----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:21:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.051693100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.144988640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.122748130000000 Atomic positions (fractional): *1 Li 0.89658890883155 0.84270580821689 0.88128620827421 6.941 2 Li 0.39658890883155 0.65729419178311 0.11871379172579 6.941 3 Li 0.60341109116845 0.15729419178311 0.38128620827421 6.941 4 Li 0.10341109116845 0.34270580821689 0.61871379172579 6.941 5 Li 0.10341109116845 0.15729419178311 0.11871379172579 6.941 6 Li 0.60341109116845 0.34270580821689 0.88128620827421 6.941 7 Li 0.39658890883155 0.84270580821689 0.61871379172579 6.941 8 Li 0.89658890883155 0.65729419178311 0.38128620827421 6.941 *9 Li 0.89611511104267 0.14670050450446 0.62672412358150 6.941 10 Li 0.39611511104267 0.35329949549554 0.37327587641850 6.941 11 Li 0.60388488895733 0.85329949549554 0.12672412358150 6.941 12 Li 0.10388488895733 0.64670050450446 0.87327587641850 6.941 13 Li 0.10388488895733 0.85329949549554 0.37327587641850 6.941 14 Li 0.60388488895733 0.64670050450446 0.62672412358150 6.941 15 Li 0.39611511104267 0.14670050450446 0.87327587641850 6.941 16 Li 0.89611511104267 0.35329949549554 0.12672412358150 6.941 *17 Li 0.85936276652326 0.10653245929096 0.88877460961914 6.941 18 Li 0.35936276652326 0.39346754070904 0.11122539038086 6.941 19 Li 0.64063723347674 0.89346754070904 0.38877460961914 6.941 *20 Li 0.83585243251069 0.62011426176288 0.10725132824504 6.941 21 Li 0.14063723347674 0.89346754070904 0.11122539038086 6.941 22 Li 0.64063723347674 0.60653245929096 0.88877460961914 6.941 23 Li 0.35936276652326 0.10653245929096 0.61122539038086 6.941 24 Li 0.85936276652326 0.39346754070904 0.38877460961914 6.941 *25 Li 0.87286817483886 0.62072130765865 0.64617741141989 6.941 26 Li 0.37286817483885 0.87927869234135 0.35382258858011 6.941 27 Li 0.62713182516114 0.37927869234134 0.14617741141989 6.941 28 Li 0.12713182516114 0.12072130765866 0.85382258858011 6.941 29 Li 0.12713182516114 0.37927869234134 0.35382258858011 6.941 30 Li 0.62713182516114 0.12072130765866 0.64617741141989 6.941 31 Li 0.37286817483885 0.62072130765865 0.85382258858011 6.941 32 Li 0.87286817483886 0.87927869234135 0.14617741141989 6.941 33 Li 0.83585243251069 0.87988573823712 0.60725132824504 6.941 34 Li 0.33585243251069 0.62011426176288 0.39274867175496 6.941 35 Li 0.66414756748931 0.12011426176288 0.10725132824504 6.941 36 Li 0.16414756748931 0.37988573823712 0.89274867175496 6.941 37 Li 0.16414756748931 0.12011426176288 0.39274867175496 6.941 38 Li 0.66414756748931 0.37988573823712 0.60725132824504 6.941 39 Li 0.33585243251069 0.87988573823712 0.89274867175496 6.941 40 Li 0.14063723347674 0.60653245929096 0.61122539038086 6.941 *41 O 0.76132439932604 0.25434234524992 0.75076767295796 15.999 42 O 0.26132439932604 0.24565765475008 0.24923232704203 15.999 43 O 0.73867560067396 0.74565765475008 0.25076767295796 15.999 44 O 0.23867560067396 0.75434234524992 0.74923232704204 15.999 45 O 0.23867560067396 0.74565765475008 0.24923232704203 15.999 46 O 0.73867560067396 0.75434234524992 0.75076767295796 15.999 47 O 0.26132439932604 0.25434234524992 0.74923232704204 15.999 48 O 0.76132439932604 0.24565765475008 0.25076767295796 15.999 *49 O 0.75532248879411 0.46581306452238 0.99189863535042 15.999 50 O 0.25532248879411 0.03418693547762 0.00810136464958 15.999 51 O 0.74467751120589 0.53418693547762 0.49189863535042 15.999 52 O 0.24467751120589 0.96581306452238 0.50810136464958 15.999 53 O 0.24467751120589 0.53418693547762 0.00810136464958 15.999 54 O 0.74467751120589 0.96581306452238 0.99189863535042 15.999 55 O 0.25532248879411 0.46581306452238 0.50810136464958 15.999 56 O 0.75532248879411 0.03418693547762 0.49189863535042 15.999 *57 O 0.00090096791725 0.25558211052821 0.96719589001816 15.999 58 O 0.50090096791725 0.24441788947179 0.03280410998184 15.999 59 O 0.49909903208275 0.74441788947179 0.46719589001816 15.999 60 O 0.99909903208275 0.75558211052821 0.53280410998184 15.999 *61 O 0.01385269867915 0.00489737720130 0.24955930713995 15.999 62 O 0.49909903208275 0.75558211052821 0.96719589001816 15.999 63 O 0.50090096791725 0.25558211052821 0.53280410998184 15.999 64 O 0.00090096791725 0.24441788947179 0.46719589001816 15.999 65 O 0.01385269867915 0.49510262279870 0.74955930713995 15.999 66 O 0.51385269867915 0.00489737720130 0.25044069286005 15.999 67 O 0.48614730132085 0.50489737720130 0.24955930713995 15.999 68 O 0.98614730132085 0.99510262279870 0.75044069286005 15.999 69 O 0.98614730132085 0.50489737720130 0.25044069286005 15.999 70 O 0.48614730132085 0.99510262279870 0.74955930713995 15.999 71 O 0.51385269867915 0.49510262279870 0.75044069286005 15.999 72 O 0.99909903208275 0.74441788947179 0.03280410998184 15.999 *73 Ga 0.88279172584884 0.38254826845463 0.85448242188245 69.723 74 Ga 0.38279172584884 0.11745173154537 0.14551757811755 69.723 75 Ga 0.61720827415116 0.61745173154537 0.35448242188245 69.723 76 Ga 0.11720827415116 0.88254826845463 0.64551757811755 69.723 77 Ga 0.11720827415116 0.61745173154537 0.14551757811755 69.723 78 Ga 0.61720827415116 0.88254826845463 0.85448242188245 69.723 79 Ga 0.38279172584884 0.38254826845463 0.64551757811755 69.723 80 Ga 0.88279172584884 0.11745173154537 0.35448242188245 69.723 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.051693100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.144988640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.122748130000000 Atomic positions (fractional): *1 Li 0.89658890883155 0.84270580821689 0.88128620827421 6.941 > 1 2 Li 0.39658890883155 0.65729419178311 0.11871379172579 6.941 > 2 3 Li 0.60341109116845 0.15729419178311 0.38128620827421 6.941 > 3 4 Li 0.10341109116845 0.34270580821689 0.61871379172579 6.941 > 4 5 Li 0.10341109116845 0.15729419178311 0.11871379172579 6.941 > 5 6 Li 0.60341109116845 0.34270580821689 0.88128620827421 6.941 > 6 7 Li 0.39658890883155 0.84270580821689 0.61871379172579 6.941 > 7 8 Li 0.89658890883155 0.65729419178311 0.38128620827421 6.941 > 8 *9 Li 0.89611511104267 0.14670050450446 0.62672412358150 6.941 > 9 10 Li 0.39611511104267 0.35329949549554 0.37327587641850 6.941 > 10 11 Li 0.60388488895733 0.85329949549554 0.12672412358150 6.941 > 11 12 Li 0.10388488895733 0.64670050450446 0.87327587641850 6.941 > 12 13 Li 0.10388488895733 0.85329949549554 0.37327587641850 6.941 > 13 14 Li 0.60388488895733 0.64670050450446 0.62672412358150 6.941 > 14 15 Li 0.39611511104267 0.14670050450446 0.87327587641850 6.941 > 15 16 Li 0.89611511104267 0.35329949549554 0.12672412358150 6.941 > 16 *17 Li 0.85936276652326 0.10653245929096 0.88877460961914 6.941 > 17 18 Li 0.35936276652326 0.39346754070904 0.11122539038086 6.941 > 18 19 Li 0.64063723347674 0.89346754070904 0.38877460961914 6.941 > 19 *20 Li 0.83585243251069 0.62011426176288 0.10725132824504 6.941 > 20 21 Li 0.14063723347674 0.89346754070904 0.11122539038086 6.941 > 21 22 Li 0.64063723347674 0.60653245929096 0.88877460961914 6.941 > 22 23 Li 0.35936276652326 0.10653245929096 0.61122539038086 6.941 > 23 24 Li 0.85936276652326 0.39346754070904 0.38877460961914 6.941 > 24 *25 Li 0.87286817483886 0.62072130765865 0.64617741141989 6.941 > 25 26 Li 0.37286817483885 0.87927869234135 0.35382258858011 6.941 > 26 27 Li 0.62713182516114 0.37927869234134 0.14617741141989 6.941 > 27 28 Li 0.12713182516114 0.12072130765866 0.85382258858011 6.941 > 28 29 Li 0.12713182516114 0.37927869234134 0.35382258858011 6.941 > 29 30 Li 0.62713182516114 0.12072130765866 0.64617741141989 6.941 > 30 31 Li 0.37286817483885 0.62072130765865 0.85382258858011 6.941 > 31 32 Li 0.87286817483886 0.87927869234135 0.14617741141989 6.941 > 32 33 Li 0.83585243251069 0.87988573823712 0.60725132824504 6.941 > 33 34 Li 0.33585243251069 0.62011426176288 0.39274867175496 6.941 > 34 35 Li 0.66414756748931 0.12011426176288 0.10725132824504 6.941 > 35 36 Li 0.16414756748931 0.37988573823712 0.89274867175496 6.941 > 36 37 Li 0.16414756748931 0.12011426176288 0.39274867175496 6.941 > 37 38 Li 0.66414756748931 0.37988573823712 0.60725132824504 6.941 > 38 39 Li 0.33585243251069 0.87988573823712 0.89274867175496 6.941 > 39 40 Li 0.14063723347674 0.60653245929096 0.61122539038086 6.941 > 40 *41 O 0.76132439932604 0.25434234524992 0.75076767295796 15.999 > 41 42 O 0.26132439932604 0.24565765475008 0.24923232704203 15.999 > 42 43 O 0.73867560067396 0.74565765475008 0.25076767295796 15.999 > 43 44 O 0.23867560067396 0.75434234524992 0.74923232704204 15.999 > 44 45 O 0.23867560067396 0.74565765475008 0.24923232704203 15.999 > 45 46 O 0.73867560067396 0.75434234524992 0.75076767295796 15.999 > 46 47 O 0.26132439932604 0.25434234524992 0.74923232704204 15.999 > 47 48 O 0.76132439932604 0.24565765475008 0.25076767295796 15.999 > 48 *49 O 0.75532248879411 0.46581306452238 0.99189863535042 15.999 > 49 50 O 0.25532248879411 0.03418693547762 0.00810136464958 15.999 > 50 51 O 0.74467751120589 0.53418693547762 0.49189863535042 15.999 > 51 52 O 0.24467751120589 0.96581306452238 0.50810136464958 15.999 > 52 53 O 0.24467751120589 0.53418693547762 0.00810136464958 15.999 > 53 54 O 0.74467751120589 0.96581306452238 0.99189863535042 15.999 > 54 55 O 0.25532248879411 0.46581306452238 0.50810136464958 15.999 > 55 56 O 0.75532248879411 0.03418693547762 0.49189863535042 15.999 > 56 *57 O 0.00090096791725 0.25558211052821 0.96719589001816 15.999 > 57 58 O 0.50090096791725 0.24441788947179 0.03280410998184 15.999 > 58 59 O 0.49909903208275 0.74441788947179 0.46719589001816 15.999 > 59 60 O 0.99909903208275 0.75558211052821 0.53280410998184 15.999 > 60 *61 O 0.01385269867915 0.00489737720130 0.24955930713995 15.999 > 61 62 O 0.49909903208275 0.75558211052821 0.96719589001816 15.999 > 62 63 O 0.50090096791725 0.25558211052821 0.53280410998184 15.999 > 63 64 O 0.00090096791725 0.24441788947179 0.46719589001816 15.999 > 64 65 O 0.01385269867915 0.49510262279870 0.74955930713995 15.999 > 65 66 O 0.51385269867915 0.00489737720130 0.25044069286005 15.999 > 66 67 O 0.48614730132085 0.50489737720130 0.24955930713995 15.999 > 67 68 O 0.98614730132085 0.99510262279870 0.75044069286005 15.999 > 68 69 O 0.98614730132085 0.50489737720130 0.25044069286005 15.999 > 69 70 O 0.48614730132085 0.99510262279870 0.74955930713995 15.999 > 70 71 O 0.51385269867915 0.49510262279870 0.75044069286005 15.999 > 71 72 O 0.99909903208275 0.74441788947179 0.03280410998184 15.999 > 72 *73 Ga 0.88279172584884 0.38254826845463 0.85448242188245 69.723 > 73 74 Ga 0.38279172584884 0.11745173154537 0.14551757811755 69.723 > 74 75 Ga 0.61720827415116 0.61745173154537 0.35448242188245 69.723 > 75 76 Ga 0.11720827415116 0.88254826845463 0.64551757811755 69.723 > 76 77 Ga 0.11720827415116 0.61745173154537 0.14551757811755 69.723 > 77 78 Ga 0.61720827415116 0.88254826845463 0.85448242188245 69.723 > 78 79 Ga 0.38279172584884 0.38254826845463 0.64551757811755 69.723 > 79 80 Ga 0.88279172584884 0.11745173154537 0.35448242188245 69.723 > 80 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.051693100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.144988640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.122748130000000 Atomic positions (fractional): *1 Li 0.89658890883155 0.84270580821689 0.88128620827421 6.941 > 1 2 Li 0.39658890883155 0.65729419178311 0.11871379172579 6.941 > 2 3 Li 0.60341109116845 0.15729419178311 0.38128620827421 6.941 > 3 4 Li 0.10341109116845 0.34270580821689 0.61871379172579 6.941 > 4 5 Li 0.10341109116845 0.15729419178311 0.11871379172579 6.941 > 5 6 Li 0.60341109116845 0.34270580821689 0.88128620827421 6.941 > 6 7 Li 0.39658890883155 0.84270580821689 0.61871379172579 6.941 > 7 8 Li 0.89658890883155 0.65729419178311 0.38128620827421 6.941 > 8 *9 Li 0.89611511104267 0.14670050450446 0.62672412358150 6.941 > 9 10 Li 0.39611511104267 0.35329949549554 0.37327587641850 6.941 > 10 11 Li 0.60388488895733 0.85329949549554 0.12672412358150 6.941 > 11 12 Li 0.10388488895733 0.64670050450446 0.87327587641850 6.941 > 12 13 Li 0.10388488895733 0.85329949549554 0.37327587641850 6.941 > 13 14 Li 0.60388488895733 0.64670050450446 0.62672412358150 6.941 > 14 15 Li 0.39611511104267 0.14670050450446 0.87327587641850 6.941 > 15 16 Li 0.89611511104267 0.35329949549554 0.12672412358150 6.941 > 16 *17 Li 0.85936276652326 0.10653245929096 0.88877460961914 6.941 > 17 18 Li 0.35936276652326 0.39346754070904 0.11122539038086 6.941 > 18 19 Li 0.64063723347674 0.89346754070904 0.38877460961914 6.941 > 19 *20 Li 0.83585243251069 0.62011426176288 0.10725132824504 6.941 > 20 21 Li 0.14063723347674 0.89346754070904 0.11122539038086 6.941 > 21 22 Li 0.64063723347674 0.60653245929096 0.88877460961914 6.941 > 22 23 Li 0.35936276652326 0.10653245929096 