.320 ( 6.785 -0.936 -0.999) 6.922 12.320 ( 6.785 0.936 -0.999) 6.922 12.706 ( -1.983 -2.258 -0.993) 3.165 12.706 ( -1.983 2.258 -0.993) 3.165 12.880 ( 0.677 -0.745 -0.707) 1.229 12.880 ( 0.677 0.745 -0.707) 1.229 12.948 ( 2.089 -1.028 -0.473) 2.376 12.948 ( 2.089 1.028 -0.473) 2.376 13.263 ( 2.800 -1.426 -0.085) 3.143 13.263 ( 2.800 1.426 -0.085) 3.143 13.500 ( -0.786 -2.830 -1.818) 3.455 13.500 ( -0.786 2.830 -1.818) 3.455 13.559 ( 0.267 -1.100 1.218) 1.662 13.559 ( 0.267 1.100 1.218) 1.662 13.669 ( 1.032 -1.270 -3.719) 4.064 13.669 ( 1.032 1.270 -3.719) 4.064 19.948 ( 2.876 -1.306 7.408) 8.053 19.948 ( 2.876 1.306 7.408) 8.053 20.107 ( 2.773 -2.375 -3.205) 4.859 20.107 ( 2.773 2.375 -3.205) 4.859 20.432 ( -0.688 -3.000 0.024) 3.078 20.432 ( -0.688 3.000 0.024) 3.078 20.755 ( 1.169 -0.706 0.308) 1.400 20.755 ( 1.169 0.706 0.308) 1.400 20.997 ( 1.272 -0.746 0.929) 1.743 20.997 ( 1.272 0.746 0.929) 1.743 21.086 ( -2.813 -0.481 -2.727) 3.947 21.086 ( -2.813 0.481 -2.727) 3.947 21.318 ( 1.125 -1.023 0.576) 1.626 21.318 ( 1.125 1.023 0.576) 1.626 21.517 ( -3.591 -1.549 1.869) 4.335 21.517 ( -3.591 1.549 1.869) 4.335 21.692 ( -8.819 -3.274 0.991) 9.459 21.692 ( -8.819 3.274 0.991) 9.459 22.165 ( -2.162 -7.563 9.856) 12.610 22.165 ( -2.162 7.563 9.856) 12.610 22.383 ( 4.313 -6.141 -8.608) 11.420 22.383 ( 4.313 6.141 -8.608) 11.420 22.710 ( 1.956 -3.154 -0.767) 3.790 22.710 ( 1.956 3.154 -0.767) 3.790 23.598 ( 1.315 -0.253 0.328) 1.379 23.598 ( 1.315 0.253 0.328) 1.379 23.680 ( -0.375 -0.759 0.096) 0.852 23.680 ( -0.375 0.759 0.096) 0.852 24.105 ( 1.105 -1.630 0.239) 1.984 24.105 ( 1.105 1.630 0.239) 1.984 24.225 ( -1.158 -2.650 -1.499) 3.257 24.225 ( -1.158 2.650 -1.499) 3.257 24.626 ( 0.413 -2.003 0.558) 2.120 24.626 ( 0.413 2.003 0.558) 2.120 24.654 ( 0.290 -3.782 -1.926) 4.254 24.654 ( 0.290 3.782 -1.926) 4.254 ======================= Grid point 123 (47/48) ======================= q-point: ( 0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 3.568 -5.992 9.361) 11.673 1.433 ( 3.568 5.992 9.361) 11.673 1.600 ( -4.157 -4.704 4.523) 7.737 1.600 ( -4.157 4.704 4.523) 7.737 1.753 ( -0.133 -1.685 7.909) 8.088 1.753 ( -0.133 1.685 7.909) 8.088 1.842 ( -1.198 -8.127 -0.101) 8.215 1.842 ( -1.198 8.127 -0.101) 8.215 1.952 ( -0.963 -3.569 -5.817) 6.892 1.952 ( -0.963 3.569 -5.817) 6.892 2.120 ( 1.048 -0.897 -7.896) 8.016 2.120 ( 1.048 0.897 -7.896) 8.016 