0.61122539038086 6.941 > 23 24 Li 0.85936276652326 0.39346754070904 0.38877460961914 6.941 > 24 *25 Li 0.87286817483886 0.62072130765865 0.64617741141989 6.941 > 25 26 Li 0.37286817483885 0.87927869234135 0.35382258858011 6.941 > 26 27 Li 0.62713182516114 0.37927869234134 0.14617741141989 6.941 > 27 28 Li 0.12713182516114 0.12072130765866 0.85382258858011 6.941 > 28 29 Li 0.12713182516114 0.37927869234134 0.35382258858011 6.941 > 29 30 Li 0.62713182516114 0.12072130765866 0.64617741141989 6.941 > 30 31 Li 0.37286817483885 0.62072130765865 0.85382258858011 6.941 > 31 32 Li 0.87286817483886 0.87927869234135 0.14617741141989 6.941 > 32 33 Li 0.83585243251069 0.87988573823712 0.60725132824504 6.941 > 33 34 Li 0.33585243251069 0.62011426176288 0.39274867175496 6.941 > 34 35 Li 0.66414756748931 0.12011426176288 0.10725132824504 6.941 > 35 36 Li 0.16414756748931 0.37988573823712 0.89274867175496 6.941 > 36 37 Li 0.16414756748931 0.12011426176288 0.39274867175496 6.941 > 37 38 Li 0.66414756748931 0.37988573823712 0.60725132824504 6.941 > 38 39 Li 0.33585243251069 0.87988573823712 0.89274867175496 6.941 > 39 40 Li 0.14063723347674 0.60653245929096 0.61122539038086 6.941 > 40 *41 O 0.76132439932604 0.25434234524992 0.75076767295796 15.999 > 41 42 O 0.26132439932604 0.24565765475008 0.24923232704203 15.999 > 42 43 O 0.73867560067396 0.74565765475008 0.25076767295796 15.999 > 43 44 O 0.23867560067396 0.75434234524992 0.74923232704204 15.999 > 44 45 O 0.23867560067396 0.74565765475008 0.24923232704203 15.999 > 45 46 O 0.73867560067396 0.75434234524992 0.75076767295796 15.999 > 46 47 O 0.26132439932604 0.25434234524992 0.74923232704204 15.999 > 47 48 O 0.76132439932604 0.24565765475008 0.25076767295796 15.999 > 48 *49 O 0.75532248879411 0.46581306452238 0.99189863535042 15.999 > 49 50 O 0.25532248879411 0.03418693547762 0.00810136464958 15.999 > 50 51 O 0.74467751120589 0.53418693547762 0.49189863535042 15.999 > 51 52 O 0.24467751120589 0.96581306452238 0.50810136464958 15.999 > 52 53 O 0.24467751120589 0.53418693547762 0.00810136464958 15.999 > 53 54 O 0.74467751120589 0.96581306452238 0.99189863535042 15.999 > 54 55 O 0.25532248879411 0.46581306452238 0.50810136464958 15.999 > 55 56 O 0.75532248879411 0.03418693547762 0.49189863535042 15.999 > 56 *57 O 0.00090096791725 0.25558211052821 0.96719589001816 15.999 > 57 58 O 0.50090096791725 0.24441788947179 0.03280410998184 15.999 > 58 59 O 0.49909903208275 0.74441788947179 0.46719589001816 15.999 > 59 60 O 0.99909903208275 0.75558211052821 0.53280410998184 15.999 > 60 *61 O 0.01385269867915 0.00489737720130 0.24955930713995 15.999 > 61 62 O 0.49909903208275 0.75558211052821 0.96719589001816 15.999 > 62 63 O 0.50090096791725 0.25558211052821 0.53280410998184 15.999 > 63 64 O 0.00090096791725 0.24441788947179 0.46719589001816 15.999 > 64 65 O 0.01385269867915 0.49510262279870 0.74955930713995 15.999 > 65 66 O 0.51385269867915 0.00489737720130 0.25044069286005 15.999 > 66 67 O 0.48614730132085 0.50489737720130 0.24955930713995 15.999 > 67 68 O 0.98614730132085 0.99510262279870 0.75044069286005 15.999 > 68 69 O 0.98614730132085 0.50489737720130 0.25044069286005 15.999 > 69 70 O 0.48614730132085 0.99510262279870 0.74955930713995 15.999 > 70 71 O 0.51385269867915 0.49510262279870 0.75044069286005 15.999 > 71 72 O 0.99909903208275 0.74441788947179 0.03280410998184 15.999 > 72 *73 Ga 0.88279172584884 0.38254826845463 0.85448242188245 69.723 > 73 74 Ga 0.38279172584884 0.11745173154537 0.14551757811755 69.723 > 74 75 Ga 0.61720827415116 0.61745173154537 0.35448242188245 69.723 > 75 76 Ga 0.11720827415116 0.88254826845463 0.64551757811755 69.723 > 76 77 Ga 0.11720827415116 0.61745173154537 0.14551757811755 69.723 > 77 78 Ga 0.61720827415116 0.88254826845463 0.85448242188245 69.723 > 78 79 Ga 0.38279172584884 0.38254826845463 0.64551757811755 69.723 > 79 80 Ga 0.88279172584884 0.11745173154537 0.35448242188245 69.723 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1083140 0.0000000 0.0000000 0.0000000 3.0481478 0.0000000 0.0000000 0.0000000 3.0587452 -------------------------- Born effective charges -------------------------- 1 Li 1.0723741 -0.0119950 -0.0029438 -0.0682429 0.8642666 -0.1023034 0.0256933 -0.1317608 1.0108339 2 Li 1.0723741 0.0119950 0.0029438 0.0682429 0.8642666 -0.1023034 -0.0256933 -0.1317608 1.0108339 3 Li 1.0723741 -0.0119950 0.0029438 -0.0682429 0.8642666 0.1023034 -0.0256933 0.1317608 1.0108339 4 Li 1.0723741 0.0119950 -0.0029438 0.0682429 0.8642666 0.1023034 0.0256933 0.1317608 1.0108339 5 Li 1.0723741 -0.0119950 -0.0029438 -0.0682429 0.8642666 -0.1023034 0.0256933 -0.1317608 1.0108339 6 Li 1.0723741 0.0119950 0.0029438 0.0682429 0.8642666 -0.1023034 -0.0256933 -0.1317608 1.0108339 7 Li 1.0723741 -0.0119950 0.0029438 -0.0682429 0.8642666 0.1023034 -0.0256933 0.1317608 1.0108339 8 Li 1.0723741 0.0119950 -0.0029438 0.0682429 0.8642666 0.1023034 0.0256933 0.1317608 1.0108339 9 Li 0.8272030 -0.0772741 0.0690452 -0.0954781 0.9052652 0.0105524 -0.0237870 0.0644073 1.0228570 10 Li 0.8272030 0.0772741 -0.0690452 0.0954781 0.9052652 0.0105524 0.0237870 0.0644073 1.0228570 11 Li 0.8272030 -0.0772741 -0.0690452 -0.0954781 0.9052652 -0.0105524 0.0237870 -0.0644073 1.0228570 12 Li 0.8272030 0.0772741 0.0690452 0.0954781 0.9052652 -0.0105524 -0.0237870 -0.0644073 1.0228570 13 Li 0.8272030 -0.0772741 0.0690452 -0.0954781 0.9052652 0.0105524 -0.0237870 0.0644073 1.0228570 14 Li 0.8272030 0.0772741 -0.0690452 0.0954781 0.9052652 0.0105524 0.0237870 0.0644073 1.0228570 15 Li 0.8272030 -0.0772741 -0.0690452 -0.0954781 0.9052652 -0.0105524 0.0237870 -0.0644073 1.0228570 16 Li 0.8272030 0.0772741 0.0690452 0.0954781 0.9052652 -0.0105524 -0.0237870 -0.0644073 1.0228570 17 Li 0.9462541 0.0248698 -0.1635935 0.0240962 1.1173077 0.0112899 -0.0855602 0.0554226 0.8970850 18 Li 0.9462541 -0.0248698 0.1635935 -0.0240962 1.1173077 0.0112899 0.0855602 0.0554226 0.8970850 19 Li 0.9462541 0.0248698 0.1635935 0.0240962 1.1173077 -0.0112899 0.0855602 -0.0554226 0.8970850 20 Li 0.9914741 -0.1040444 -0.0054818 0.0100862 0.9192895 0.0540580 0.0403284 0.1085119 0.9373529 21 Li 0.9462541 0.0248698 -0.1635935 0.0240962 1.1173077 0.0112899 -0.0855602 0.0554226 0.8970850 22 Li 0.9462541 -0.0248698 0.1635935 -0.0240962 1.1173077 0.0112899 0.0855602 0.0554226 0.8970850 23 Li 0.9462541 0.0248698 0.1635935 0.0240962 1.1173077 -0.0112899 0.0855602 -0.0554226 0.8970850 24 Li 0.9462541 -0.0248698 -0.1635935 -0.0240962 1.1173077 -0.0112899 -0.0855602 -0.0554226 0.8970850 25 Li 1.0247602 0.0349119 -0.0190940 -0.0673817 1.0071014 -0.0653952 0.0845554 0.0449326 0.9862720 26 Li 1.0247602 -0.0349119 0.0190940 0.0673817 1.0071014 -0.0653952 -0.0845554 0.0449326 0.9862720 27 Li 1.0247602 0.0349119 0.0190940 -0.0673817 1.0071014 0.0653952 -0.0845554 -0.0449326 0.9862720 28 Li 1.0247602 -0.0349119 -0.0190940 0.0673817 1.0071014 0.0653952 0.0845554 -0.0449326 0.9862720 29 Li 1.0247602 0.0349119 -0.0190940 -0.0673817 1.0071014 -0.0653952 0.0845554 0.0449326 0.9862720 30 Li 1.0247602 -0.0349119 0.0190940 0.0673817 1.0071014 -0.0653952 -0.0845554 0.0449326 0.9862720 31 Li 1.0247602 0.0349119 0.0190940 -0.0673817 1.0071014 0.0653952 -0.0845554 -0.0449326 0.9862720 32 Li 1.0247602 -0.0349119 -0.0190940 0.0673817 1.0071014 0.0653952 0.0845554 -0.0449326 0.9862720 33 Li 0.9914741 0.1040444 -0.0054818 -0.0100862 0.9192895 -0.0540580 0.0403284 -0.1085119 0.9373529 34 Li 0.9914741 -0.1040444 0.0054818 0.0100862 0.9192895 -0.0540580 -0.0403284 -0.1085119 0.9373529 35 Li 0.9914741 0.1040444 0.0054818 -0.0100862 0.9192895 0.0540580 -0.0403284 0.1085119 0.9373529 36 Li 0.9914741 -0.1040444 -0.0054818 0.0100862 0.9192895 0.0540580 0.0403284 0.1085119 0.9373529 37 Li 0.9914741 0.1040444 -0.0054818 -0.0100862 0.9192895 -0.0540580 0.0403284 -0.1085119 0.9373529 38 Li 0.9914741 -0.1040444 0.0054818 0.0100862 0.9192895 -0.0540580 -0.0403284 -0.1085119 0.9373529 39 Li 0.9914741 0.1040444 0.0054818 -0.0100862 0.9192895 0.0540580 -0.0403284 0.1085119 0.9373529 40 Li 0.9462541 -0.0248698 -0.1635935 -0.0240962 1.1173077 -0.0112899 -0.0855602 -0.0554226 0.8970850 41 O -1.8427062 -0.1107486 -0.2358568 -0.1667347 -1.8174730 -0.2103982 -0.2528315 -0.3251332 -1.7610293 42 O -1.8427062 0.1107486 0.2358568 0.1667347 -1.8174730 -0.2103982 0.2528315 -0.3251332 -1.7610293 43 O -1.8427062 -0.1107486 0.2358568 -0.1667347 -1.8174730 0.2103982 0.2528315 0.3251332 -1.7610293 44 O -1.8427062 0.1107486 -0.2358568 0.1667347 -1.8174730 0.2103982 -0.2528315 0.3251332 -1.7610293 45 O -1.8427062 -0.1107486 -0.2358568 -0.1667347 -1.8174730 -0.2103982 -0.2528315 -0.3251332 -1.7610293 46 O -1.8427062 0.1107486 0.2358568 0.1667347 -1.8174730 -0.2103982 0.2528315 -0.3251332 -1.7610293 47 O -1.8427062 -0.1107486 0.2358568 -0.1667347 -1.8174730 0.2103982 0.2528315 0.3251332 -1.7610293 48 O -1.8427062 0.1107486 -0.2358568 0.1667347 -1.8174730 0.2103982 -0.2528315 0.3251332 -1.7610293 49 O -1.8276337 0.1342805 0.1134460 0.1465128 -1.6813443 -0.2307957 0.1823320 -0.1244752 -1.8928676 50 O -1.8276337 -0.1342805 -0.1134460 -0.1465128 -1.6813443 -0.2307957 -0.1823320 -0.1244752 -1.8928676 51 O -1.8276337 0.1342805 -0.1134460 0.1465128 -1.6813443 0.2307957 -0.1823320 0.1244752 -1.8928676 52 O -1.8276337 -0.1342805 0.1134460 -0.1465128 -1.6813443 0.2307957 0.1823320 0.1244752 -1.8928676 53 O -1.8276337 0.1342805 0.1134460 0.1465128 -1.6813443 -0.2307957 0.1823320 -0.1244752 -1.8928676 54 O -1.8276337 -0.1342805 -0.1134460 -0.1465128 -1.6813443 -0.2307957 -0.1823320 -0.1244752 -1.8928676 55 O -1.8276337 0.1342805 -0.1134460 0.1465128 -1.6813443 0.2307957 -0.1823320 0.1244752 -1.8928676 56 O -1.8276337 -0.1342805 0.1134460 -0.1465128 -1.6813443 0.2307957 0.1823320 0.1244752 -1.8928676 57 O -1.8153147 0.3163615 -0.1950888 0.1982956 -1.7839216 0.1868970 -0.1979615 0.1930375 -1.8006228 58 O -1.8153147 -0.3163615 0.1950888 -0.1982956 -1.7839216 0.1868970 0.1979615 0.1930375 -1.8006228 59 O -1.8153147 0.3163615 0.1950888 0.1982956 -1.7839216 -0.1868970 0.1979615 -0.1930375 -1.8006228 60 O -1.8153147 -0.3163615 -0.1950888 -0.1982956 -1.7839216 -0.1868970 -0.1979615 -0.1930375 -1.8006228 61 O -1.8268910 0.1850446 0.1939160 0.2965798 -1.8434011 -0.2615515 0.2233805 -0.2089111 -1.7339810 62 O -1.8153147 -0.3163615 0.1950888 -0.1982956 -1.7839216 0.1868970 0.1979615 0.1930375 -1.8006228 63 O -1.8153147 0.3163615 0.1950888 0.1982956 -1.7839216 -0.1868970 0.1979615 -0.1930375 -1.8006228 64 O -1.8153147 -0.3163615 -0.1950888 -0.1982956 -1.7839216 -0.1868970 -0.1979615 -0.1930375 -1.8006228 65 O -1.8268910 -0.1850446 0.1939160 -0.2965798 -1.8434011 0.2615515 0.2233805 0.2089111 -1.7339810 66 O -1.8268910 0.1850446 -0.1939160 0.2965798 -1.8434011 0.2615515 -0.2233805 0.2089111 -1.7339810 67 O -1.8268910 -0.1850446 -0.1939160 -0.2965798 -1.8434011 -0.2615515 -0.2233805 -0.2089111 -1.7339810 68 O -1.8268910 0.1850446 0.1939160 0.2965798 -1.8434011 -0.2615515 0.2233805 -0.2089111 -1.7339810 69 O -1.8268910 -0.1850446 0.1939160 -0.2965798 -1.8434011 0.2615515 0.2233805 0.2089111 -1.7339810 70 O -1.8268910 0.1850446 -0.1939160 0.2965798 -1.8434011 0.2615515 -0.2233805 0.2089111 -1.7339810 71 O -1.8268910 -0.1850446 -0.1939160 -0.2965798 -1.8434011 -0.2615515 -0.2233805 -0.2089111 -1.7339810 72 O -1.8153147 0.3163615 -0.1950888 0.1982956 -1.7839216 0.1868970 -0.1979615 0.1930375 -1.8006228 73 Ga 2.4504800 0.0343185 0.0065082 0.1292091 2.3129096 0.0123242 -0.0319667 0.0630363 2.3340999 74 Ga 2.4504800 -0.0343185 -0.0065082 -0.1292091 2.3129096 0.0123242 0.0319667 0.0630363 2.3340999 75 Ga 2.4504800 0.0343185 -0.0065082 0.1292091 2.3129096 -0.0123242 0.0319667 -0.0630363 2.3340999 76 Ga 2.4504800 -0.0343185 0.0065082 -0.1292091 2.3129096 -0.0123242 -0.0319667 -0.0630363 2.3340999 77 Ga 2.4504800 0.0343185 0.0065082 0.1292091 2.3129096 0.0123242 -0.0319667 0.0630363 2.3340999 78 Ga 2.4504800 -0.0343185 -0.0065082 -0.1292091 2.3129096 0.0123242 0.0319667 0.0630363 2.3340999 79 Ga 2.4504800 0.0343185 -0.0065082 0.1292091 2.3129096 -0.0123242 0.0319667 -0.0630363 2.3340999 80 Ga 2.4504800 -0.0343185 0.0065082 -0.1292091 2.3129096 -0.0123242 -0.0319667 -0.0630363 2.3340999 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.731 Solver_block: 200 / 1200 - Time: 0.610 Solver_block: 300 / 1200 - Time: 0.619 Solver_block: 400 / 1200 - Time: 0.608 Solver_block: 500 / 1200 - Time: 0.609 Solver_block: 600 / 1200 - Time: 0.613 Solver_block: 700 / 1200 - Time: 0.612 Solver_block: 800 / 1200 - Time: 0.606 Solver_block: 900 / 1200 - Time: 0.608 Solver_block: 1000 / 1200 - Time: 0.616 Solver_block: 1100 / 1200 - Time: 0.612 Solver_block: 1200 / 1200 - Time: 0.610 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.629 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3720 Number of blocks in projector: 3720 