2.216 ( -7.185 -3.131 5.808) 9.755 2.216 ( -7.185 3.131 5.808) 9.755 2.451 ( -7.490 -1.652 1.103) 7.749 2.451 ( -7.490 1.652 1.103) 7.749 2.656 ( -1.425 -2.348 1.847) 3.310 2.656 ( -1.425 2.348 1.847) 3.310 2.693 ( -1.296 -3.554 0.997) 3.912 2.693 ( -1.296 3.554 0.997) 3.912 2.754 ( -1.173 -2.836 0.365) 3.090 2.754 ( -1.173 2.836 0.365) 3.090 2.846 ( -0.986 -1.882 -4.519) 4.994 2.846 ( -0.986 1.882 -4.519) 4.994 2.975 ( -1.881 -0.428 1.171) 2.257 2.975 ( -1.881 0.428 1.171) 2.257 3.078 ( -1.043 -0.416 0.750) 1.350 3.078 ( -1.043 0.416 0.750) 1.350 3.164 ( 1.615 -1.852 -0.593) 2.527 3.164 ( 1.615 1.852 -0.593) 2.527 3.404 ( -6.049 -2.576 -2.526) 7.043 3.404 ( -6.049 2.576 -2.526) 7.043 3.571 ( 1.523 -0.362 3.513) 3.846 3.571 ( 1.523 0.362 3.513) 3.846 3.671 ( -0.481 -4.330 -2.916) 5.243 3.671 ( -0.481 4.330 -2.916) 5.243 3.711 ( 4.379 -2.788 0.673) 5.235 3.711 ( 4.379 2.788 0.673) 5.235 3.771 ( -0.370 -2.127 2.769) 3.511 3.771 ( -0.370 2.127 2.769) 3.511 3.885 ( 4.752 -4.837 1.872) 7.034 3.885 ( 4.752 4.837 1.872) 7.034 3.936 ( 1.021 -4.959 -1.657) 5.327 3.936 ( 1.021 4.959 -1.657) 5.327 4.040 ( -0.354 -3.276 2.723) 4.274 4.040 ( -0.354 3.276 2.723) 4.274 4.091 ( 0.296 -3.211 -2.848) 4.303 4.091 ( 0.296 3.211 -2.848) 4.303 4.415 ( 9.082 -3.628 0.593) 9.798 4.415 ( 9.082 3.628 0.593) 9.798 4.491 ( 11.038 -2.508 -2.623) 11.620 4.491 ( 11.038 2.508 -2.623) 11.620 4.732 ( -1.009 -4.101 8.293) 9.306 4.732 ( -1.010 4.101 8.293) 9.306 4.825 ( 6.119 -4.697 0.768) 7.752 4.825 ( 6.119 4.697 0.768) 7.752 4.920 ( 5.449 -3.057 4.314) 7.592 4.920 ( 5.449 3.057 4.314) 7.592 4.989 ( 5.185 -1.154 1.439) 5.503 4.989 ( 5.185 1.154 1.439) 5.503 5.198 ( 4.757 -5.285 1.234) 7.216 5.198 ( 4.757 5.285 1.234) 7.216 5.272 ( -0.014 -0.977 -0.748) 1.231 5.272 ( -0.014 0.977 -0.748) 1.231 5.357 ( 0.634 -3.965 -1.385) 4.247 5.357 ( 0.634 3.965 -1.385) 4.247 5.455 ( -1.774 -6.153 -4.573) 7.869 5.455 ( -1.774 6.153 -4.573) 7.869 5.646 ( -3.870 -2.984 3.471) 5.994 5.646 ( -3.870 2.984 3.471) 5.994 5.745 ( -5.627 -3.938 -1.774) 7.093 5.745 ( -5.627 3.938 -1.774) 7.093 5.874 ( -2.269 -1.869 -0.591) 2.998 5.874 ( -2.269 1.869 -0.591) 2.998 5.983 ( -6.280 -1.505 1.510) 6.632 5.983 ( -6.280 1.505 1.510) 6.632 6.100 ( 1.961 -3.933 1.693) 4.710 6.100 ( 1.961 3.933 1.693) 4.710 6.189 ( 1.140 -3.369 -2.579) 4.393 6.189 ( 1.140 3.369 -2.579) 4.393 6.350 ( -3.826 -1.300 -0.292) 4.052 6.350 ( -3.826 1.300 -0.292) 4.052 6.392 ( -4.053 -1.099 -0.928) 4.300 6.392 ( -4.053 1.099 -0.928) 4.300 6.633 ( -0.347 -3.338 1.914) 3.864 6.633 ( -0.347 3.338 1.914) 3.864 6.698 ( -3.236 -3.280 -3.050) 5.525 6.698 ( -3.236 3.280 -3.050) 5.525 7.163 ( -0.430 -2.622 0.197) 2.665 7.163 ( -0.430 2.622 0.197) 2.665 7.202 ( -1.713 -2.695 -2.580) 4.105 7.202 ( -1.713 2.695 -2.580) 4.105 7.448 ( 2.406 -0.611 -0.794) 2.606 7.448 ( 2.406 0.611 -0.794) 2.606 7.535 ( -1.886 -0.512 -0.165) 1.961 7.535 ( -1.886 0.512 -0.165) 1.961 9.911 ( 3.473 -0.815 1.335) 3.809 9.911 ( 3.473 0.815 1.335) 3.809 9.965 ( 4.501 -0.963 -2.350) 5.168 9.965 ( 4.501 0.963 -2.350) 5.168 10.193 ( -10.881 -0.749 0.588) 10.923 10.193 ( -10.881 0.749 0.588) 10.923 10.264 ( -5.775 -0.612 -0.081) 5.808 10.264 ( -5.775 0.612 -0.081) 5.808 10.397 ( -5.177 -1.654 1.822) 5.732 10.397 ( -5.177 1.654 1.822) 5.732 10.444 ( -4.299 -2.527 -1.599) 5.237 10.444 ( -4.299 2.527 -1.599) 5.237 11.653 ( 7.155 -4.455 0.839) 8.470 11.653 ( 7.155 4.455 0.839) 8.470 11.675 ( 9.709 -4.809 -0.467) 10.845 11.675 ( 9.709 4.809 -0.467) 10.845 11.798 ( -1.459 -1.523 0.847) 2.273 11.798 ( -1.459 1.523 0.847) 2.273 11.913 ( -2.940 -2.463 0.404) 3.856 11.913 ( -2.940 2.463 0.404) 3.856 12.473 ( 7.685 -1.185 -0.797) 7.817 12.473 ( 7.685 1.185 -0.797) 7.817 12.664 ( -2.470 -2.113 -1.070) 3.422 12.664 ( -2.470 2.113 -1.070) 3.422 12.901 ( 1.498 -0.801 -0.734) 1.851 12.901 ( 1.498 0.801 -0.734) 1.851 12.964 ( -0.552 -0.603 -0.630) 1.032 12.964 ( -0.552 0.603 -0.630) 1.032 13.336 ( 4.088 -2.428 1.201) 4.904 13.336 ( 4.088 2.428 1.201) 4.904 13.465 ( -2.417 -3.474 -1.361) 4.446 13.465 ( -2.417 3.474 -1.361) 4.446 13.592 ( 2.724 -2.319 0.185) 3.582 13.592 ( 2.724 2.319 0.185) 3.582 13.677 ( -0.448 -2.107 -3.701) 4.282 13.677 ( -0.448 2.107 -3.701) 4.282 20.024 ( 4.441 -2.169 7.148) 8.690 20.024 ( 4.441 2.169 7.148) 8.690 20.148 ( 0.269 -3.401 0.962) 3.545 20.148 ( 0.269 3.401 0.962) 3.545 20.454 ( 3.978 -2.749 -1.177) 4.977 20.454 ( 3.978 2.749 -1.177) 4.977 20.742 ( -4.314 -3.142 1.056) 5.441 20.742 ( -4.314 3.142 1.056) 5.441 20.997 ( -0.942 -1.751 0.029) 1.988 20.997 ( -0.942 1.751 0.029) 1.988 21.039 ( -0.452 -0.776 -1.714) 1.936 21.039 ( -0.452 0.776 -1.714) 1.936 21.331 ( 0.423 -2.260 0.907) 2.472 21.331 ( 0.423 2.260 0.907) 2.472 21.439 ( -4.472 -2.612 -0.819) 5.243 21.439 ( -4.472 2.612 -0.819) 5.243 21.630 ( 3.223 -1.987 -0.283) 3.797 21.630 ( 3.223 1.987 -0.283) 3.797 21.991 ( -11.351 -1.662 2.635) 11.770 21.991 ( -11.351 1.662 2.635) 11.770 22.539 ( 7.797 -1.143 -2.465) 8.257 22.539 ( 7.797 1.143 -2.465) 8.257 22.717 ( -1.358 -1.750 -0.660) 2.311 22.717 ( -1.358 1.750 -0.660) 2.311 23.628 ( 1.483 -0.471 0.288) 1.582 23.628 ( 1.483 0.471 0.288) 1.582 23.669 ( -0.684 -0.760 0.123) 1.029 23.669 ( -0.684 0.760 0.123) 1.029 24.134 ( 1.730 -1.936 -0.263) 2.610 24.134 ( 1.730 1.936 -0.263) 2.610 24.198 ( -1.429 -2.494 -1.132) 3.089 24.198 ( -1.429 2.494 -1.132) 3.089 24.637 ( 0.679 -2.762 0.343) 2.865 24.637 ( 0.679 2.762 0.343) 2.865 24.657 ( -0.083 -3.666 -1.591) 3.997 24.657 ( -0.083 3.666 -1.591) 3.997 ======================= Grid point 125 (48/48) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -4.158 -4.188 7.839) 9.813 1.507 ( 4.158 -4.188 7.839) 9.813 1.507 ( -4.158 4.188 7.839) 9.813 1.507 ( 4.158 4.188 7.839) 9.813 1.798 ( -3.071 -4.004 -0.816) 5.112 1.798 ( -0.074 -3.699 -0.816) 3.788 1.798 ( 0.074 3.699 -0.816) 3.788 1.798 ( 3.071 4.004 -0.816) 5.112 1.998 ( -5.651 -2.532 1.832) 6.457 1.998 ( -3.469 -1.198 1.832) 4.102 1.998 ( 3.469 1.198 1.832) 4.102 1.998 ( 5.651 2.532 1.832) 6.457 2.292 ( -7.172 -2.392 -1.632) 7.735 2.292 ( -5.485 -0.619 -1.632) 5.756 2.292 ( 5.485 0.619 -1.632) 5.756 2.292 ( 7.172 2.392 -1.632) 7.735 2.657 ( -0.905 -3.943 0.722) 4.109 2.657 ( 0.429 -3.922 0.722) 4.011 2.657 ( -0.429 3.922 0.722) 4.011 2.657 ( 0.905 3.943 0.722) 4.109 2.779 ( -3.138 -0.883 -1.749) 3.700 2.779 ( -2.779 -0.499 -1.749) 3.322 2.779 ( 2.779 0.499 -1.749) 3.322 2.779 ( 3.138 0.883 -1.749) 3.700 3.023 ( -3.469 -1.626 0.686) 3.892 3.023 ( -2.532 -1.113 0.686) 2.850 3.023 ( 2.532 1.113 0.686) 2.850 3.023 ( 3.469 1.626 0.686) 3.892 3.260 ( -6.694 -3.284 -2.055) 7.734 3.260 ( -2.647 -1.155 -2.055) 3.544 3.260 ( 2.647 1.155 -2.055) 3.544 3.260 ( 6.694 3.284 -2.055) 7.734 3.623 ( -2.979 -1.411 -0.964) 3.435 3.623 ( -1.570 -0.623 -0.964) 1.945 3.623 ( 1.570 0.623 -0.964) 1.945 3.623 ( 2.979 1.411 -0.964) 3.435 3.763 ( -0.924 -3.170 3.412) 4.748 3.763 ( 0.898 -3.168 3.412) 4.742 3.763 ( -0.898 3.168 3.412) 4.742 3.763 ( 0.924 3.170 3.412) 4.748 3.935 ( -0.845 -5.439 -0.213) 5.508 3.935 ( 0.545 -5.429 -0.213) 5.461 3.935 ( -0.545 5.429 -0.213) 5.461 3.935 ( 0.845 5.439 -0.213) 5.508 4.074 ( -2.294 -3.522 0.514) 4.234 4.074 ( 2.294 -3.522 0.514) 4.234 4.074 ( -2.294 3.522 0.514) 4.234 4.074 ( 2.294 3.522 0.514) 4.234 4.590 ( -5.414 -2.734 4.540) 7.576 4.590 ( 0.714 -0.525 4.540) 4.626 4.590 ( -0.714 0.525 4.540) 4.626 4.590 ( 5.414 2.734 4.540) 7.576 4.753 ( -6.380 -4.712 0.614) 7.955 4.753 ( 4.840 -4.229 0.614) 6.456 4.753 ( -4.840 4.229 0.614) 6.456 4.753 ( 6.380 4.712 0.614) 7.955 5.035 ( -1.615 -3.497 3.838) 5.437 5.035 ( 1.436 -3.477 3.838) 5.374 5.035 ( -1.436 3.477 3.838) 5.374 5.035 ( 1.615 3.497 3.838) 5.437 5.273 ( -2.474 -6.816 1.792) 7.469 5.273 ( 2.458 -6.814 1.792) 7.462 5.273 ( -2.458 6.814 1.792) 7.462 5.273 ( 2.474 6.816 1.792) 7.469 5.396 ( -3.101 -5.852 -4.928) 8.255 5.396 ( 3.078 -5.849 -4.928) 8.245 5.396 ( -3.078 5.849 -4.928) 8.245 5.396 ( 3.101 5.852 -4.928) 8.255 5.639 ( -3.159 -4.054 -0.382) 5.154 5.639 ( 1.087 -3.773 -0.382) 3.945 5.639 ( -1.087 3.773 -0.382) 3.945 5.639 ( 3.159 4.054 -0.382) 5.154 5.874 ( -1.523 -5.039 -0.737) 5.315 5.874 ( 0.145 -4.982 -0.737) 5.038 5.874 ( -0.145 4.982 -0.737) 5.038 5.874 ( 1.523 5.039 -0.737) 5.315 6.171 ( -2.996 -4.393 1.270) 5.467 6.171 ( 1.916 -4.240 1.270) 4.823 6.171 ( -1.916 4.240 1.270) 4.823 6.171 ( 2.996 4.393 1.270) 5.467 6.327 ( -1.523 -2.162 -1.541) 3.061 6.327 ( 0.561 -2.043 -1.541) 2.620 6.327 ( -0.561 2.043 -1.541) 2.620 6.327 ( 1.523 2.162 -1.541) 3.061 6.645 ( -1.693 -2.099 -0.489) 2.740 6.645 ( 1.430 -2.049 -0.489) 2.546 6.645 ( -1.430 2.049 -0.489) 2.546 6.645 ( 1.693 2.099 -0.489) 2.740 7.171 ( -0.986 -3.628 -1.380) 4.005 7.171 ( 0.818 -3.618 -1.380) 3.957 7.171 ( -0.818 3.618 -1.380) 3.957 7.171 ( 0.986 3.628 -1.380) 4.005 7.495 ( -0.925 -3.451 -0.565) 3.617 7.495 ( -0.380 -3.425 -0.565) 3.492 7.495 ( 0.380 3.425 -0.565) 3.492 7.495 ( 0.925 3.451 -0.565) 3.617 10.014 ( -7.034 -1.105 1.038) 7.196 10.014 ( -7.009 1.065 1.038) 7.165 10.014 ( 7.009 -1.065 1.038) 7.165 10.014 ( 7.034 1.105 1.038) 7.196 10.091 ( -8.254 -0.934 -0.847) 8.349 10.091 ( -8.147 0.659 -0.847) 8.217 10.091 ( 8.147 -0.659 -0.847) 8.217 10.091 ( 8.254 0.934 -0.847) 8.349 10.390 ( -1.680 -1.551 -0.256) 2.301 10.390 ( 0.257 -1.310 -0.256) 1.360 10.390 ( -0.257 1.310 -0.256) 1.360 10.390 ( 1.680 1.551 -0.256) 2.301 11.748 ( -2.365 -4.179 0.625) 4.843 11.748 ( 1.241 -4.056 0.625) 4.287 11.748 ( -1.241 4.056 0.625) 4.287 11.748 ( 2.365 4.179 0.625) 4.843 11.834 ( -4.808 -3.120 0.169) 5.734 11.834 ( -0.689 -2.018 0.169) 2.139 11.834 ( 0.689 2.018 0.169) 