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) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 19), data: (500, 39) @ (39, 19) |-- (250, 231), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:22:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:22:35]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.051693100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.144988640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.122748130000000 Atomic positions (fractional): 1 Li 0.89658890883155 0.84270580821689 0.88128620827421 6.941 2 Li 0.39658890883155 0.65729419178311 0.11871379172579 6.941 3 Li 0.60341109116845 0.15729419178311 0.38128620827421 6.941 4 Li 0.10341109116845 0.34270580821689 0.61871379172579 6.941 5 Li 0.10341109116845 0.15729419178311 0.11871379172579 6.941 6 Li 0.60341109116845 0.34270580821689 0.88128620827421 6.941 7 Li 0.39658890883155 0.84270580821689 0.61871379172579 6.941 8 Li 0.89658890883155 0.65729419178311 0.38128620827421 6.941 9 Li 0.89611511104267 0.14670050450446 0.62672412358150 6.941 10 Li 0.39611511104267 0.35329949549554 0.37327587641850 6.941 11 Li 0.60388488895733 0.85329949549554 0.12672412358150 6.941 12 Li 0.10388488895733 0.64670050450446 0.87327587641850 6.941 13 Li 0.10388488895733 0.85329949549554 0.37327587641850 6.941 14 Li 0.60388488895733 0.64670050450446 0.62672412358150 6.941 15 Li 0.39611511104267 0.14670050450446 0.87327587641850 6.941 16 Li 0.89611511104267 0.35329949549554 0.12672412358150 6.941 17 Li 0.85936276652326 0.10653245929096 0.88877460961914 6.941 18 Li 0.35936276652326 0.39346754070904 0.11122539038086 6.941 19 Li 0.64063723347674 0.89346754070904 0.38877460961914 6.941 20 Li 0.83585243251069 0.62011426176288 0.10725132824504 6.941 21 Li 0.14063723347674 0.89346754070904 0.11122539038086 6.941 22 Li 0.64063723347674 0.60653245929096 0.88877460961914 6.941 23 Li 0.35936276652326 0.10653245929096 0.61122539038086 6.941 24 Li 0.85936276652326 0.39346754070904 0.38877460961914 6.941 25 Li 0.87286817483886 0.62072130765865 0.64617741141989 6.941 26 Li 0.37286817483885 0.87927869234135 0.35382258858011 6.941 27 Li 0.62713182516114 0.37927869234134 0.14617741141989 6.941 28 Li 0.12713182516114 0.12072130765866 0.85382258858011 6.941 29 Li 0.12713182516114 0.37927869234134 0.35382258858011 6.941 30 Li 0.62713182516114 0.12072130765866 0.64617741141989 6.941 31 Li 0.37286817483885 0.62072130765865 0.85382258858011 6.941 32 Li 0.87286817483886 0.87927869234135 0.14617741141989 6.941 33 Li 0.83585243251069 0.87988573823712 0.60725132824504 6.941 34 Li 0.33585243251069 0.62011426176288 0.39274867175496 6.941 35 Li 0.66414756748931 0.12011426176288 0.10725132824504 6.941 36 Li 0.16414756748931 0.37988573823712 0.89274867175496 6.941 37 Li 0.16414756748931 0.12011426176288 0.39274867175496 6.941 38 Li 0.66414756748931 0.37988573823712 0.60725132824504 6.941 39 Li 0.33585243251069 0.87988573823712 0.89274867175496 6.941 40 Li 0.14063723347674 0.60653245929096 0.61122539038086 6.941 41 O 0.76132439932604 0.25434234524992 0.75076767295796 15.999 42 O 0.26132439932604 0.24565765475008 0.24923232704203 15.999 43 O 0.73867560067396 0.74565765475008 0.25076767295796 15.999 44 O 0.23867560067396 0.75434234524992 0.74923232704204 15.999 45 O 0.23867560067396 0.74565765475008 0.24923232704203 15.999 46 O 0.73867560067396 0.75434234524992 0.75076767295796 15.999 47 O 0.26132439932604 0.25434234524992 0.74923232704204 15.999 48 O 0.76132439932604 0.24565765475008 0.25076767295796 15.999 49 O 0.75532248879411 0.46581306452238 0.99189863535042 15.999 50 O 0.25532248879411 0.03418693547762 0.00810136464958 15.999 51 O 0.74467751120589 0.53418693547762 0.49189863535042 15.999 52 O 0.24467751120589 0.96581306452238 0.50810136464958 15.999 53 O 0.24467751120589 0.53418693547762 0.00810136464958 15.999 54 O 0.74467751120589 0.96581306452238 0.99189863535042 15.999 55 O 0.25532248879411 0.46581306452238 0.50810136464958 15.999 56 O 0.75532248879411 0.03418693547762 0.49189863535042 15.999 57 O 0.00090096791725 0.25558211052821 0.96719589001816 15.999 58 O 0.50090096791725 0.24441788947179 0.03280410998184 15.999 59 O 0.49909903208275 0.74441788947179 0.46719589001816 15.999 60 O 0.99909903208275 0.75558211052821 0.53280410998184 15.999 61 O 0.01385269867915 0.00489737720130 0.24955930713995 15.999 62 O 0.49909903208275 0.75558211052821 0.96719589001816 15.999 63 O 0.50090096791725 0.25558211052821 0.53280410998184 15.999 64 O 0.00090096791725 0.24441788947179 0.46719589001816 15.999 65 O 0.01385269867915 0.49510262279870 0.74955930713995 15.999 66 O 0.51385269867915 0.00489737720130 0.25044069286005 15.999 67 O 0.48614730132085 0.50489737720130 0.24955930713995 15.999 68 O 0.98614730132085 0.99510262279870 0.75044069286005 15.999 69 O 0.98614730132085 0.50489737720130 0.25044069286005 15.999 70 O 0.48614730132085 0.99510262279870 0.74955930713995 15.999 71 O 0.51385269867915 0.49510262279870 0.75044069286005 15.999 72 O 0.99909903208275 0.74441788947179 0.03280410998184 15.999 73 Ga 0.88279172584884 0.38254826845463 0.85448242188245 69.723 74 Ga 0.38279172584884 0.11745173154537 0.14551757811755 69.723 75 Ga 0.61720827415116 0.61745173154537 0.35448242188245 69.723 76 Ga 0.11720827415116 0.88254826845463 0.64551757811755 69.723 77 Ga 0.11720827415116 0.61745173154537 0.14551757811755 69.723 78 Ga 0.61720827415116 0.88254826845463 0.85448242188245 69.723 79 Ga 0.38279172584884 0.38254826845463 0.64551757811755 69.723 80 Ga 0.88279172584884 0.11745173154537 0.35448242188245 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.051693100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.144988640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.122748130000000 Atomic positions (fractional): 1 Li 0.89658890883155 0.84270580821689 0.88128620827421 6.941 > 1 2 Li 0.39658890883155 0.65729419178311 0.11871379172579 6.941 > 2 3 Li 0.60341109116845 0.15729419178311 0.38128620827421 6.941 > 3 4 Li 0.10341109116845 0.34270580821689 0.61871379172579 6.941 > 4 5 Li 0.10341109116845 0.15729419178311 0.11871379172579 6.941 > 5 6 Li 0.60341109116845 0.34270580821689 0.88128620827421 6.941 > 6 7 Li 0.39658890883155 0.84270580821689 0.61871379172579 6.941 > 7 8 Li 0.89658890883155 0.65729419178311 0.38128620827421 6.941 > 8 9 Li 0.89611511104267 0.14670050450446 0.62672412358150 6.941 > 9 10 Li 0.39611511104267 0.35329949549554 0.37327587641850 6.941 > 10 11 Li 0.60388488895733 0.85329949549554 0.12672412358150 6.941 > 11 12 Li 0.10388488895733 0.64670050450446 0.87327587641850 6.941 > 12 13 Li 0.10388488895733 0.85329949549554 0.37327587641850 6.941 > 13 14 Li 0.60388488895733 0.64670050450446 0.62672412358150 6.941 > 14 15 Li 0.39611511104267 0.14670050450446 0.87327587641850 6.941 > 15 16 Li 0.89611511104267 0.35329949549554 0.12672412358150 6.941 > 16 17 Li 0.85936276652326 0.10653245929096 0.88877460961914 6.941 > 17 18 Li 0.35936276652326 0.39346754070904 0.11122539038086 6.941 > 18 19 Li 0.64063723347674 0.89346754070904 0.38877460961914 6.941 > 19 20 Li 0.83585243251069 0.62011426176288 0.10725132824504 6.941 > 20 21 Li 0.14063723347674 0.89346754070904 0.11122539038086 6.941 > 21 22 Li 0.64063723347674 0.60653245929096 0.88877460961914 6.941 > 22 23 Li 0.35936276652326 0.10653245929096 0.61122539038086 6.941 > 23 24 Li 0.85936276652326 0.39346754070904 0.38877460961914 6.941 > 24 25 Li 0.87286817483886 0.62072130765865 0.64617741141989 6.941 > 25 26 Li 0.37286817483885 0.87927869234135 0.35382258858011 6.941 > 26 27 Li 0.62713182516114 0.37927869234134 0.14617741141989 6.941 > 27 28 Li 0.12713182516114 0.12072130765866 0.85382258858011 6.941 > 28 29 Li 0.12713182516114 0.37927869234134 0.35382258858011 6.941 > 29 30 Li 0.62713182516114 0.12072130765866 0.64617741141989 6.941 > 30 31 Li 0.37286817483885 0.62072130765865 0.85382258858011 6.941 > 31 32 Li 0.87286817483886 0.87927869234135 0.14617741141989 6.941 > 32 33 Li 0.83585243251069 0.87988573823712 0.60725132824504 6.941 > 33 34 Li 0.33585243251069 0.62011426176288 0.39274867175496 6.941 > 34 35 Li 0.66414756748931 0.12011426176288 0.10725132824504 6.941 > 35 36 Li 0.16414756748931 0.37988573823712 0.89274867175496 6.941 > 36 37 Li 0.16414756748931 0.12011426176288 0.39274867175496 6.941 > 37 38 Li 0.66414756748931 0.37988573823712 0.60725132824504 6.941 > 38 39 Li 0.33585243251069 0.87988573823712 0.89274867175496 6.941 > 39 40 Li 0.14063723347674 0.60653245929096 0.61122539038086 6.941 > 40 41 O 0.76132439932604 0.25434234524992 0.75076767295796 15.999 > 41 42 O 0.26132439932604 0.24565765475008 0.24923232704203 15.999 > 42 43 O 0.73867560067396 0.74565765475008 0.25076767295796 15.999 > 43 44 O 0.23867560067396 0.75434234524992 0.74923232704204 15.999 > 44 45 O 0.23867560067396 0.74565765475008 0.24923232704203 15.999 > 45 46 O 0.73867560067396 0.75434234524992 0.75076767295796 15.999 > 46 47 O 0.26132439932604 0.25434234524992 0.74923232704204 15.999 > 47 48 O 0.76132439932604 0.24565765475008 0.25076767295796 15.999 > 48 49 O 0.75532248879411 0.46581306452238 0.99189863535042 15.999 > 49 50 O 0.25532248879411 0.03418693547762 0.00810136464958 15.999 > 50 51 O 0.74467751120589 0.53418693547762 0.49189863535042 15.999 > 51 52 O 0.24467751120589 0.96581306452238 0.50810136464958 15.999 > 52 53 O 0.24467751120589 0.53418693547762 0.00810136464958 15.999 > 53 54 O 0.74467751120589 0.96581306452238 0.99189863535042 15.999 > 54 55 O 0.25532248879411 0.46581306452238 0.50810136464958 15.999 > 55 56 O 0.75532248879411 0.03418693547762 0.49189863535042 15.999 > 56 57 O 0.00090096791725 0.25558211052821 0.96719589001816 15.999 > 57 58 O 0.50090096791725 0.24441788947179 0.03280410998184 15.999 > 58 59 O 0.49909903208275 0.74441788947179 0.46719589001816 15.999 > 59 60 O 0.99909903208275 0.75558211052821 0.53280410998184 15.999 > 60 61 O 0.01385269867915 0.00489737720130 0.24955930713995 15.999 > 61 62 O 0.49909903208275 0.75558211052821 0.96719589001816 15.999 > 62 63 O 0.50090096791725 0.25558211052821 0.53280410998184 15.999 > 63 64 O 0.00090096791725 0.24441788947179 0.46719589001816 15.999 > 64 65 O 0.01385269867915 0.49510262279870 0.74955930713995 15.999 > 65 66 O 0.51385269867915 0.00489737720130 0.25044069286005 15.999 > 66 67 O 0.48614730132085 0.50489737720130 0.24955930713995 15.999 > 67 68 O 0.98614730132085 0.99510262279870 0.75044069286005 15.999 > 68 69 O 0.98614730132085 0.50489737720130 0.25044069286005 15.999 > 69 70 O 0.48614730132085 0.99510262279870 0.74955930713995 15.999 > 70 71 O 0.51385269867915 0.49510262279870 0.75044069286005 15.999 > 71 72 O 0.99909903208275 0.74441788947179 0.03280410998184 15.999 > 72 73 Ga 0.88279172584884 0.38254826845463 0.85448242188245 69.723 > 73 74 Ga 0.38279172584884 0.11745173154537 0.14551757811755 69.723 > 74 75 Ga 0.61720827415116 0.61745173154537 0.35448242188245 69.723 > 75 76 Ga 0.11720827415116 0.88254826845463 0.64551757811755 69.723 > 76 77 Ga 0.11720827415116 0.61745173154537 0.14551757811755 69.723 > 77 78 Ga 0.61720827415116 0.88254826845463 0.85448242188245 69.723 > 78 79 Ga 0.38279172584884 0.38254826845463 0.64551757811755 69.723 > 79 80 Ga 0.88279172584884 0.11745173154537 0.35448242188245 69.723 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1083140 0.0000000 0.0000000 0.0000000 3.0481478 0.0000000 0.0000000 0.0000000 3.0587452 -------------------------- Born effective charges -------------------------- 1 Li 1.0723741 -0.0119950 -0.0029438 -0.0682429 0.8642666 -0.1023034 0.0256933 -0.1317608 1.0108339 2 Li 1.0723741 0.0119950 0.0029438 0.0682429 0.8642666 -0.1023034 -0.0256933 -0.1317608 1.0108339 3 Li 1.0723741 -0.0119950 0.0029438 -0.0682429 0.8642666 0.1023034 -0.0256933 0.1317608 1.0108339 4 Li 1.0723741 0.0119950 -0.0029438 0.0682429 0.8642666 0.1023034 0.0256933 0.1317608 1.0108339 5 Li 1.0723741 -0.0119950 -0.0029438 -0.0682429 0.8642666 -0.1023034 0.0256933 -0.1317608 1.0108339 6 Li 1.0723741 0.0119950 0.0029438 0.0682429 0.8642666 -0.1023034 -0.0256933 -0.1317608 1.0108339 7 Li 1.0723741 -0.0119950 0.0029438 -0.0682429 0.8642666 0.1023034 -0.0256933 0.1317608 1.0108339 8 Li 1.0723741 0.0119950 -0.0029438 0.0682429 0.8642666 0.1023034 0.0256933 0.1317608 1.0108339 9 Li 0.8272030 -0.0772741 0.0690452 -0.0954781 0.9052652 0.0105524 -0.0237870 0.0644073 1.0228570 10 Li 0.8272030 0.0772741 -0.0690452 0.0954781 0.9052652 0.0105524 0.0237870 0.0644073 1.0228570 11 Li 0.8272030 -0.0772741 -0.0690452 -0.0954781 0.9052652 -0.0105524 0.0237870 -0.0644073 1.0228570 12 Li 0.8272030 0.0772741 0.0690452 0.0954781 0.9052652 -0.0105524 -0.0237870 -0.0644073 1.0228570 13 Li 0.8272030 -0.0772741 0.0690452 -0.0954781 0.9052652 0.0105524 -0.0237870 0.0644073 1.0228570 14 Li 0.8272030 0.0772741 -0.0690452 0.0954781 0.9052652 0.0105524 0.0237870 0.0644073 1.0228570 15 Li 0.8272030 -0.0772741 -0.0690452 -0.0954781 0.9052652 -0.0105524 0.0237870 -0.0644073 1.0228570 16 Li 0.8272030 0.0772741 0.0690452 0.0954781 0.9052652 -0.0105524 -0.0237870 -0.0644073 1.0228570 17 Li 0.9462541 0.0248698 -0.1635935 0.0240962 1.1173077 0.0112899 -0.0855602 0.0554226 0.8970850 18 Li 0.9462541 -0.0248698 0.1635935 -0.0240962 1.1173077 0.0112899 0.0855602 0.0554226 0.8970850 19 Li 0.9462541 0.0248698 0.1635935 0.0240962 1.1173077 -0.0112899 0.0855602 -0.0554226 0.8970850 20 Li 0.9914741 -0.1040444 -0.0054818 0.0100862 0.9192895 0.0540580 0.0403284 0.1085119 0.9373529 21 Li 0.9462541 0.0248698 -0.1635935 0.0240962 1.1173077 0.0112899 -0.0855602 0.0554226 0.8970850 22 Li 0.9462541 -0.0248698 0.1635935 -0.0240962 1.1173077 0.0112899 0.0855602 0.0554226 0.8970850 23 Li 0.9462541 0.0248698 0.1635935 0.0240962 1.1173077 -0.0112899 0.0855602 -0.0554226 0.8970850 24 Li 0.9462541 -0.0248698 -0.1635935 -0.0240962 1.1173077 -0.0112899 -0.0855602 -0.0554226 0.8970850 25 Li 1.0247602 0.0349119 -0.0190940 -0.0673817 1.0071014 -0.0653952 0.0845554 0.0449326 0.9862720 26 Li 1.0247602 -0.0349119 0.0190940 0.0673817 1.0071014 -0.0653952 -0.0845554 0.0449326 0.9862720 27 Li 1.0247602 0.0349119 0.0190940 -0.0673817 1.0071014 0.0653952 -0.0845554 -0.0449326 0.9862720 28 Li 1.0247602 -0.0349119 -0.0190940 0.0673817 1.0071014 0.0653952 0.0845554 -0.0449326 0.9862720 29 Li 1.0247602 0.0349119 -0.0190940 -0.0673817 1.0071014 -0.0653952 0.0845554 0.0449326 0.9862720 30 Li 1.0247602 -0.0349119 0.0190940 0.0673817 1.0071014 -0.0653952 -0.0845554 0.0449326 0.9862720 31 Li 1.0247602 0.0349119 0.0190940 -0.0673817 1.0071014 0.0653952 -0.0845554 -0.0449326 0.9862720 32 Li 1.0247602 -0.0349119 -0.0190940 0.0673817 1.0071014 0.0653952 0.0845554 -0.0449326 0.9862720 33 Li 0.9914741 0.1040444 -0.0054818 -0.0100862 0.9192895 -0.0540580 0.0403284 -0.1085119 0.9373529 34 Li 0.9914741 -0.1040444 0.0054818 0.0100862 0.9192895 -0.0540580 -0.0403284 -0.1085119 0.9373529 35 Li 0.9914741 0.1040444 0.0054818 -0.0100862 0.9192895 0.0540580 -0.0403284 0.1085119 0.9373529 36 Li 0.9914741 -0.1040444 -0.0054818 0.0100862 0.9192895 0.0540580 0.0403284 0.1085119 0.9373529 37 Li 0.9914741 0.1040444 -0.0054818 -0.0100862 0.9192895 -0.0540580 0.0403284 -0.1085119 0.9373529 38 Li 0.9914741 -0.1040444 0.0054818 0.0100862 0.9192895 -0.0540580 -0.0403284 -0.1085119 0.9373529 39 Li 0.9914741 0.1040444 0.0054818 -0.0100862 0.9192895 0.0540580 -0.0403284 0.1085119 0.9373529 40 Li 0.9462541 -0.0248698 -0.1635935 -0.0240962 1.1173077 -0.0112899 -0.0855602 -0.0554226 0.8970850 41 O -1.8427062 -0.1107486 -0.2358568 -0.1667347 -1.8174730 -0.2103982 -0.2528315 -0.3251332 -1.7610293 42 O -1.8427062 0.1107486 0.2358568 0.1667347 -1.8174730 -0.2103982 0.2528315 -0.3251332 -1.7610293 43 O -1.8427062 -0.1107486 0.2358568 -0.1667347 -1.8174730 0.2103982 0.2528315 0.3251332 -1.7610293 44 O -1.8427062 0.1107486 -0.2358568 0.1667347 -1.8174730 0.2103982 -0.2528315 0.3251332 -1.7610293 45 O -1.8427062 -0.1107486 -0.2358568 -0.1667347 -1.8174730 -0.2103982 -0.2528315 -0.3251332 -1.7610293 46 O -1.8427062 0.1107486 0.2358568 0.1667347 -1.8174730 -0.2103982 0.2528315 -0.3251332 -1.7610293 47 O -1.8427062 -0.1107486 0.2358568 -0.1667347 -1.8174730 0.2103982 0.2528315 0.3251332 -1.7610293 48 O -1.8427062 0.1107486 -0.2358568 0.1667347 -1.8174730 0.2103982 -0.2528315 0.3251332 -1.7610293 49 O -1.8276337 0.1342805 0.1134460 0.1465128 -1.6813443 -0.2307957 0.1823320 -0.1244752 -1.8928676 50 O -1.8276337 -0.1342805 -0.1134460 -0.1465128 -1.6813443 -0.2307957 -0.1823320 -0.1244752 -1.8928676 51 O -1.8276337 0.1342805 -0.1134460 0.1465128 -1.6813443 0.2307957 -0.1823320 0.1244752 -1.8928676 52 O -1.8276337 -0.1342805 0.1134460 -0.1465128 -1.6813443 0.2307957 0.1823320 0.1244752 -1.8928676 53 O -1.8276337 0.1342805 0.1134460 0.1465128 -1.6813443 -0.2307957 0.1823320 -0.1244752 -1.8928676 54 O -1.8276337 -0.1342805 -0.1134460 -0.1465128 -1.6813443 -0.2307957 -0.1823320 -0.1244752 -1.8928676 55 O -1.8276337 0.1342805 -0.1134460 0.1465128 -1.6813443 0.2307957 -0.1823320 0.1244752 -1.8928676 56 O -1.8276337 -0.1342805 0.1134460 -0.1465128 -1.6813443 0.2307957 0.1823320 0.1244752 -1.8928676 57 O -1.8153147 0.3163615 -0.1950888 0.1982956 -1.7839216 0.1868970 -0.1979615 0.1930375 -1.8006228 58 O -1.8153147 -0.3163615 0.1950888 -0.1982956 -1.7839216 0.1868970 0.1979615 0.1930375 -1.8006228 59 O -1.8153147 0.3163615 0.1950888 0.1982956 -1.7839216 -0.1868970 0.1979615 -0.1930375 -1.8006228 60 O -1.8153147 -0.3163615 -0.1950888 -0.1982956 -1.7839216 -0.1868970 -0.1979615 -0.1930375 -1.8006228 61 O -1.8268910 0.1850446 0.1939160 0.2965798 -1.8434011 -0.2615515 0.2233805 -0.2089111 -1.7339810 62 O -1.8153147 -0.3163615 0.1950888 -0.1982956 -1.7839216 0.1868970 0.1979615 0.1930375 -1.8006228 63 O -1.8153147 0.3163615 0.1950888 0.1982956 -1.7839216 -0.1868970 0.1979615 -0.1930375 -1.8006228 64 O -1.8153147 -0.3163615 -0.1950888 -0.1982956 -1.7839216 -0.1868970 -0.1979615 -0.1930375 -1.8006228 65 O -1.8268910 -0.1850446 0.1939160 -0.2965798 -1.8434011 0.2615515 0.2233805 0.2089111 -1.7339810 66 O -1.8268910 0.1850446 -0.1939160 0.2965798 -1.8434011 0.2615515 -0.2233805 0.2089111 -1.7339810 67 O -1.8268910 -0.1850446 -0.1939160 -0.2965798 -1.8434011 -0.2615515 -0.2233805 -0.2089111 -1.7339810 68 O -1.8268910 0.1850446 0.1939160 0.2965798 -1.8434011 -0.2615515 0.2233805 -0.2089111 -1.7339810 69 O -1.8268910 -0.1850446 0.1939160 -0.2965798 -1.8434011 0.2615515 0.2233805 0.2089111 -1.7339810 70 O -1.8268910 0.1850446 -0.1939160 0.2965798 -1.8434011 0.2615515 -0.2233805 0.2089111 -1.7339810 71 O -1.8268910 -0.1850446 -0.1939160 -0.2965798 -1.8434011 -0.2615515 -0.2233805 -0.2089111 -1.7339810 72 O -1.8153147 0.3163615 -0.1950888 0.1982956 -1.7839216 0.1868970 -0.1979615 0.1930375 -1.8006228 73 Ga 2.4504800 0.0343185 0.0065082 0.1292091 2.3129096 0.0123242 -0.0319667 0.0630363 2.3340999 74 Ga 2.4504800 -0.0343185 -0.0065082 -0.1292091 2.3129096 0.0123242 0.0319667 0.0630363 2.3340999 75 Ga 2.4504800 0.0343185 -0.0065082 0.1292091 2.3129096 -0.0123242 0.0319667 -0.0630363 2.3340999 76 Ga 2.4504800 -0.0343185 0.0065082 -0.1292091 2.3129096 -0.0123242 -0.0319667 -0.0630363 2.3340999 77 Ga 2.4504800 0.0343185 0.0065082 0.1292091 2.3129096 0.0123242 -0.0319667 0.0630363 2.3340999 78 Ga 2.4504800 -0.0343185 -0.0065082 -0.1292091 2.3129096 0.0123242 0.0319667 0.0630363 2.3340999 79 Ga 2.4504800 0.0343185 -0.0065082 0.1292091 2.3129096 -0.0123242 0.0319667 -0.0630363 2.3340999 80 Ga 2.4504800 -0.0343185 0.0065082 -0.1292091 2.3129096 -0.0123242 -0.0319667 -0.0630363 2.3340999 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 20, 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[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zxy) -0.00000000 (xzy) -0.00000000 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) 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 20:23:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:23:07]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.051693100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.144988640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.122748130000000 Atomic positions (fractional): 1 Li 0.89658890883155 0.84270580821689 0.88128620827421 6.941 2 Li 0.39658890883155 0.65729419178311 0.11871379172579 6.941 3 Li 0.60341109116845 0.15729419178311 0.38128620827421 6.941 4 Li 0.10341109116845 0.34270580821689 0.61871379172579 6.941 5 Li 0.10341109116845 0.15729419178311 0.11871379172579 6.941 6 Li 0.60341109116845 0.34270580821689 0.88128620827421 6.941 7 Li 0.39658890883155 0.84270580821689 0.61871379172579 6.941 8 Li 0.89658890883155 0.65729419178311 0.38128620827421 6.941 9 Li 0.89611511104267 0.14670050450446 0.62672412358150 6.941 10 Li 0.39611511104267 0.35329949549554 0.37327587641850 6.941 11 Li 0.60388488895733 0.85329949549554 0.12672412358150 6.941 12 Li 0.10388488895733 0.64670050450446 0.87327587641850 6.941 13 Li 0.10388488895733 0.85329949549554 0.37327587641850 6.941 14 Li 0.60388488895733 0.64670050450446 0.62672412358150 6.941 15 Li 0.39611511104267 0.14670050450446 0.87327587641850 6.941 16 Li 0.89611511104267 0.35329949549554 0.12672412358150 6.941 17 Li 0.85936276652326 0.10653245929096 0.88877460961914 6.941 18 Li 0.35936276652326 0.39346754070904 0.11122539038086 6.941 19 Li 0.64063723347674 0.89346754070904 0.38877460961914 6.941 20 Li 0.83585243251069 0.62011426176288 0.10725132824504 6.941 21 Li 0.14063723347674 0.89346754070904 0.11122539038086 6.941 22 Li 0.64063723347674 0.60653245929096 0.88877460961914 6.941 23 Li 0.35936276652326 0.10653245929096 0.61122539038086 6.941 24 Li 0.85936276652326 0.39346754070904 0.38877460961914 6.941 25 Li 0.87286817483886 0.62072130765865 0.64617741141989 6.941 26 Li 0.37286817483885 0.87927869234135 0.35382258858011 6.941 27 Li 0.62713182516114 0.37927869234134 0.14617741141989 6.941 28 Li 0.12713182516114 0.12072130765866 0.85382258858011 6.941 29 Li 0.12713182516114 0.37927869234134 0.35382258858011 6.941 30 Li 0.62713182516114 0.12072130765866 0.64617741141989 6.941 31 Li 0.37286817483885 0.62072130765865 0.85382258858011 6.941 32 Li 0.87286817483886 0.87927869234135 0.14617741141989 6.941 33 Li 0.83585243251069 0.87988573823712 0.60725132824504 6.941 34 Li 0.33585243251069 0.62011426176288 0.39274867175496 6.941 35 Li 0.66414756748931 0.12011426176288 0.10725132824504 6.941 36 Li 0.16414756748931 0.37988573823712 0.89274867175496 6.941 37 Li 0.16414756748931 0.12011426176288 0.39274867175496 6.941 38 Li 0.66414756748931 0.37988573823712 0.60725132824504 6.941 39 Li 0.33585243251069 0.87988573823712 0.89274867175496 6.941 40 Li 0.14063723347674 0.60653245929096 0.61122539038086 6.941 41 O 0.76132439932604 0.25434234524992 0.75076767295796 15.999 42 O 0.26132439932604 0.24565765475008 0.24923232704203 15.999 43 O 0.73867560067396 0.74565765475008 0.25076767295796 15.999 44 O 0.23867560067396 0.75434234524992 0.74923232704204 15.999 45 O 0.23867560067396 0.74565765475008 0.24923232704203 15.999 46 O 0.73867560067396 0.75434234524992 0.75076767295796 15.999 47 O 0.26132439932604 0.25434234524992 0.74923232704204 15.999 48 O 0.76132439932604 0.24565765475008 0.25076767295796 15.999 49 O 0.75532248879411 0.46581306452238 0.99189863535042 15.999 50 O 0.25532248879411 0.03418693547762 0.00810136464958 15.999 51 O 0.74467751120589 0.53418693547762 0.49189863535042 15.999 52 O 0.24467751120589 0.96581306452238 0.50810136464958 15.999 53 O 0.24467751120589 0.53418693547762 0.00810136464958 15.999 54 O 0.74467751120589 0.96581306452238 0.99189863535042 15.999 55 O 0.25532248879411 0.46581306452238 0.50810136464958 15.999 56 O 0.75532248879411 0.03418693547762 0.49189863535042 15.999 57 O 0.00090096791725 0.25558211052821 0.96719589001816 15.999 58 O 0.50090096791725 0.24441788947179 0.03280410998184 15.999 59 O 0.49909903208275 0.74441788947179 0.46719589001816 15.999 60 O 0.99909903208275 0.75558211052821 0.53280410998184 15.999 61 O 0.01385269867915 0.00489737720130 0.24955930713995 15.999 62 O 0.49909903208275 0.75558211052821 0.96719589001816 15.999 63 O 0.50090096791725 0.25558211052821 0.53280410998184 15.999 64 O 0.00090096791725 0.24441788947179 0.46719589001816 15.999 65 O 0.01385269867915 0.49510262279870 0.74955930713995 15.999 66 O 0.51385269867915 0.00489737720130 0.25044069286005 15.999 67 O 0.48614730132085 0.50489737720130 0.24955930713995 15.999 68 O 0.98614730132085 0.99510262279870 0.75044069286005 15.999 69 O 0.98614730132085 0.50489737720130 0.25044069286005 15.999 70 O 0.48614730132085 0.99510262279870 0.74955930713995 15.999 71 O 0.51385269867915 0.49510262279870 0.75044069286005 15.999 72 O 0.99909903208275 0.74441788947179 0.03280410998184 15.999 73 Ga 0.88279172584884 0.38254826845463 0.85448242188245 69.723 74 Ga 0.38279172584884 0.11745173154537 0.14551757811755 69.723 75 Ga 0.61720827415116 0.61745173154537 0.35448242188245 69.723 76 Ga 0.11720827415116 0.88254826845463 0.64551757811755 69.723 77 Ga 0.11720827415116 0.61745173154537 0.14551757811755 69.723 78 Ga 0.61720827415116 0.88254826845463 0.85448242188245 69.723 79 Ga 0.38279172584884 0.38254826845463 0.64551757811755 69.723 80 Ga 0.88279172584884 0.11745173154537 0.35448242188245 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.051693100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.144988640000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.122748130000000 Atomic positions (fractional): 1 Li 0.89658890883155 0.84270580821689 0.88128620827421 6.941 > 1 2 Li 0.39658890883155 0.65729419178311 0.11871379172579 6.941 > 2 3 Li 0.60341109116845 0.15729419178311 0.38128620827421 6.941 > 3 4 Li 0.10341109116845 0.34270580821689 0.61871379172579 6.941 > 4 5 Li 0.10341109116845 