2.139 11.834 ( 4.808 3.120 0.169) 5.734 12.597 ( -3.609 -3.482 -0.863) 5.089 12.597 ( -0.721 -3.000 -0.863) 3.204 12.597 ( 0.721 3.000 -0.863) 3.204 12.597 ( 3.609 3.482 -0.863) 5.089 12.936 ( -0.668 -4.177 -0.764) 4.299 12.936 ( -0.147 -4.164 -0.764) 4.237 12.936 ( 0.147 4.164 -0.764) 4.237 12.936 ( 0.668 4.177 -0.764) 4.299 13.409 ( -2.642 -4.584 0.730) 5.341 13.409 ( 1.373 -4.443 0.730) 4.707 13.409 ( -1.373 4.443 0.730) 4.707 13.409 ( 2.642 4.584 0.730) 5.341 13.648 ( -2.392 -2.654 -2.367) 4.286 13.648 ( 2.270 -2.627 -2.367) 4.202 13.648 ( -2.270 2.627 -2.367) 4.202 13.648 ( 2.392 2.654 -2.367) 4.286 20.109 ( -3.395 -3.785 5.210) 7.280 20.109 ( 1.856 -3.508 5.210) 6.549 20.109 ( -1.856 3.508 5.210) 6.549 20.109 ( 3.395 3.785 5.210) 7.280 20.591 ( -6.762 -7.833 -0.566) 10.363 20.591 ( -0.494 -7.070 -0.566) 7.110 20.591 ( 0.494 7.070 -0.566) 7.110 20.591 ( 6.762 7.833 -0.566) 10.363 21.019 ( -1.073 -3.382 -0.832) 3.645 21.019 ( 0.135 -3.340 -0.832) 3.445 21.019 ( -0.135 3.340 -0.832) 3.445 21.019 ( 1.073 3.382 -0.832) 3.645 21.359 ( -2.497 -2.690 -0.621) 3.723 21.359 ( 0.934 -2.428 -0.621) 2.675 21.359 ( -0.934 2.428 -0.621) 2.675 21.359 ( 2.497 2.690 -0.621) 3.723 21.774 ( -7.298 -3.729 0.494) 8.211 21.774 ( -6.705 -3.439 0.494) 7.552 21.774 ( 6.705 3.439 0.494) 7.552 21.774 ( 7.298 3.729 0.494) 8.211 22.659 ( -2.554 -3.838 -1.107) 4.741 22.659 ( -1.484 -3.694 -1.107) 4.132 22.659 ( 1.484 3.694 -1.107) 4.132 22.659 ( 2.554 3.838 -1.107) 4.741 23.653 ( -1.019 -0.651 0.191) 1.224 23.653 ( 0.942 -0.622 0.191) 1.145 23.653 ( -0.942 0.622 0.191) 1.145 23.653 ( 1.019 0.651 0.191) 1.224 24.168 ( -1.349 -3.013 -0.713) 3.377 24.168 ( 0.927 -2.972 -0.713) 3.194 24.168 ( -0.927 2.972 -0.713) 3.194 24.168 ( 1.349 3.013 -0.713) 3.377 24.650 ( -0.554 -3.351 -0.597) 3.448 24.650 ( 0.546 -3.351 -0.597) 3.447 24.650 ( -0.546 3.351 -0.597) 3.447 24.650 ( 0.554 3.351 -0.597) 3.448 =================== 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 3/28224 10.0 34.269 51.549 88.629 0.000 0.000 0.000 3/28224 20.0 6.318 10.868 28.108 0.000 0.000 0.000 3/28224 30.0 2.686 4.441 12.323 0.000 0.000 0.000 3/28224 40.0 1.677 2.594 7.124 0.000 0.000 0.000 3/28224 50.0 1.242 1.815 4.847 0.000 0.000 0.000 3/28224 60.0 1.004 1.403 3.638 0.000 0.000 0.000 3/28224 70.0 0.853 1.151 2.908 0.000 0.000 0.000 3/28224 80.0 0.748 0.982 2.425 0.000 0.000 0.000 3/28224 90.0 