0.15729419178311 0.11871379172579 6.941 > 5 6 Li 0.60341109116845 0.34270580821689 0.88128620827421 6.941 > 6 7 Li 0.39658890883155 0.84270580821689 0.61871379172579 6.941 > 7 8 Li 0.89658890883155 0.65729419178311 0.38128620827421 6.941 > 8 9 Li 0.89611511104267 0.14670050450446 0.62672412358150 6.941 > 9 10 Li 0.39611511104267 0.35329949549554 0.37327587641850 6.941 > 10 11 Li 0.60388488895733 0.85329949549554 0.12672412358150 6.941 > 11 12 Li 0.10388488895733 0.64670050450446 0.87327587641850 6.941 > 12 13 Li 0.10388488895733 0.85329949549554 0.37327587641850 6.941 > 13 14 Li 0.60388488895733 0.64670050450446 0.62672412358150 6.941 > 14 15 Li 0.39611511104267 0.14670050450446 0.87327587641850 6.941 > 15 16 Li 0.89611511104267 0.35329949549554 0.12672412358150 6.941 > 16 17 Li 0.85936276652326 0.10653245929096 0.88877460961914 6.941 > 17 18 Li 0.35936276652326 0.39346754070904 0.11122539038086 6.941 > 18 19 Li 0.64063723347674 0.89346754070904 0.38877460961914 6.941 > 19 20 Li 0.83585243251069 0.62011426176288 0.10725132824504 6.941 > 20 21 Li 0.14063723347674 0.89346754070904 0.11122539038086 6.941 > 21 22 Li 0.64063723347674 0.60653245929096 0.88877460961914 6.941 > 22 23 Li 0.35936276652326 0.10653245929096 0.61122539038086 6.941 > 23 24 Li 0.85936276652326 0.39346754070904 0.38877460961914 6.941 > 24 25 Li 0.87286817483886 0.62072130765865 0.64617741141989 6.941 > 25 26 Li 0.37286817483885 0.87927869234135 0.35382258858011 6.941 > 26 27 Li 0.62713182516114 0.37927869234134 0.14617741141989 6.941 > 27 28 Li 0.12713182516114 0.12072130765866 0.85382258858011 6.941 > 28 29 Li 0.12713182516114 0.37927869234134 0.35382258858011 6.941 > 29 30 Li 0.62713182516114 0.12072130765866 0.64617741141989 6.941 > 30 31 Li 0.37286817483885 0.62072130765865 0.85382258858011 6.941 > 31 32 Li 0.87286817483886 0.87927869234135 0.14617741141989 6.941 > 32 33 Li 0.83585243251069 0.87988573823712 0.60725132824504 6.941 > 33 34 Li 0.33585243251069 0.62011426176288 0.39274867175496 6.941 > 34 35 Li 0.66414756748931 0.12011426176288 0.10725132824504 6.941 > 35 36 Li 0.16414756748931 0.37988573823712 0.89274867175496 6.941 > 36 37 Li 0.16414756748931 0.12011426176288 0.39274867175496 6.941 > 37 38 Li 0.66414756748931 0.37988573823712 0.60725132824504 6.941 > 38 39 Li 0.33585243251069 0.87988573823712 0.89274867175496 6.941 > 39 40 Li 0.14063723347674 0.60653245929096 0.61122539038086 6.941 > 40 41 O 0.76132439932604 0.25434234524992 0.75076767295796 15.999 > 41 42 O 0.26132439932604 0.24565765475008 0.24923232704203 15.999 > 42 43 O 0.73867560067396 0.74565765475008 0.25076767295796 15.999 > 43 44 O 0.23867560067396 0.75434234524992 0.74923232704204 15.999 > 44 45 O 0.23867560067396 0.74565765475008 0.24923232704203 15.999 > 45 46 O 0.73867560067396 0.75434234524992 0.75076767295796 15.999 > 46 47 O 0.26132439932604 0.25434234524992 0.74923232704204 15.999 > 47 48 O 0.76132439932604 0.24565765475008 0.25076767295796 15.999 > 48 49 O 0.75532248879411 0.46581306452238 0.99189863535042 15.999 > 49 50 O 0.25532248879411 0.03418693547762 0.00810136464958 15.999 > 50 51 O 0.74467751120589 0.53418693547762 0.49189863535042 15.999 > 51 52 O 0.24467751120589 0.96581306452238 0.50810136464958 15.999 > 52 53 O 0.24467751120589 0.53418693547762 0.00810136464958 15.999 > 53 54 O 0.74467751120589 0.96581306452238 0.99189863535042 15.999 > 54 55 O 0.25532248879411 0.46581306452238 0.50810136464958 15.999 > 55 56 O 0.75532248879411 0.03418693547762 0.49189863535042 15.999 > 56 57 O 0.00090096791725 0.25558211052821 0.96719589001816 15.999 > 57 58 O 0.50090096791725 0.24441788947179 0.03280410998184 15.999 > 58 59 O 0.49909903208275 0.74441788947179 0.46719589001816 15.999 > 59 60 O 0.99909903208275 0.75558211052821 0.53280410998184 15.999 > 60 61 O 0.01385269867915 0.00489737720130 0.24955930713995 15.999 > 61 62 O 0.49909903208275 0.75558211052821 0.96719589001816 15.999 > 62 63 O 0.50090096791725 0.25558211052821 0.53280410998184 15.999 > 63 64 O 0.00090096791725 0.24441788947179 0.46719589001816 15.999 > 64 65 O 0.01385269867915 0.49510262279870 0.74955930713995 15.999 > 65 66 O 0.51385269867915 0.00489737720130 0.25044069286005 15.999 > 66 67 O 0.48614730132085 0.50489737720130 0.24955930713995 15.999 > 67 68 O 0.98614730132085 0.99510262279870 0.75044069286005 15.999 > 68 69 O 0.98614730132085 0.50489737720130 0.25044069286005 15.999 > 69 70 O 0.48614730132085 0.99510262279870 0.74955930713995 15.999 > 70 71 O 0.51385269867915 0.49510262279870 0.75044069286005 15.999 > 71 72 O 0.99909903208275 0.74441788947179 0.03280410998184 15.999 > 72 73 Ga 0.88279172584884 0.38254826845463 0.85448242188245 69.723 > 73 74 Ga 0.38279172584884 0.11745173154537 0.14551757811755 69.723 > 74 75 Ga 0.61720827415116 0.61745173154537 0.35448242188245 69.723 > 75 76 Ga 0.11720827415116 0.88254826845463 0.64551757811755 69.723 > 76 77 Ga 0.11720827415116 0.61745173154537 0.14551757811755 69.723 > 77 78 Ga 0.61720827415116 0.88254826845463 0.85448242188245 69.723 > 78 79 Ga 0.38279172584884 0.38254826845463 0.64551757811755 69.723 > 79 80 Ga 0.88279172584884 0.11745173154537 0.35448242188245 69.723 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1083140 0.0000000 0.0000000 0.0000000 3.0481478 0.0000000 0.0000000 0.0000000 3.0587452 -------------------------- Born effective charges -------------------------- 1 Li 1.0723741 -0.0119950 -0.0029438 -0.0682429 0.8642666 -0.1023034 0.0256933 -0.1317608 1.0108339 2 Li 1.0723741 0.0119950 0.0029438 0.0682429 0.8642666 -0.1023034 -0.0256933 -0.1317608 1.0108339 3 Li 1.0723741 -0.0119950 0.0029438 -0.0682429 0.8642666 0.1023034 -0.0256933 0.1317608 1.0108339 4 Li 1.0723741 0.0119950 -0.0029438 0.0682429 0.8642666 0.1023034 0.0256933 0.1317608 1.0108339 5 Li 1.0723741 -0.0119950 -0.0029438 -0.0682429 0.8642666 -0.1023034 0.0256933 -0.1317608 1.0108339 6 Li 1.0723741 0.0119950 0.0029438 0.0682429 0.8642666 -0.1023034 -0.0256933 -0.1317608 1.0108339 7 Li 1.0723741 -0.0119950 0.0029438 -0.0682429 0.8642666 0.1023034 -0.0256933 0.1317608 1.0108339 8 Li 1.0723741 0.0119950 -0.0029438 0.0682429 0.8642666 0.1023034 0.0256933 0.1317608 1.0108339 9 Li 0.8272030 -0.0772741 0.0690452 -0.0954781 0.9052652 0.0105524 -0.0237870 0.0644073 1.0228570 10 Li 0.8272030 0.0772741 -0.0690452 0.0954781 0.9052652 0.0105524 0.0237870 0.0644073 1.0228570 11 Li 0.8272030 -0.0772741 -0.0690452 -0.0954781 0.9052652 -0.0105524 0.0237870 -0.0644073 1.0228570 12 Li 0.8272030 0.0772741 0.0690452 0.0954781 0.9052652 -0.0105524 -0.0237870 -0.0644073 1.0228570 13 Li 0.8272030 -0.0772741 0.0690452 -0.0954781 0.9052652 0.0105524 -0.0237870 0.0644073 1.0228570 14 Li 0.8272030 0.0772741 -0.0690452 0.0954781 0.9052652 0.0105524 0.0237870 0.0644073 1.0228570 15 Li 0.8272030 -0.0772741 -0.0690452 -0.0954781 0.9052652 -0.0105524 0.0237870 -0.0644073 1.0228570 16 Li 0.8272030 0.0772741 0.0690452 0.0954781 0.9052652 -0.0105524 -0.0237870 -0.0644073 1.0228570 17 Li 0.9462541 0.0248698 -0.1635935 0.0240962 1.1173077 0.0112899 -0.0855602 0.0554226 0.8970850 18 Li 0.9462541 -0.0248698 0.1635935 -0.0240962 1.1173077 0.0112899 0.0855602 0.0554226 0.8970850 19 Li 0.9462541 0.0248698 0.1635935 0.0240962 1.1173077 -0.0112899 0.0855602 -0.0554226 0.8970850 20 Li 0.9914741 -0.1040444 -0.0054818 0.0100862 0.9192895 0.0540580 0.0403284 0.1085119 0.9373529 21 Li 0.9462541 0.0248698 -0.1635935 0.0240962 1.1173077 0.0112899 -0.0855602 0.0554226 0.8970850 22 Li 0.9462541 -0.0248698 0.1635935 -0.0240962 1.1173077 0.0112899 0.0855602 0.0554226 0.8970850 23 Li 0.9462541 0.0248698 0.1635935 0.0240962 1.1173077 -0.0112899 0.0855602 -0.0554226 0.8970850 24 Li 0.9462541 -0.0248698 -0.1635935 -0.0240962 1.1173077 -0.0112899 -0.0855602 -0.0554226 0.8970850 25 Li 1.0247602 0.0349119 -0.0190940 -0.0673817 1.0071014 -0.0653952 0.0845554 0.0449326 0.9862720 26 Li 1.0247602 -0.0349119 0.0190940 0.0673817 1.0071014 -0.0653952 -0.0845554 0.0449326 0.9862720 27 Li 1.0247602 0.0349119 0.0190940 -0.0673817 1.0071014 0.0653952 -0.0845554 -0.0449326 0.9862720 28 Li 1.0247602 -0.0349119 -0.0190940 0.0673817 1.0071014 0.0653952 0.0845554 -0.0449326 0.9862720 29 Li 1.0247602 0.0349119 -0.0190940 -0.0673817 1.0071014 -0.0653952 0.0845554 0.0449326 0.9862720 30 Li 1.0247602 -0.0349119 0.0190940 0.0673817 1.0071014 -0.0653952 -0.0845554 0.0449326 0.9862720 31 Li 1.0247602 0.0349119 0.0190940 -0.0673817 1.0071014 0.0653952 -0.0845554 -0.0449326 0.9862720 32 Li 1.0247602 -0.0349119 -0.0190940 0.0673817 1.0071014 0.0653952 0.0845554 -0.0449326 0.9862720 33 Li 0.9914741 0.1040444 -0.0054818 -0.0100862 0.9192895 -0.0540580 0.0403284 -0.1085119 0.9373529 34 Li 0.9914741 -0.1040444 0.0054818 0.0100862 0.9192895 -0.0540580 -0.0403284 -0.1085119 0.9373529 35 Li 0.9914741 0.1040444 0.0054818 -0.0100862 0.9192895 0.0540580 -0.0403284 0.1085119 0.9373529 36 Li 0.9914741 -0.1040444 -0.0054818 0.0100862 0.9192895 0.0540580 0.0403284 0.1085119 0.9373529 37 Li 0.9914741 0.1040444 -0.0054818 -0.0100862 0.9192895 -0.0540580 0.0403284 -0.1085119 0.9373529 38 Li 0.9914741 -0.1040444 0.0054818 0.0100862 0.9192895 -0.0540580 -0.0403284 -0.1085119 0.9373529 39 Li 0.9914741 0.1040444 0.0054818 -0.0100862 0.9192895 0.0540580 -0.0403284 0.1085119 0.9373529 40 Li 0.9462541 -0.0248698 -0.1635935 -0.0240962 1.1173077 -0.0112899 -0.0855602 -0.0554226 0.8970850 41 O -1.8427062 -0.1107486 -0.2358568 -0.1667347 -1.8174730 -0.2103982 -0.2528315 -0.3251332 -1.7610293 42 O -1.8427062 0.1107486 0.2358568 0.1667347 -1.8174730 -0.2103982 0.2528315 -0.3251332 -1.7610293 43 O -1.8427062 -0.1107486 0.2358568 -0.1667347 -1.8174730 0.2103982 0.2528315 0.3251332 -1.7610293 44 O -1.8427062 0.1107486 -0.2358568 0.1667347 -1.8174730 0.2103982 -0.2528315 0.3251332 -1.7610293 45 O -1.8427062 -0.1107486 -0.2358568 -0.1667347 -1.8174730 -0.2103982 -0.2528315 -0.3251332 -1.7610293 46 O -1.8427062 0.1107486 0.2358568 0.1667347 -1.8174730 -0.2103982 0.2528315 -0.3251332 -1.7610293 47 O -1.8427062 -0.1107486 0.2358568 -0.1667347 -1.8174730 0.2103982 0.2528315 0.3251332 -1.7610293 48 O -1.8427062 0.1107486 -0.2358568 0.1667347 -1.8174730 0.2103982 -0.2528315 0.3251332 -1.7610293 49 O -1.8276337 0.1342805 0.1134460 0.1465128 -1.6813443 -0.2307957 0.1823320 -0.1244752 -1.8928676 50 O -1.8276337 -0.1342805 -0.1134460 -0.1465128 -1.6813443 -0.2307957 -0.1823320 -0.1244752 -1.8928676 51 O -1.8276337 0.1342805 -0.1134460 0.1465128 -1.6813443 0.2307957 -0.1823320 0.1244752 -1.8928676 52 O -1.8276337 -0.1342805 0.1134460 -0.1465128 -1.6813443 0.2307957 0.1823320 0.1244752 -1.8928676 53 O -1.8276337 0.1342805 0.1134460 0.1465128 -1.6813443 -0.2307957 0.1823320 -0.1244752 -1.8928676 54 O -1.8276337 -0.1342805 -0.1134460 -0.1465128 -1.6813443 -0.2307957 -0.1823320 -0.1244752 -1.8928676 55 O -1.8276337 0.1342805 -0.1134460 0.1465128 -1.6813443 0.2307957 -0.1823320 0.1244752 -1.8928676 56 O -1.8276337 -0.1342805 0.1134460 -0.1465128 -1.6813443 0.2307957 0.1823320 0.1244752 -1.8928676 57 O -1.8153147 0.3163615 -0.1950888 0.1982956 -1.7839216 0.1868970 -0.1979615 0.1930375 -1.8006228 58 O -1.8153147 -0.3163615 0.1950888 -0.1982956 -1.7839216 0.1868970 0.1979615 0.1930375 -1.8006228 59 O -1.8153147 0.3163615 0.1950888 0.1982956 -1.7839216 -0.1868970 0.1979615 -0.1930375 -1.8006228 60 O -1.8153147 -0.3163615 -0.1950888 -0.1982956 -1.7839216 -0.1868970 -0.1979615 -0.1930375 -1.8006228 61 O -1.8268910 0.1850446 0.1939160 0.2965798 -1.8434011 -0.2615515 0.2233805 -0.2089111 -1.7339810 62 O -1.8153147 -0.3163615 0.1950888 -0.1982956 -1.7839216 0.1868970 0.1979615 0.1930375 -1.8006228 63 O -1.8153147 0.3163615 0.1950888 0.1982956 -1.7839216 -0.1868970 0.1979615 -0.1930375 -1.8006228 64 O -1.8153147 -0.3163615 -0.1950888 -0.1982956 -1.7839216 -0.1868970 -0.1979615 -0.1930375 -1.8006228 65 O -1.8268910 -0.1850446 0.1939160 -0.2965798 -1.8434011 0.2615515 0.2233805 0.2089111 -1.7339810 66 O -1.8268910 0.1850446 -0.1939160 0.2965798 -1.8434011 0.2615515 -0.2233805 0.2089111 -1.7339810 67 O -1.8268910 -0.1850446 -0.1939160 -0.2965798 -1.8434011 -0.2615515 -0.2233805 -0.2089111 -1.7339810 68 O -1.8268910 0.1850446 0.1939160 0.2965798 -1.8434011 -0.2615515 0.2233805 -0.2089111 -1.7339810 69 O -1.8268910 -0.1850446 0.1939160 -0.2965798 -1.8434011 0.2615515 0.2233805 0.2089111 -1.7339810 70 O -1.8268910 0.1850446 -0.1939160 0.2965798 -1.8434011 0.2615515 -0.2233805 0.2089111 -1.7339810 71 O -1.8268910 -0.1850446 -0.1939160 -0.2965798 -1.8434011 -0.2615515 -0.2233805 -0.2089111 -1.7339810 72 O -1.8153147 0.3163615 -0.1950888 0.1982956 -1.7839216 0.1868970 -0.1979615 0.1930375 -1.8006228 73 Ga 2.4504800 0.0343185 0.0065082 0.1292091 2.3129096 0.0123242 -0.0319667 0.0630363 2.3340999 74 Ga 2.4504800 -0.0343185 -0.0065082 -0.1292091 2.3129096 0.0123242 0.0319667 0.0630363 2.3340999 75 Ga 2.4504800 0.0343185 -0.0065082 0.1292091 2.3129096 -0.0123242 0.0319667 -0.0630363 2.3340999 76 Ga 2.4504800 -0.0343185 0.0065082 -0.1292091 2.3129096 -0.0123242 -0.0319667 -0.0630363 2.3340999 77 Ga 2.4504800 0.0343185 0.0065082 0.1292091 2.3129096 0.0123242 -0.0319667 0.0630363 2.3340999 78 Ga 2.4504800 -0.0343185 -0.0065082 -0.1292091 2.3129096 0.0123242 0.0319667 0.0630363 2.3340999 79 Ga 2.4504800 0.0343185 -0.0065082 0.1292091 2.3129096 -0.0123242 0.0319667 -0.0630363 2.3340999 80 Ga 2.4504800 -0.0343185 0.0065082 -0.1292091 2.3129096 -0.0123242 -0.0319667 -0.0630363 2.3340999 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zxy) -0.00000000 (xzy) -0.00000000 (xyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 305, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 36 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 3.483 ( 0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.915 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 4.181 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.711 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 4.872 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.107 ( 0.000 0.000 0.000) 0.000 5.793 ( 0.000 0.000 0.000) 0.000 5.795 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 0.000) 0.000 6.021 ( 0.000 0.000 0.000) 0.000 6.098 ( 0.000 0.000 0.000) 0.000 6.437 ( 0.000 0.000 0.000) 0.000 6.491 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 6.570 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 6.892 ( 0.000 0.000 0.000) 0.000 6.988 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 7.035 ( 0.000 0.000 0.000) 0.000 7.403 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 0.000) 0.000 7.427 ( 0.000 0.000 0.000) 0.000 7.548 ( 0.000 0.000 0.000) 0.000 7.598 ( 0.000 0.000 0.000) 0.000 7.609 ( 0.000 0.000 0.000) 0.000 7.658 ( 0.000 0.000 0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 7.752 ( 0.000 0.000 0.000) 0.000 7.877 ( 0.000 0.000 0.000) 0.000 7.943 ( 0.000 0.000 0.000) 0.000 8.094 ( 0.000 0.000 0.000) 0.000 8.223 ( 0.000 0.000 0.000) 0.000 8.275 ( 0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.406 ( 0.000 0.000 0.000) 0.000 8.455 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.670 ( 0.000 0.000 0.000) 0.000 8.700 ( 0.000 0.000 0.000) 0.000 8.717 ( 0.000 0.000 0.000) 0.000 8.864 ( 0.000 0.000 0.000) 0.000 8.900 ( 0.000 0.000 0.000) 0.000 8.979 ( 0.000 0.000 0.000) 0.000 8.981 ( 0.000 0.000 0.000) 0.000 9.015 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 9.105 ( 0.000 0.000 0.000) 0.000 9.153 ( 0.000 0.000 0.000) 0.000 9.180 ( 0.000 0.000 0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.313 ( 0.000 0.000 0.000) 0.000 9.358 ( 0.000 0.000 0.000) 0.000 9.361 ( 0.000 0.000 0.000) 0.000 9.427 ( 0.000 0.000 0.000) 0.000 9.539 ( 0.000 0.000 0.000) 0.000 9.556 ( 0.000 0.000 0.000) 0.000 9.567 ( 0.000 0.000 0.000) 0.000 9.642 ( 0.000 0.000 0.000) 0.000 9.652 ( 0.000 0.000 0.000) 0.000 9.754 ( 0.000 0.000 0.000) 0.000 9.851 ( 0.000 0.000 0.000) 0.000 9.934 ( 0.000 0.000 0.000) 0.000 9.957 ( 0.000 0.000 0.000) 0.000 9.987 ( 0.000 0.000 0.000) 0.000 10.110 ( 0.000 0.000 0.000) 0.000 10.221 ( 0.000 0.000 0.000) 0.000 10.285 ( 0.000 0.000 0.000) 0.000 10.322 ( 0.000 0.000 0.000) 0.000 10.387 ( 0.000 0.000 0.000) 0.000 10.447 ( 0.000 0.000 0.000) 0.000 10.458 ( 0.000 0.000 0.000) 0.000 10.508 ( 0.000 0.000 0.000) 0.000 10.541 ( 0.000 0.000 0.000) 0.000 10.740 ( 0.000 0.000 0.000) 0.000 10.743 ( 0.000 0.000 0.000) 0.000 10.773 ( 0.000 0.000 0.000) 0.000 10.844 ( 0.000 0.000 0.000) 0.000 10.922 ( 0.000 0.000 0.000) 0.000 10.924 ( 0.000 0.000 0.000) 0.000 10.925 ( 0.000 0.000 0.000) 0.000 11.020 ( 0.000 0.000 0.000) 0.000 11.073 ( 0.000 0.000 0.000) 0.000 11.115 ( 0.000 0.000 0.000) 0.000 11.207 ( 0.000 0.000 0.000) 0.000 11.209 ( 0.000 0.000 0.000) 0.000 11.240 ( 0.000 0.000 0.000) 0.000 11.398 ( 0.000 0.000 0.000) 0.000 11.598 ( 0.000 0.000 0.000) 0.000 11.638 ( 0.000 0.000 0.000) 0.000 11.676 ( 0.000 0.000 0.000) 0.000 11.695 ( 0.000 0.000 0.000) 0.000 11.785 ( 0.000 0.000 0.000) 0.000 11.788 ( 0.000 0.000 0.000) 0.000 11.815 ( 0.000 0.000 0.000) 0.000 11.822 ( 0.000 0.000 0.000) 0.000 12.152 ( 0.000 0.000 0.000) 0.000 12.174 ( 0.000 0.000 0.000) 0.000 12.188 ( 0.000 0.000 0.000) 0.000 12.194 ( 0.000 0.000 0.000) 0.000 12.248 ( 0.000 0.000 0.000) 0.000 12.344 ( 0.000 0.000 0.000) 0.000 12.453 ( 0.000 0.000 0.000) 0.000 12.528 ( 0.000 0.000 0.000) 0.000 12.569 ( 0.000 0.000 0.000) 0.000 12.589 ( 0.000 0.000 0.000) 0.000 12.638 ( 0.000 0.000 0.000) 0.000 12.642 ( 0.000 0.000 0.000) 0.000 12.678 ( 0.000 0.000 0.000) 0.000 12.724 ( 0.000 0.000 0.000) 0.000 12.734 ( 0.000 0.000 0.000) 0.000 12.780 ( 0.000 0.000 0.000) 0.000 12.785 ( 0.000 0.000 0.000) 0.000 12.832 ( 0.000 0.000 0.000) 0.000 12.834 ( 0.000 0.000 0.000) 0.000 13.042 ( 0.000 0.000 0.000) 0.000 13.099 ( 0.000 0.000 0.000) 0.000 13.150 ( 0.000 0.000 0.000) 0.000 13.153 ( 0.000 0.000 0.000) 0.000 13.347 ( 0.000 0.000 0.000) 0.000 13.366 ( 0.000 0.000 0.000) 0.000 13.390 ( 0.000 0.000 0.000) 0.000 13.498 ( 0.000 0.000 0.000) 0.000 13.516 ( 0.000 0.000 0.000) 0.000 13.536 ( 0.000 0.000 0.000) 0.000 13.720 ( 0.000 0.000 0.000) 0.000 13.791 ( 0.000 0.000 0.000) 0.000 13.832 ( 0.000 0.000 0.000) 0.000 13.890 ( 0.000 0.000 0.000) 0.000 13.938 ( 0.000 0.000 0.000) 0.000 13.956 ( 0.000 0.000 0.000) 0.000 14.114 ( 0.000 0.000 0.000) 0.000 14.264 ( 0.000 0.000 0.000) 0.000 14.338 ( 0.000 0.000 0.000) 0.000 14.413 ( 0.000 0.000 0.000) 0.000 14.447 ( 0.000 0.000 0.000) 0.000 14.486 ( 0.000 0.000 0.000) 0.000 14.541 ( 0.000 0.000 0.000) 0.000 14.564 ( 0.000 0.000 0.000) 0.000 14.579 ( 0.000 0.000 0.000) 0.000 14.599 ( 0.000 0.000 0.000) 0.000 14.967 ( 0.000 0.000 0.000) 0.000 14.990 ( 0.000 0.000 0.000) 0.000 15.049 ( 0.000 0.000 0.000) 0.000 15.084 ( 0.000 0.000 0.000) 0.000 15.090 ( 0.000 0.000 0.000) 0.000 15.317 ( 0.000 0.000 0.000) 0.000 15.470 ( 0.000 0.000 0.000) 0.000 15.511 ( 0.000 0.000 0.000) 0.000 15.558 ( 0.000 0.000 0.000) 0.000 15.654 ( 0.000 0.000 0.000) 0.000 15.660 ( 0.000 0.000 0.000) 0.000 15.742 ( 0.000 0.000 0.000) 0.000 15.800 ( 0.000 0.000 0.000) 0.000 15.932 ( 0.000 0.000 0.000) 0.000 16.016 ( 0.000 0.000 0.000) 0.000 16.021 ( 0.000 0.000 0.000) 0.000 16.187 ( 0.000 0.000 0.000) 0.000 16.269 ( 0.000 0.000 0.000) 0.000 16.311 ( 0.000 0.000 0.000) 0.000 16.312 ( 0.000 0.000 0.000) 0.000 16.383 ( 0.000 0.000 0.000) 0.000 16.520 ( 0.000 0.000 0.000) 0.000 16.576 ( 0.000 0.000 0.000) 0.000 16.656 ( 0.000 0.000 0.000) 0.000 16.695 ( 0.000 0.000 0.000) 0.000 16.701 ( 0.000 0.000 0.000) 0.000 16.711 ( 0.000 0.000 0.000) 0.000 16.866 ( 0.000 0.000 0.000) 0.000 16.866 ( 0.000 0.000 0.000) 0.000 16.932 ( 0.000 0.000 0.000) 0.000 16.968 ( 0.000 0.000 0.000) 0.000 16.974 ( 0.000 0.000 0.000) 0.000 17.035 ( 0.000 0.000 0.000) 0.000 17.054 ( 0.000 0.000 0.000) 0.000 17.213 ( 0.000 0.000 0.000) 0.000 17.264 ( 0.000 0.000 0.000) 0.000 17.315 ( 0.000 0.000 0.000) 0.000 17.326 ( 0.000 0.000 0.000) 0.000 17.329 ( 0.000 0.000 0.000) 0.000 17.333 ( 0.000 0.000 0.000) 0.000 17.440 ( 0.000 0.000 0.000) 0.000 17.524 ( 0.000 0.000 0.000) 0.000 17.526 ( 0.000 0.000 0.000) 0.000 17.526 ( 0.000 0.000 0.000) 0.000 17.529 ( 0.000 0.000 0.000) 0.000 17.554 ( 0.000 0.000 0.000) 0.000 17.741 ( 0.000 0.000 0.000) 0.000 17.778 ( 0.000 0.000 0.000) 0.000 17.822 ( 0.000 0.000 0.000) 0.000 17.945 ( 0.000 0.000 0.000) 0.000 17.945 ( 0.000 0.000 0.000) 0.000 17.974 ( 0.000 0.000 0.000) 0.000 18.188 ( 0.000 0.000 0.000) 0.000 18.423 ( 0.000 0.000 0.000) 0.000 18.430 ( 0.000 0.000 0.000) 0.000 18.464 ( 0.000 0.000 0.000) 0.000 18.544 ( 0.000 0.000 0.000) 0.000 18.582 ( 0.000 0.000 0.000) 0.000 18.616 ( 0.000 0.000 0.000) 0.000 18.655 ( 0.000 0.000 0.000) 0.000 18.856 ( 0.000 0.000 0.000) 0.000 18.937 ( 0.000 0.000 0.000) 0.000 19.082 ( 0.000 0.000 0.000) 0.000 19.314 ( 0.000 0.000 0.000) 0.000 19.386 ( 0.000 0.000 0.000) 0.000 19.459 ( 0.000 0.000 0.000) 0.000 19.490 ( 0.000 0.000 0.000) 0.000 19.524 ( 0.000 0.000 0.000) 0.000 19.646 ( 0.000 0.000 0.000) 0.000 20.122 ( 0.000 0.000 0.000) 0.000 20.159 ( 0.000 0.000 0.000) 0.000 20.984 ( 0.000 0.000 0.000) 0.000 21.354 ( 0.000 0.000 0.000) 0.000 21.438 ( 0.000 0.000 0.000) 0.000 21.453 ( 0.000 0.000 0.000) 0.000 21.557 ( 0.000 0.000 0.000) 0.000 21.641 ( 0.000 0.000 0.000) 0.000 21.804 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 44.240 0.000 0.000) 44.240 0.832 ( 44.818 0.000 0.000) 44.818 1.383 ( 73.580 0.000 0.000) 73.580 3.477 ( -7.783 0.000 0.000) 7.783 3.708 ( -27.279 0.000 0.000) 27.279 3.745 ( -7.073 0.000 0.000) 7.073 3.852 ( 3.219 0.000 0.000) 3.219 3.909 ( 5.514 0.000 0.000) 5.514 4.090 ( 7.839 0.000 0.000) 7.839 4.131 ( 0.117 0.000 0.000) 0.117 4.177 ( -6.474 0.000 0.000) 6.474 4.191 ( 0.796 0.000 0.000) 0.796 4.336 ( -6.541 0.000 0.000) 6.541 4.355 ( -5.000 0.000 0.000) 5.000 4.454 ( 5.700 0.000 0.000) 5.700 4.536 ( 2.187 0.000 0.000) 2.187 4.598 ( 1.347 0.000 0.000) 1.347 4.663 ( 8.950 0.000 0.000) 8.950 4.772 ( 6.302 0.000 0.000) 6.302 4.825 ( -3.904 0.000 0.000) 3.904 4.849 ( 3.944 0.000 0.000) 3.944 4.866 ( -11.370 0.000 0.000) 11.370 4.926 ( -2.522 0.000 0.000) 2.522 5.075 ( -5.662 0.000 0.000) 5.662 5.830 ( 3.718 0.000 0.000) 3.718 5.870 ( 5.335 0.000 0.000) 5.335 5.940 ( 4.197 0.000 0.000) 4.197 5.960 ( -4.323 0.000 0.000) 4.323 6.171 ( 9.157 0.000 0.000) 9.157 6.457 ( -2.755 0.000 0.000) 2.755 6.513 ( -2.647 0.000 0.000) 2.647 6.587 ( 13.587 0.000 0.000) 13.587 6.633 ( 6.680 0.000 0.000) 6.680 6.677 ( -1.585 0.000 0.000) 1.585 6.860 ( -3.415 0.000 0.000) 3.415 6.928 ( -3.697 0.000 0.000) 3.697 6.979 ( 0.603 0.000 0.000) 0.603 7.109 ( 10.246 0.000 0.000) 10.246 7.139 ( 9.217 0.000 0.000) 9.217 7.240 ( -8.572 0.000 0.000) 8.572 7.353 ( -10.937 0.000 0.000) 10.937 7.369 ( -18.023 0.000 0.000) 18.023 7.483 ( 0.493 0.000 0.000) 0.493 7.502 ( 1.243 0.000 0.000) 1.243 7.544 ( -5.205 0.000 0.000) 5.205 7.628 ( 0.378 0.000 0.000) 0.378 7.754 ( 1.644 0.000 0.000) 1.644 7.858 ( 5.375 0.000 0.000) 5.375 7.866 ( -1.330 0.000 0.000) 1.330 7.917 ( -2.422 0.000 0.000) 2.422 8.160 ( 5.134 0.000 0.000) 5.134 8.224 ( -0.442 0.000 0.000) 0.442 8.280 ( -8.410 0.000 0.000) 8.410 8.281 ( -7.148 0.000 0.000) 7.148 8.326 ( -2.153 0.000 0.000) 2.153 8.481 ( -5.443 0.000 0.000) 5.443 8.522 ( 0.751 0.000 0.000) 0.751 8.546 ( 0.599 0.000 0.000) 0.599 8.592 ( -2.095 0.000 0.000) 2.095 8.703 ( 2.092 0.000 0.000) 2.092 8.827 ( -3.763 0.000 0.000) 3.763 8.883 ( 14.016 0.000 0.000) 14.016 8.886 ( -1.213 0.000 0.000) 1.213 8.930 ( -7.527 0.000 0.000) 7.527 8.945 ( -3.990 0.000 0.000) 3.990 9.026 ( -3.004 0.000 0.000) 3.004 9.062 ( 3.599 0.000 0.000) 3.599 9.136 ( 1.099 0.000 0.000) 1.099 9.148 ( -0.303 0.000 0.000) 0.303 9.258 ( 8.410 0.000 0.000) 8.410 9.285 ( -1.534 0.000 0.000) 1.534 9.311 ( 5.994 0.000 0.000) 5.994 9.368 ( 6.099 0.000 0.000) 6.099 9.409 ( 2.281 0.000 0.000) 2.281 9.411 ( 2.067 0.000 0.000) 2.067 9.415 ( -0.769 0.000 0.000) 0.769 9.538 ( -1.442 0.000 0.000) 1.442 9.547 ( 1.185 0.000 0.000) 1.185 9.573 ( -2.719 0.000 0.000) 2.719 9.648 ( -4.419 0.000 0.000) 4.419 9.724 ( -1.037 0.000 0.000) 1.037 9.787 ( 9.049 0.000 0.000) 9.049 9.861 ( -8.434 0.000 0.000) 8.434 9.879 ( 1.454 0.000 0.000) 1.454 9.923 ( -1.168 0.000 0.000) 1.168 10.023 ( 3.527 0.000 0.000) 3.527 10.086 ( 1.125 0.000 0.000) 1.125 10.145 ( -7.663 0.000 0.000) 7.663 10.289 ( -2.851 0.000 0.000) 2.851 10.358 ( 6.547 0.000 0.000) 6.547 10.396 ( -2.408 0.000 0.000) 2.408 10.523 ( 7.498 0.000 0.000) 7.498 10.572 ( 4.234 0.000 0.000) 4.234 10.592 ( 9.669 0.000 0.000) 9.669 10.670 ( 1.896 0.000 0.000) 1.896 10.683 ( -4.934 0.000 0.000) 4.934 10.757 ( 11.745 0.000 0.000) 11.745 10.815 ( -3.595 0.000 0.000) 3.595 10.883 ( -3.750 0.000 0.000) 3.750 10.888 ( -4.823 0.000 0.000) 4.823 10.904 ( -1.739 0.000 0.000) 1.739 10.958 ( 9.188 0.000 0.000) 9.188 10.990 ( -0.808 0.000 0.000) 0.808 11.066 ( -0.660 0.000 0.000) 0.660 11.112 ( -0.196 0.000 0.000) 0.196 11.204 ( -0.932 0.000 0.000) 0.932 11.215 ( 1.193 0.000 0.000) 1.193 11.218 ( -1.117 0.000 0.000) 1.117 11.315 ( -7.463 0.000 0.000) 7.463 11.564 ( -7.688 0.000 0.000) 7.688 11.601 ( 0.411 0.000 0.000) 0.411 11.698 ( -7.719 0.000 0.000) 7.719 11.722 ( 7.217 0.000 0.000) 7.217 11.755 ( 2.933 0.000 0.000) 2.933 11.756 ( -1.391 0.000 0.000) 1.391 11.814 ( -1.210 0.000 0.000) 1.210 11.880 ( 3.734 0.000 0.000) 3.734 12.107 ( -7.031 0.000 0.000) 7.031 12.119 ( -7.589 0.000 0.000) 7.589 12.125 ( -5.064 0.000 0.000) 5.064 12.138 ( -1.664 0.000 0.000) 1.664 12.289 ( -5.246 0.000 0.000) 5.246 12.342 ( 9.051 0.000 0.000) 9.051 12.487 ( 3.125 0.000 0.000) 3.125 12.543 ( -5.292 0.000 0.000) 5.292 12.556 ( -0.760 0.000 0.000) 0.760 12.610 ( -1.786 0.000 0.000) 1.786 12.647 ( 5.600 0.000 0.000) 5.600 12.664 ( 0.149 0.000 0.000) 0.149 12.690 ( 4.585 