0.672 0.861 2.083 0.000 0.000 0.000 3/28224 100.0 0.613 0.770 1.829 0.000 0.000 0.000 3/28224 110.0 0.567 0.699 1.633 0.000 0.000 0.000 3/28224 120.0 0.529 0.642 1.477 0.000 0.000 0.000 3/28224 130.0 0.498 0.596 1.350 0.000 0.000 0.000 3/28224 140.0 0.472 0.557 1.245 0.000 0.000 0.000 3/28224 150.0 0.449 0.524 1.157 0.000 0.000 0.000 3/28224 160.0 0.428 0.496 1.081 0.000 0.000 0.000 3/28224 170.0 0.410 0.471 1.016 0.000 0.000 0.000 3/28224 180.0 0.394 0.449 0.958 0.000 0.000 0.000 3/28224 190.0 0.380 0.430 0.908 0.000 0.000 0.000 3/28224 200.0 0.366 0.412 0.863 0.000 0.000 0.000 3/28224 210.0 0.354 0.397 0.823 0.000 0.000 0.000 3/28224 220.0 0.342 0.382 0.786 0.000 0.000 0.000 3/28224 230.0 0.332 0.369 0.753 0.000 0.000 0.000 3/28224 240.0 0.322 0.357 0.723 0.000 0.000 0.000 3/28224 250.0 0.313 0.346 0.696 0.000 0.000 0.000 3/28224 260.0 0.304 0.336 0.670 0.000 0.000 0.000 3/28224 270.0 0.296 0.326 0.647 0.000 0.000 0.000 3/28224 280.0 0.288 0.317 0.625 0.000 0.000 0.000 3/28224 290.0 0.280 0.308 0.605 0.000 0.000 0.000 3/28224 300.0 0.273 0.300 0.586 0.000 0.000 0.000 3/28224 310.0 0.266 0.292 0.568 0.000 0.000 0.000 3/28224 320.0 0.260 0.285 0.552 0.000 0.000 0.000 3/28224 330.0 0.254 0.278 0.536 0.000 0.000 0.000 3/28224 340.0 0.248 0.272 0.521 0.000 0.000 0.000 3/28224 350.0 0.243 0.266 0.507 0.000 0.000 0.000 3/28224 360.0 0.237 0.260 0.494 0.000 0.000 0.000 3/28224 370.0 0.232 0.254 0.482 0.000 0.000 0.000 3/28224 380.0 0.227 0.248 0.470 0.000 0.000 0.000 3/28224 390.0 0.222 0.243 0.458 0.000 0.000 0.000 3/28224 400.0 0.218 0.238 0.448 0.000 0.000 0.000 3/28224 410.0 0.214 0.233 0.437 0.000 0.000 0.000 3/28224 420.0 0.209 0.229 0.428 0.000 0.000 0.000 3/28224 430.0 0.205 0.224 0.418 0.000 0.000 0.000 3/28224 440.0 0.201 0.220 0.409 0.000 0.000 0.000 3/28224 450.0 0.198 0.216 0.401 0.000 0.000 0.000 3/28224 460.0 0.194 0.212 0.392 0.000 0.000 0.000 3/28224 470.0 0.190 0.208 0.385 0.000 0.000 0.000 3/28224 480.0 0.187 0.204 0.377 0.000 0.000 0.000 3/28224 490.0 0.184 0.201 0.370 0.000 0.000 0.000 3/28224 500.0 0.181 0.197 0.363 0.000 0.000 0.000 3/28224 510.0 0.177 0.194 0.356 0.000 0.000 0.000 3/28224 520.0 0.175 0.191 0.349 0.000 0.000 0.000 3/28224 530.0 0.172 0.188 0.343 0.000 0.000 0.000 3/28224 540.0 0.169 0.185 0.337 0.000 0.000 0.000 3/28224 550.0 0.166 0.182 0.331 0.000 0.000 0.000 3/28224 560.0 0.164 0.179 0.326 0.000 0.000 0.000 