0.000 0.000) 4.585 12.698 ( -4.936 0.000 0.000) 4.936 12.734 ( -0.025 0.000 0.000) 0.025 12.751 ( 1.973 0.000 0.000) 1.973 12.868 ( 3.210 0.000 0.000) 3.210 12.922 ( 4.680 0.000 0.000) 4.680 13.015 ( -5.298 0.000 0.000) 5.298 13.025 ( -0.689 0.000 0.000) 0.689 13.054 ( -4.058 0.000 0.000) 4.058 13.262 ( 8.145 0.000 0.000) 8.145 13.285 ( -7.338 0.000 0.000) 7.338 13.326 ( -2.331 0.000 0.000) 2.331 13.375 ( -1.675 0.000 0.000) 1.675 13.410 ( -5.980 0.000 0.000) 5.980 13.522 ( 0.248 0.000 0.000) 0.248 13.597 ( 4.825 0.000 0.000) 4.825 13.604 ( 4.023 0.000 0.000) 4.023 13.650 ( -2.152 0.000 0.000) 2.152 13.845 ( -3.441 0.000 0.000) 3.441 13.870 ( 2.654 0.000 0.000) 2.654 13.874 ( -2.956 0.000 0.000) 2.956 13.931 ( -2.630 0.000 0.000) 2.630 13.964 ( 1.946 0.000 0.000) 1.946 14.097 ( -1.775 0.000 0.000) 1.775 14.155 ( -7.530 0.000 0.000) 7.530 14.300 ( -6.715 0.000 0.000) 6.715 14.402 ( 2.592 0.000 0.000) 2.592 14.431 ( -5.409 0.000 0.000) 5.409 14.486 ( 0.115 0.000 0.000) 0.115 14.598 ( 3.208 0.000 0.000) 3.208 14.628 ( 4.347 0.000 0.000) 4.347 14.674 ( 6.237 0.000 0.000) 6.237 14.907 ( -2.047 0.000 0.000) 2.047 14.991 ( 3.065 0.000 0.000) 3.065 15.018 ( 1.602 0.000 0.000) 1.602 15.036 ( -2.653 0.000 0.000) 2.653 15.092 ( 0.280 0.000 0.000) 0.280 15.415 ( 6.766 0.000 0.000) 6.766 15.457 ( -1.268 0.000 0.000) 1.268 15.558 ( 5.369 0.000 0.000) 5.369 15.642 ( -0.786 0.000 0.000) 0.786 15.642 ( 7.815 0.000 0.000) 7.815 15.670 ( 1.688 0.000 0.000) 1.688 15.739 ( 1.154 0.000 0.000) 1.154 15.794 ( -0.083 0.000 0.000) 0.083 15.975 ( 4.528 0.000 0.000) 4.528 16.006 ( -1.084 0.000 0.000) 1.084 16.068 ( 4.171 0.000 0.000) 4.171 16.132 ( -4.633 0.000 0.000) 4.633 16.255 ( -1.432 0.000 0.000) 1.432 16.315 ( 1.499 0.000 0.000) 1.499 16.366 ( 4.428 0.000 0.000) 4.428 16.419 ( 1.059 0.000 0.000) 1.059 16.472 ( -3.687 0.000 0.000) 3.687 16.516 ( -4.049 0.000 0.000) 4.049 16.630 ( -6.684 0.000 0.000) 6.684 16.633 ( -1.208 0.000 0.000) 1.208 16.664 ( 3.117 0.000 0.000) 3.117 16.676 ( -0.224 0.000 0.000) 0.224 16.755 ( 3.436 0.000 0.000) 3.436 16.827 ( -3.674 0.000 0.000) 3.674 16.847 ( -1.134 0.000 0.000) 1.134 16.898 ( -2.590 0.000 0.000) 2.590 16.962 ( -0.428 0.000 0.000) 0.428 16.968 ( -1.450 0.000 0.000) 1.450 17.095 ( 5.572 0.000 0.000) 5.572 17.175 ( -3.790 0.000 0.000) 3.790 17.226 ( -5.387 0.000 0.000) 5.387 17.290 ( -15.441 0.000 0.000) 15.441 17.324 ( -1.694 0.000 0.000) 1.694 17.326 ( 4.416 0.000 0.000) 4.416 17.337 ( -0.151 0.000 0.000) 0.151 17.410 ( 4.439 0.000 0.000) 4.439 17.426 ( -3.999 0.000 0.000) 3.999 17.521 ( 0.339 0.000 0.000) 0.339 17.538 ( -1.557 0.000 0.000) 1.557 17.598 ( 6.102 0.000 0.000) 6.102 17.646 ( 11.588 0.000 0.000) 11.588 17.697 ( -2.912 0.000 0.000) 2.912 17.790 ( -2.452 0.000 0.000) 2.452 17.792 ( 1.956 0.000 0.000) 1.956 17.801 ( 3.433 0.000 0.000) 3.433 17.990 ( 3.855 0.000 0.000) 3.855 17.993 ( 2.054 0.000 0.000) 2.054 17.999 ( 5.285 0.000 0.000) 5.285 18.340 ( -2.271 0.000 0.000) 2.271 18.366 ( 13.452 0.000 0.000) 13.452 18.369 ( -7.613 0.000 0.000) 7.613 18.511 ( -2.800 0.000 0.000) 2.800 18.573 ( -0.421 0.000 0.000) 0.421 18.582 ( 9.746 0.000 0.000) 9.746 18.756 ( 7.635 0.000 0.000) 7.635 18.836 ( -9.635 0.000 0.000) 9.635 18.893 ( 2.883 0.000 0.000) 2.883 18.978 ( -9.051 0.000 0.000) 9.051 19.304 ( -1.502 0.000 0.000) 1.502 19.386 ( 6.828 0.000 0.000) 6.828 19.389 ( 0.785 0.000 0.000) 0.785 19.463 ( -2.837 0.000 0.000) 2.837 19.524 ( 6.668 0.000 0.000) 6.668 19.756 ( 10.229 0.000 0.000) 10.229 20.097 ( -2.784 0.000 0.000) 2.784 20.156 ( -0.313 0.000 0.000) 0.313 21.007 ( 2.677 0.000 0.000) 2.677 21.275 ( -2.835 0.000 0.000) 2.835 21.398 ( -3.838 0.000 0.000) 3.838 21.421 ( -3.333 0.000 0.000) 3.333 21.574 ( -6.863 0.000 0.000) 6.863 21.575 ( 2.021 0.000 0.000) 2.021 21.731 ( -7.580 0.000 0.000) 7.580 21.995 ( -4.720 0.000 0.000) 4.720 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 42.520 0.000 0.000) 42.520 1.644 ( 43.143 0.000 0.000) 43.143 2.675 ( 65.003 0.000 0.000) 65.003 3.050 ( -31.626 0.000 0.000) 31.626 3.118 ( -35.771 0.000 0.000) 35.771 3.824 ( 9.179 0.000 0.000) 9.179 3.917 ( 2.867 0.000 0.000) 2.867 4.032 ( 7.078 0.000 0.000) 7.078 4.090 ( -2.538 0.000 0.000) 2.538 4.118 ( -1.825 0.000 0.000) 1.825 4.190 ( -1.462 0.000 0.000) 1.462 4.228 ( 0.501 0.000 0.000) 0.501 4.234 ( -4.382 0.000 0.000) 4.382 4.313 ( 7.254 0.000 0.000) 7.254 4.530 ( -22.804 0.000 0.000) 22.804 4.549 ( 4.738 0.000 0.000) 4.738 4.615 ( 2.048 0.000 0.000) 2.048 4.617 ( 1.968 0.000 0.000) 1.968 4.715 ( -4.373 0.000 0.000) 4.373 4.832 ( -1.840 0.000 0.000) 1.840 4.846 ( 1.275 0.000 0.000) 1.275 4.862 ( -2.867 0.000 0.000) 2.867 4.867 ( -15.209 0.000 0.000) 15.209 4.883 ( 4.504 0.000 0.000) 4.504 5.907 ( -1.318 0.000 0.000) 1.318 5.916 ( 0.118 0.000 0.000) 0.118 5.927 ( 6.287 0.000 0.000) 6.287 6.013 ( 2.840 0.000 0.000) 2.840 6.413 ( 14.125 0.000 0.000) 14.125 6.434 ( 0.972 0.000 0.000) 0.972 6.509 ( 2.094 0.000 0.000) 2.094 6.672 ( 1.771 0.000 0.000) 1.771 6.756 ( -5.334 0.000 0.000) 5.334 6.782 ( -9.980 0.000 0.000) 9.980 6.816 ( 13.364 0.000 0.000) 13.364 6.869 ( 12.672 0.000 0.000) 12.672 7.005 ( 1.504 0.000 0.000) 1.504 7.012 ( -15.675 0.000 0.000) 15.675 7.094 ( -14.975 0.000 0.000) 14.975 7.137 ( -1.858 0.000 0.000) 1.858 7.326 ( 7.000 0.000 0.000) 7.000 7.388 ( 16.242 0.000 0.000) 16.242 7.400 ( -9.581 0.000 0.000) 9.581 7.449 ( -1.554 0.000 0.000) 1.554 7.604 ( 7.863 0.000 0.000) 7.863 7.678 ( 4.340 0.000 0.000) 4.340 7.728 ( -4.075 0.000 0.000) 4.075 7.827 ( -2.786 0.000 0.000) 2.786 7.889 ( -0.398 0.000 0.000) 0.398 7.899 ( -1.618 0.000 0.000) 1.618 8.075 ( -10.734 0.000 0.000) 10.734 8.128 ( -8.023 0.000 0.000) 8.023 8.190 ( -3.166 0.000 0.000) 3.166 8.248 ( -6.921 0.000 0.000) 6.921 8.317 ( 6.419 0.000 0.000) 6.419 8.390 ( -2.223 0.000 0.000) 2.223 8.448 ( -1.764 0.000 0.000) 1.764 8.517 ( -3.481 0.000 0.000) 3.481 8.688 ( 6.404 0.000 0.000) 6.404 8.739 ( 1.156 0.000 0.000) 1.156 8.745 ( -5.143 0.000 0.000) 5.143 8.804 ( -3.888 0.000 0.000) 3.888 8.812 ( -5.859 0.000 0.000) 5.859 8.866 ( -3.809 0.000 0.000) 3.809 9.061 ( 6.305 0.000 0.000) 6.305 9.072 ( 3.097 0.000 0.000) 3.097 9.104 ( 0.517 0.000 0.000) 0.517 9.162 ( 2.473 0.000 0.000) 2.473 9.226 ( 9.189 0.000 0.000) 9.189 9.267 ( 0.189 0.000 0.000) 0.189 9.319 ( -4.007 0.000 0.000) 4.007 9.365 ( -5.891 0.000 0.000) 5.891 9.376 ( -1.088 0.000 0.000) 1.088 9.429 ( 6.954 0.000 0.000) 6.954 9.439 ( 2.177 0.000 0.000) 2.177 9.489 ( 2.238 0.000 0.000) 2.238 9.520 ( -1.289 0.000 0.000) 1.289 9.539 ( 1.273 0.000 0.000) 1.273 9.584 ( 2.084 0.000 0.000) 2.084 9.649 ( 4.208 0.000 0.000) 4.208 9.710 ( -6.950 0.000 0.000) 6.950 9.772 ( 5.737 0.000 0.000) 5.737 9.834 ( -4.641 0.000 0.000) 4.641 9.916 ( 3.476 0.000 0.000) 3.476 9.990 ( 6.696 0.000 0.000) 6.696 9.993 ( -7.451 0.000 0.000) 7.451 10.129 ( 8.009 0.000 0.000) 8.009 10.196 ( 8.535 0.000 0.000) 8.535 10.242 ( -2.181 0.000 0.000) 2.181 10.349 ( -1.937 0.000 0.000) 1.937 10.423 ( -0.311 0.000 0.000) 0.311 10.587 ( -3.465 0.000 0.000) 3.465 10.615 ( -4.752 0.000 0.000) 4.752 10.637 ( 3.999 0.000 0.000) 3.999 10.681 ( -1.682 0.000 0.000) 1.682 10.742 ( 0.826 0.000 0.000) 0.826 10.755 ( 1.891 0.000 0.000) 1.891 10.828 ( 0.452 0.000 0.000) 0.452 10.852 ( -0.882 0.000 0.000) 0.882 10.875 ( 5.414 0.000 0.000) 5.414 10.904 ( 1.963 0.000 0.000) 1.963 10.992 ( 0.171 0.000 0.000) 0.171 10.998 ( -5.796 0.000 0.000) 5.796 11.033 ( -0.507 0.000 0.000) 0.507 11.152 ( -4.768 0.000 0.000) 4.768 11.157 ( -8.171 0.000 0.000) 8.171 11.244 ( 5.002 0.000 0.000) 5.002 11.282 ( 5.946 0.000 0.000) 5.946 11.290 ( 17.774 0.000 0.000) 17.774 11.494 ( 1.583 0.000 0.000) 1.583 11.570 ( -5.515 0.000 0.000) 5.515 11.604 ( -0.393 0.000 0.000) 0.393 11.661 ( -11.786 0.000 0.000) 11.786 11.738 ( -0.453 0.000 0.000) 0.453 11.838 ( 3.953 0.000 0.000) 3.953 11.840 ( 2.132 0.000 0.000) 2.132 11.894 ( -6.393 0.000 0.000) 6.393 11.928 ( -11.831 0.000 0.000) 11.831 12.019 ( -2.014 0.000 0.000) 2.014 12.034 ( -0.324 0.000 0.000) 0.324 12.096 ( -2.514 0.000 0.000) 2.514 12.178 ( -6.331 0.000 0.000) 6.331 12.454 ( -2.541 0.000 0.000) 2.541 12.534 ( 9.713 0.000 0.000) 9.713 12.536 ( -1.610 0.000 0.000) 1.610 12.546 ( 0.076 0.000 0.000) 0.076 12.564 ( 0.778 0.000 0.000) 0.778 12.629 ( -1.525 0.000 0.000) 1.525 12.643 ( -2.649 0.000 0.000) 2.649 12.744 ( 2.116 0.000 0.000) 2.116 12.761 ( 5.241 0.000 0.000) 5.241 12.775 ( 4.085 0.000 0.000) 4.085 12.790 ( 1.637 0.000 0.000) 1.637 12.904 ( -6.819 0.000 0.000) 6.819 12.919 ( -3.323 0.000 0.000) 3.323 12.934 ( 2.767 0.000 0.000) 2.767 12.979 ( -2.951 0.000 0.000) 2.951 13.095 ( 6.749 0.000 0.000) 6.749 13.146 ( -6.898 0.000 0.000) 6.898 13.278 ( -2.105 0.000 0.000) 2.105 13.313 ( -4.126 0.000 0.000) 4.126 13.324 ( -4.050 0.000 0.000) 4.050 13.414 ( 7.365 0.000 0.000) 7.365 13.516 ( -0.786 0.000 0.000) 0.786 13.670 ( 3.362 0.000 0.000) 3.362 13.671 ( 3.960 0.000 0.000) 3.960 13.683 ( 2.902 0.000 0.000) 2.902 13.807 ( -1.158 0.000 0.000) 1.158 13.843 ( -4.692 0.000 0.000) 4.692 13.845 ( 1.268 0.000 0.000) 1.268 13.868 ( -3.232 0.000 0.000) 3.232 13.940 ( -6.660 0.000 0.000) 6.660 14.067 ( -0.420 0.000 0.000) 0.420 14.075 ( 1.190 0.000 0.000) 1.190 14.204 ( -3.956 0.000 0.000) 3.956 14.297 ( -8.698 0.000 0.000) 8.698 14.416 ( -0.020 0.000 0.000) 0.020 14.465 ( -1.924 0.000 0.000) 1.924 14.668 ( 3.815 0.000 0.000) 3.815 14.699 ( 2.786 0.000 0.000) 2.786 14.782 ( 4.914 0.000 0.000) 4.914 14.879 ( -1.179 0.000 0.000) 1.179 15.017 ( 0.248 0.000 0.000) 0.248 15.033 ( 0.027 0.000 0.000) 0.027 15.063 ( 3.601 0.000 0.000) 3.601 15.100 ( 0.509 0.000 0.000) 0.509 15.434 ( -0.959 0.000 0.000) 0.959 15.461 ( -1.339 0.000 0.000) 1.339 15.674 ( 5.327 0.000 0.000) 5.327 15.685 ( 4.648 0.000 0.000) 4.648 15.708 ( 2.008 0.000 0.000) 2.008 15.760 ( 0.759 0.000 0.000) 0.759 15.789 ( 5.899 0.000 0.000) 5.899 15.848 ( 8.367 0.000 0.000) 8.367 15.977 ( -1.966 0.000 0.000) 1.966 16.041 ( -4.918 0.000 0.000) 4.918 16.081 ( 6.152 0.000 0.000) 6.152 16.131 ( 2.085 0.000 0.000) 2.085 16.219 ( -2.307 0.000 0.000) 2.307 16.343 ( -0.519 0.000 0.000) 0.519 16.404 ( -5.463 0.000 0.000) 5.463 16.436 ( -4.577 0.000 0.000) 4.577 16.438 ( 0.843 0.000 0.000) 0.843 16.439 ( 5.591 0.000 0.000) 5.591 16.498 ( -2.853 0.000 0.000) 2.853 16.647 ( 1.854 0.000 0.000) 1.854 16.688 ( -1.313 0.000 0.000) 1.313 16.728 ( 5.383 0.000 0.000) 5.383 16.760 ( -2.881 0.000 0.000) 2.881 16.777 ( -1.398 0.000 0.000) 1.398 16.837 ( -5.620 0.000 0.000) 5.620 16.876 ( 4.506 0.000 0.000) 4.506 16.932 ( -1.536 0.000 0.000) 1.536 16.964 ( 0.931 0.000 0.000) 0.931 17.013 ( -11.009 0.000 0.000) 11.009 17.085 ( -5.623 0.000 0.000) 5.623 17.129 ( -4.761 0.000 0.000) 4.761 17.207 ( 5.935 0.000 0.000) 5.935 17.215 ( -8.561 0.000 0.000) 8.561 17.323 ( -1.152 0.000 0.000) 1.152 17.397 ( 2.960 0.000 0.000) 2.960 17.416 ( 1.347 0.000 0.000) 1.347 17.497 ( 5.045 0.000 0.000) 5.045 17.505 ( -1.656 0.000 0.000) 1.656 17.516 ( -1.039 0.000 0.000) 1.039 17.656 ( -2.510 0.000 0.000) 2.510 17.696 ( 3.287 0.000 0.000) 3.287 17.752 ( -1.555 0.000 0.000) 1.555 17.854 ( 2.755 0.000 0.000) 2.755 17.858 ( 7.718 0.000 0.000) 7.718 17.880 ( 7.894 0.000 0.000) 7.894 18.062 ( 3.537 0.000 0.000) 3.537 18.078 ( 9.397 0.000 0.000) 9.397 18.093 ( 3.367 0.000 0.000) 3.367 18.218 ( -8.722 0.000 0.000) 8.722 18.366 ( 5.812 0.000 0.000) 5.812 18.469 ( -1.337 0.000 0.000) 1.337 18.493 ( -0.514 0.000 0.000) 0.514 18.613 ( -13.323 0.000 0.000) 13.323 18.660 ( 9.266 0.000 0.000) 9.266 18.750 ( -10.620 0.000 0.000) 10.620 18.768 ( 9.907 0.000 0.000) 9.907 18.911 ( -1.839 0.000 0.000) 1.839 18.920 ( 4.080 0.000 0.000) 4.080 19.268 ( -1.446 0.000 0.000) 1.446 19.389 ( -5.039 0.000 0.000) 5.039 19.433 ( 4.111 0.000 0.000) 4.111 19.499 ( 4.055 0.000 0.000) 4.055 19.683 ( 10.015 0.000 0.000) 10.015 19.957 ( 10.268 0.000 0.000) 10.268 20.014 ( -6.265 0.000 0.000) 6.265 20.146 ( -1.009 0.000 0.000) 1.009 21.091 ( 6.566 0.000 0.000) 6.566 21.230 ( -1.134 0.000 0.000) 1.134 21.330 ( -2.244 0.000 0.000) 2.244 21.339 ( -5.147 0.000 0.000) 5.147 21.413 ( -9.762 0.000 0.000) 9.762 21.548 ( -11.369 0.000 0.000) 11.369 21.635 ( 4.569 0.000 0.000) 4.569 21.880 ( -7.359 0.000 0.000) 7.359 ======================= Grid point 3 (4/36) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -39.129 0.000 0.000) 39.129 2.377 ( 39.129 0.000 0.000) 39.129 2.414 ( -40.305 0.000 0.000) 40.305 2.414 ( 40.305 0.000 0.000) 40.305 3.743 ( -43.313 0.000 0.000) 43.313 3.743 ( 43.313 0.000 0.000) 43.313 3.981 ( -10.277 0.000 0.000) 10.277 3.981 ( 10.277 0.000 0.000) 10.277 4.081 ( -1.346 0.000 0.000) 1.346 4.081 ( 1.346 0.000 0.000) 1.346 4.150 ( -5.376 0.000 0.000) 5.376 4.150 ( 5.376 0.000 0.000) 5.376 4.193 ( -0.034 0.000 0.000) 0.034 4.193 ( 0.034 0.000 0.000) 0.034 4.546 ( -14.080 0.000 0.000) 14.080 4.546 ( 14.080 0.000 0.000) 