3/28224 570.0 0.161 0.176 0.320 0.000 0.000 0.000 3/28224 580.0 0.158 0.173 0.315 0.000 0.000 0.000 3/28224 590.0 0.156 0.171 0.310 0.000 0.000 0.000 3/28224 600.0 0.154 0.168 0.305 0.000 0.000 0.000 3/28224 610.0 0.151 0.166 0.300 0.000 0.000 0.000 3/28224 620.0 0.149 0.163 0.295 0.000 0.000 0.000 3/28224 630.0 0.147 0.161 0.291 0.000 0.000 0.000 3/28224 640.0 0.145 0.159 0.286 0.000 0.000 0.000 3/28224 650.0 0.143 0.156 0.282 0.000 0.000 0.000 3/28224 660.0 0.141 0.154 0.278 0.000 0.000 0.000 3/28224 670.0 0.139 0.152 0.274 0.000 0.000 0.000 3/28224 680.0 0.137 0.150 0.270 0.000 0.000 0.000 3/28224 690.0 0.135 0.148 0.266 0.000 0.000 0.000 3/28224 700.0 0.134 0.146 0.263 0.000 0.000 0.000 3/28224 710.0 0.132 0.144 0.259 0.000 0.000 0.000 3/28224 720.0 0.130 0.142 0.256 0.000 0.000 0.000 3/28224 730.0 0.129 0.141 0.252 0.000 0.000 0.000 3/28224 740.0 0.127 0.139 0.249 0.000 0.000 0.000 3/28224 750.0 0.125 0.137 0.246 0.000 0.000 0.000 3/28224 760.0 0.124 0.136 0.243 0.000 0.000 0.000 3/28224 770.0 0.122 0.134 0.240 0.000 0.000 0.000 3/28224 780.0 0.121 0.132 0.237 0.000 0.000 0.000 3/28224 790.0 0.119 0.131 0.234 0.000 0.000 0.000 3/28224 800.0 0.118 0.129 0.231 0.000 0.000 0.000 3/28224 810.0 0.117 0.128 0.228 0.000 0.000 0.000 3/28224 820.0 0.115 0.126 0.225 0.000 0.000 0.000 3/28224 830.0 0.114 0.125 0.223 0.000 0.000 0.000 3/28224 840.0 0.113 0.123 0.220 0.000 0.000 0.000 3/28224 850.0 0.112 0.122 0.218 0.000 0.000 0.000 3/28224 860.0 0.110 0.121 0.215 0.000 0.000 0.000 3/28224 870.0 0.109 0.119 0.213 0.000 0.000 0.000 3/28224 880.0 0.108 0.118 0.210 0.000 0.000 0.000 3/28224 890.0 0.107 0.117 0.208 0.000 0.000 0.000 3/28224 900.0 0.106 0.116 0.206 0.000 0.000 0.000 3/28224 910.0 0.105 0.115 0.204 0.000 0.000 0.000 3/28224 920.0 0.103 0.113 0.201 0.000 0.000 0.000 3/28224 930.0 0.102 0.112 0.199 0.000 0.000 0.000 3/28224 940.0 0.101 0.111 0.197 0.000 0.000 0.000 3/28224 950.0 0.100 0.110 0.195 0.000 0.000 0.000 3/28224 960.0 0.099 0.109 0.193 0.000 0.000 0.000 3/28224 970.0 0.098 0.108 0.191 0.000 0.000 0.000 3/28224 980.0 0.097 0.107 0.189 0.000 0.000 0.000 3/28224 990.0 0.096 0.106 0.187 0.000 0.000 0.000 3/28224 1000.0 0.096 0.105 0.186 0.000 0.000 0.000 3/28224 Thermal conductivity related properties were written into "kappa-m647.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:34:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|