14.080 4.629 ( -4.383 0.000 0.000) 4.383 4.629 ( 4.383 0.000 0.000) 4.383 4.704 ( -6.986 0.000 0.000) 6.986 4.704 ( 6.986 0.000 0.000) 6.986 4.764 ( -6.193 0.000 0.000) 6.193 4.764 ( 6.193 0.000 0.000) 6.193 4.915 ( -1.246 0.000 0.000) 1.246 4.915 ( 1.246 0.000 0.000) 1.246 5.905 ( -0.708 0.000 0.000) 0.708 5.905 ( 0.708 0.000 0.000) 0.708 6.020 ( -2.577 0.000 0.000) 2.577 6.020 ( 2.577 0.000 0.000) 2.577 6.496 ( -4.839 0.000 0.000) 4.839 6.496 ( 4.839 0.000 0.000) 4.839 6.623 ( -8.798 0.000 0.000) 8.798 6.623 ( 8.798 0.000 0.000) 8.798 6.702 ( -1.628 0.000 0.000) 1.628 6.702 ( 1.628 0.000 0.000) 1.628 6.874 ( -5.367 0.000 0.000) 5.367 6.874 ( 5.367 0.000 0.000) 5.367 7.005 ( -1.489 0.000 0.000) 1.489 7.005 ( 1.489 0.000 0.000) 1.489 7.099 ( -12.825 0.000 0.000) 12.825 7.099 ( 12.825 0.000 0.000) 12.825 7.261 ( -4.850 0.000 0.000) 4.850 7.261 ( 4.850 0.000 0.000) 4.850 7.598 ( -9.985 0.000 0.000) 9.985 7.598 ( 9.985 0.000 0.000) 9.985 7.672 ( -8.944 0.000 0.000) 8.944 7.672 ( 8.944 0.000 0.000) 8.944 7.763 ( -4.300 0.000 0.000) 4.300 7.763 ( 4.300 0.000 0.000) 4.300 7.834 ( -0.535 0.000 0.000) 0.535 7.834 ( 0.535 0.000 0.000) 0.535 8.001 ( -4.677 0.000 0.000) 4.677 8.001 ( 4.677 0.000 0.000) 4.677 8.154 ( -1.258 0.000 0.000) 1.258 8.154 ( 1.258 0.000 0.000) 1.258 8.386 ( -0.436 0.000 0.000) 0.436 8.386 ( 0.436 0.000 0.000) 0.436 8.459 ( -2.254 0.000 0.000) 2.254 8.459 ( 2.254 0.000 0.000) 2.254 8.715 ( -2.884 0.000 0.000) 2.884 8.715 ( 2.884 0.000 0.000) 2.884 8.759 ( -1.452 0.000 0.000) 1.452 8.759 ( 1.452 0.000 0.000) 1.452 8.790 ( -4.697 0.000 0.000) 4.697 8.790 ( 4.697 0.000 0.000) 4.697 9.095 ( -0.855 0.000 0.000) 0.855 9.095 ( 0.855 0.000 0.000) 0.855 9.207 ( -7.811 0.000 0.000) 7.811 9.207 ( 7.811 0.000 0.000) 7.811 9.246 ( -6.081 0.000 0.000) 6.081 9.246 ( 6.081 0.000 0.000) 6.081 9.284 ( -1.084 0.000 0.000) 1.084 9.284 ( 1.084 0.000 0.000) 1.084 9.432 ( -5.320 0.000 0.000) 5.320 9.432 ( 5.320 0.000 0.000) 5.320 9.481 ( -2.497 0.000 0.000) 2.497 9.481 ( 2.497 0.000 0.000) 2.497 9.558 ( -3.926 0.000 0.000) 3.926 9.558 ( 3.926 0.000 0.000) 3.926 9.621 ( -2.772 0.000 0.000) 2.772 9.621 ( 2.772 0.000 0.000) 2.772 9.733 ( -4.899 0.000 0.000) 4.899 9.733 ( 4.899 0.000 0.000) 4.899 9.879 ( -5.493 0.000 0.000) 5.493 9.879 ( 5.493 0.000 0.000) 5.493 10.002 ( -4.437 0.000 0.000) 4.437 10.002 ( 4.437 0.000 0.000) 4.437 10.217 ( -0.797 0.000 0.000) 0.797 10.217 ( 0.797 0.000 0.000) 0.797 10.358 ( -7.959 0.000 0.000) 7.959 10.358 ( 7.959 0.000 0.000) 7.959 10.436 ( -10.993 0.000 0.000) 10.993 10.436 ( 10.993 0.000 0.000) 10.993 10.599 ( -5.407 0.000 0.000) 5.407 10.599 ( 5.407 0.000 0.000) 5.407 10.682 ( -3.063 0.000 0.000) 3.063 10.682 ( 3.063 0.000 0.000) 3.063 10.840 ( -3.981 0.000 0.000) 3.981 10.840 ( 3.981 0.000 0.000) 3.981 10.894 ( -3.545 0.000 0.000) 3.545 10.894 ( 3.545 0.000 0.000) 3.545 10.930 ( -0.926 0.000 0.000) 0.926 10.930 ( 0.926 0.000 0.000) 0.926 11.015 ( -1.470 0.000 0.000) 1.470 11.015 ( 1.470 0.000 0.000) 1.470 11.069 ( -1.685 0.000 0.000) 1.685 11.069 ( 1.685 0.000 0.000) 1.685 11.415 ( -12.647 0.000 0.000) 12.647 11.415 ( 12.647 0.000 0.000) 12.647 11.437 ( -8.854 0.000 0.000) 8.854 11.437 ( 8.854 0.000 0.000) 8.854 11.569 ( -3.729 0.000 0.000) 3.729 11.569 ( 3.729 0.000 0.000) 3.729 11.641 ( -17.284 0.000 0.000) 17.284 11.641 ( 17.284 0.000 0.000) 17.284 11.764 ( -4.203 0.000 0.000) 4.203 11.764 ( 4.203 0.000 0.000) 4.203 11.860 ( -0.493 0.000 0.000) 0.493 11.860 ( 0.493 0.000 0.000) 0.493 12.055 ( -1.880 0.000 0.000) 1.880 12.055 ( 1.880 0.000 0.000) 1.880 12.071 ( -5.004 0.000 0.000) 5.004 12.071 ( 5.004 0.000 0.000) 5.004 12.470 ( -3.354 0.000 0.000) 3.354 12.470 ( 3.354 0.000 0.000) 3.354 12.564 ( -1.627 0.000 0.000) 1.627 12.564 ( 1.627 0.000 0.000) 1.627 12.596 ( -1.834 0.000 0.000) 1.834 12.596 ( 1.834 0.000 0.000) 1.834 12.745 ( -8.761 0.000 0.000) 8.761 12.745 ( 8.761 0.000 0.000) 8.761 12.794 ( -1.418 0.000 0.000) 1.418 12.794 ( 1.418 0.000 0.000) 1.418 12.855 ( -3.188 0.000 0.000) 3.188 12.855 ( 3.188 0.000 0.000) 3.188 12.860 ( -6.360 0.000 0.000) 6.360 12.860 ( 6.360 0.000 0.000) 6.360 13.037 ( -5.153 0.000 0.000) 5.153 13.037 ( 5.153 0.000 0.000) 5.153 13.223 ( -6.667 0.000 0.000) 6.667 13.223 ( 6.667 0.000 0.000) 6.667 13.266 ( -0.904 0.000 0.000) 0.904 13.266 ( 0.904 0.000 0.000) 0.904 13.497 ( -1.773 0.000 0.000) 1.773 13.497 ( 1.773 0.000 0.000) 1.773 13.735 ( -2.971 0.000 0.000) 2.971 13.735 ( 2.971 0.000 0.000) 2.971 13.741 ( -4.638 0.000 0.000) 4.638 13.741 ( 4.638 0.000 0.000) 4.638 13.797 ( -6.243 0.000 0.000) 6.243 13.797 ( 6.243 0.000 0.000) 6.243 13.863 ( -0.881 0.000 0.000) 0.881 13.863 ( 0.881 0.000 0.000) 0.881 14.134 ( -3.869 0.000 0.000) 3.869 14.134 ( 3.869 0.000 0.000) 3.869 14.135 ( -7.772 0.000 0.000) 7.772 14.135 ( 7.772 0.000 0.000) 7.772 14.429 ( -1.560 0.000 0.000) 1.560 14.429 ( 1.560 0.000 0.000) 1.560 14.717 ( -1.025 0.000 0.000) 1.025 14.717 ( 1.025 0.000 0.000) 1.025 14.849 ( -2.425 0.000 0.000) 2.425 14.849 ( 2.425 0.000 0.000) 2.425 15.027 ( -0.507 0.000 0.000) 0.507 15.027 ( 0.507 0.000 0.000) 0.507 15.102 ( -0.709 0.000 0.000) 0.709 15.102 ( 0.709 0.000 0.000) 0.709 15.432 ( -0.909 0.000 0.000) 0.909 15.432 ( 0.909 0.000 0.000) 0.909 15.723 ( -0.670 0.000 0.000) 0.670 15.723 ( 0.670 0.000 0.000) 0.670 15.752 ( -1.995 0.000 0.000) 1.995 15.752 ( 1.995 0.000 0.000) 1.995 15.903 ( -6.225 0.000 0.000) 6.225 15.903 ( 6.225 0.000 0.000) 6.225 15.980 ( -2.983 0.000 0.000) 2.983 15.980 ( 2.983 0.000 0.000) 2.983 16.170 ( -3.325 0.000 0.000) 3.325 16.170 ( 3.325 0.000 0.000) 3.325 16.215 ( -9.636 0.000 0.000) 9.636 16.215 ( 9.636 0.000 0.000) 9.636 16.358 ( -3.118 0.000 0.000) 3.118 16.358 ( 3.118 0.000 0.000) 3.118 16.481 ( -2.261 0.000 0.000) 2.261 16.481 ( 2.261 0.000 0.000) 2.261 16.594 ( -8.654 0.000 0.000) 8.654 16.594 ( 8.654 0.000 0.000) 8.654 16.712 ( -5.617 0.000 0.000) 5.617 16.712 ( 5.617 0.000 0.000) 5.617 16.744 ( -1.202 0.000 0.000) 1.202 16.744 ( 1.202 0.000 0.000) 1.202 16.833 ( -6.071 0.000 0.000) 6.071 16.833 ( 6.071 0.000 0.000) 6.071 16.977 ( -5.976 0.000 0.000) 5.976 16.977 ( 5.976 0.000 0.000) 5.976 16.979 ( -1.044 0.000 0.000) 1.044 16.979 ( 1.044 0.000 0.000) 1.044 17.092 ( -2.930 0.000 0.000) 2.930 17.092 ( 2.930 0.000 0.000) 2.930 17.291 ( -2.846 0.000 0.000) 2.846 17.291 ( 2.846 0.000 0.000) 2.846 17.428 ( -0.385 0.000 0.000) 0.385 17.428 ( 0.385 0.000 0.000) 0.385 17.494 ( -0.694 0.000 0.000) 0.694 17.494 ( 0.694 0.000 0.000) 0.694 17.589 ( -4.619 0.000 0.000) 4.619 17.589 ( 4.619 0.000 0.000) 4.619 17.730 ( -1.086 0.000 0.000) 1.086 17.730 ( 1.086 0.000 0.000) 1.086 17.898 ( -1.356 0.000 0.000) 1.356 17.898 ( 1.356 0.000 0.000) 1.356 18.049 ( -9.518 0.000 0.000) 9.518 18.049 ( 9.518 0.000 0.000) 9.518 18.108 ( -1.211 0.000 0.000) 1.211 18.108 ( 1.211 0.000 0.000) 1.211 18.334 ( -15.865 0.000 0.000) 15.865 18.334 ( 15.865 0.000 0.000) 15.865 18.468 ( -1.138 0.000 0.000) 1.138 18.468 ( 1.138 0.000 0.000) 1.138 18.537 ( -11.438 0.000 0.000) 11.438 18.537 ( 11.438 0.000 0.000) 11.438 18.824 ( -7.244 0.000 0.000) 7.244 18.824 ( 7.244 0.000 0.000) 7.244 18.917 ( -5.122 0.000 0.000) 5.122 18.917 ( 5.122 0.000 0.000) 5.122 19.294 ( -4.333 0.000 0.000) 4.333 19.294 ( 4.333 0.000 0.000) 4.333 19.509 ( -2.781 0.000 0.000) 2.781 19.509 ( 2.781 0.000 0.000) 2.781 19.868 ( -9.430 0.000 0.000) 9.430 19.868 ( 9.430 0.000 0.000) 9.430 20.099 ( -4.769 0.000 0.000) 4.769 20.099 ( 4.769 0.000 0.000) 4.769 21.240 ( -8.935 0.000 0.000) 8.935 21.240 ( 8.935 0.000 0.000) 8.935 21.253 ( -3.535 0.000 0.000) 3.535 21.253 ( 3.535 0.000 0.000) 3.535 21.364 ( -6.750 0.000 0.000) 6.750 21.364 ( 6.750 0.000 0.000) 6.750 21.743 ( -7.012 0.000 0.000) 7.012 21.743 ( 7.012 0.000 0.000) 7.012 ======================= Grid point 7 (5/36) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 0.000 43.351 0.000) 43.351 0.990 ( 0.000 44.629 0.000) 44.629 1.550 ( 0.000 68.936 0.000) 68.936 3.407 ( 0.000 -27.562 0.000) 27.562 3.442 ( 0.000 -16.915 0.000) 16.915 3.690 ( 0.000 -1.331 0.000) 1.331 3.929 ( 0.000 5.894 0.000) 5.894 4.022 ( 0.000 3.118 0.000) 3.118 4.052 ( 0.000 1.508 0.000) 1.508 4.191 ( 0.000 1.098 0.000) 1.098 4.284 ( 0.000 -4.369 0.000) 4.369 4.331 ( 0.000 9.630 0.000) 9.630 4.372 ( 0.000 -7.559 0.000) 7.559 4.379 ( 0.000 2.883 0.000) 2.883 4.439 ( 0.000 1.783 0.000) 1.783 4.477 ( 0.000 1.336 0.000) 1.336 4.526 ( 0.000 -1.665 0.000) 1.665 4.607 ( 0.000 6.263 0.000) 6.263 4.717 ( 0.000 -11.195 0.000) 11.195 4.788 ( 0.000 -8.490 0.000) 8.490 4.825 ( 0.000 4.260 0.000) 4.260 4.843 ( 0.000 -3.021 0.000) 3.021 5.021 ( 0.000 2.330 0.000) 2.330 5.057 ( 0.000 -4.063 0.000) 4.063 5.827 ( 0.000 4.535 0.000) 4.535 5.842 ( 0.000 4.591 0.000) 4.591 5.923 ( 0.000 2.758 0.000) 2.758 6.050 ( 0.000 2.274 0.000) 2.274 6.241 ( 0.000 10.513 0.000) 10.513 6.424 ( 0.000 -0.209 0.000) 0.209 6.501 ( 0.000 -0.564 0.000) 0.564 6.518 ( 0.000 -6.159 0.000) 6.159 6.657 ( 0.000 -5.473 0.000) 5.473 6.679 ( 0.000 8.757 0.000) 8.757 6.767 ( 0.000 8.956 0.000) 8.956 6.834 ( 0.000 -6.464 0.000) 6.464 6.930 ( 0.000 -0.328 0.000) 0.328 7.153 ( 0.000 12.580 0.000) 12.580 7.163 ( 0.000 -2.111 0.000) 2.111 7.184 ( 0.000 -14.261 0.000) 14.261 7.187 ( 0.000 -8.383 0.000) 8.383 7.209 ( 0.000 -8.567 0.000) 8.567 7.403 ( 0.000 -2.737 0.000) 2.737 7.602 ( 0.000 -5.434 0.000) 5.434 7.682 ( 0.000 -0.500 0.000) 0.500 7.719 ( 0.000 -2.332 0.000) 2.332 7.745 ( 0.000 -0.777 0.000) 0.777 7.803 ( 0.000 11.942 0.000) 11.942 8.060 ( 0.000 -13.285 0.000) 13.285 8.114 ( 0.000 14.565 0.000) 14.565 8.117 ( 0.000 10.124 0.000) 10.124 8.125 ( 0.000 -4.483 0.000) 4.483 8.277 ( 0.000 4.115 0.000) 4.115 8.396 ( 0.000 0.476 0.000) 0.476 8.408 ( 0.000 0.066 0.000) 0.066 8.426 ( 0.000 -9.579 0.000) 9.579 8.434 ( 0.000 -1.416 0.000) 1.416 8.496 ( 0.000 0.427 0.000) 0.427 8.714 ( 0.000 0.594 0.000) 0.594 8.726 ( 0.000 0.698 0.000) 0.698 8.787 ( 0.000 -0.077 0.000) 0.077 8.836 ( 0.000 -2.272 0.000) 2.272 8.837 ( 0.000 -0.522 0.000) 0.522 8.953 ( 0.000 -4.932 0.000) 4.932 8.955 ( 0.000 -0.979 0.000) 0.979 9.023 ( 0.000 0.512 0.000) 0.512 9.091 ( 0.000 -1.744 0.000) 1.744 9.107 ( 0.000 3.195 0.000) 3.195 9.116 ( 0.000 -9.877 0.000) 9.877 9.169 ( 0.000 -0.375 0.000) 0.375 9.216 ( 0.000 1.865 0.000) 1.865 9.259 ( 0.000 3.138 0.000) 3.138 9.396 ( 0.000 6.162 0.000) 6.162 9.426 ( 0.000 0.024 0.000) 0.024 9.458 ( 0.000 3.847 0.000) 3.847 9.464 ( 0.000 0.100 0.000) 0.100 9.502 ( 0.000 -6.274 0.000) 6.274 9.510 ( 0.000 -3.509 0.000) 3.509 9.568 ( 0.000 1.841 0.000) 1.841 9.599 ( 0.000 2.048 0.000) 2.048 9.695 ( 0.000 4.237 0.000) 4.237 9.843 ( 0.000 4.309 0.000) 4.309 9.879 ( 0.000 -0.255 0.000) 0.255 9.950 ( 0.000 -3.511 0.000) 3.511 10.005 ( 0.000 6.278 0.000) 6.278 10.168 ( 0.000 7.023 0.000) 7.023 10.191 ( 0.000 9.070 0.000) 9.070 10.238 ( 0.000 1.255 0.000) 1.255 10.252 ( 0.000 -16.985 0.000) 16.985 10.317 ( 0.000 -5.345 0.000) 5.345 10.322 ( 0.000 -1.096 0.000) 1.096 10.323 ( 0.000 4.003 0.000) 4.003 10.395 ( 0.000 -3.339 0.000) 3.339 10.481 ( 0.000 -3.959 0.000) 3.959 10.535 ( 0.000 -0.164 0.000) 0.164 10.538 ( 0.000 -10.659 0.000) 10.659 10.634 ( 0.000 -6.946 0.000) 6.946 10.667 ( 0.000 -2.764 0.000) 2.764 10.699 ( 0.000 -15.213 0.000) 15.213 10.907 ( 0.000 7.551 0.000) 7.551 11.067 ( 0.000 1.805 0.000) 1.805 11.093 ( 0.000 9.203 0.000) 9.203 11.146 ( 0.000 -3.595 0.000) 3.595 11.150 ( 0.000 3.919 0.000) 3.919 11.153 ( 0.000 5.693 0.000) 5.693 11.284 ( 0.000 12.695 0.000) 12.695 11.343 ( 0.000 7.922 0.000) 7.922 11.432 ( 0.000 4.220 0.000) 4.220 11.565 ( 0.000 14.611 0.000) 14.611 11.614 ( 0.000 -0.900 0.000) 0.900 11.618 ( 0.000 -4.785 0.000) 4.785 11.675 ( 0.000 -3.456 0.000) 3.456 11.711 ( 0.000 -3.794 0.000) 3.794 11.760 ( 0.000 2.865 0.000) 2.865 11.815 ( 0.000 0.885 0.000) 0.885 11.915 ( 0.000 4.459 0.000) 4.459 11.950 ( 0.000 8.878 0.000) 8.878 12.022 ( 0.000 -7.191 0.000) 7.191 12.150 ( 0.000 -1.529 0.000) 1.529 12.182 ( 0.000 0.807 0.000) 0.807 12.213 ( 0.000 -6.491 0.000) 6.491 12.256 ( 0.000 1.678 0.000) 1.678 12.339 ( 0.000 0.217 0.000) 0.217 12.437 ( 0.000 -3.763 0.000) 3.763 12.523 ( 0.000 -2.460 0.000) 2.460 12.528 ( 0.000 -0.243 0.000) 0.243 12.618 ( 0.000 1.768 0.000) 1.768 12.625 ( 0.000 -6.114 0.000) 6.114 12.642 ( 0.000 -1.406 0.000) 1.406 12.718 ( 0.000 4.674 0.000) 4.674 12.753 ( 0.000 2.219 0.000) 2.219 12.793 ( 0.000 -3.389 0.000) 3.389 12.810 ( 0.000 0.017 0.000) 0.017 12.863 ( 0.000 3.732 0.000) 3.732 12.890 ( 0.000 5.761 0.000) 5.761 12.996 ( 0.000 0.326 0.000) 0.326 13.059 ( 0.000 1.030 0.000) 1.030 13.084 ( 0.000 -0.207 0.000) 0.207 13.100 ( 0.000 -4.518 0.000) 4.518 13.218 ( 0.000 3.104 0.000) 3.104 13.226 ( 0.000 -8.727 0.000) 8.727 13.353 ( 0.000 -2.851 0.000) 2.851 13.421 ( 0.000 -3.795 0.000) 3.795 13.507 ( 0.000 -2.883 0.000) 2.883 13.663 ( 0.000 6.531 0.000) 6.531 13.682 ( 0.000 -1.782 0.000) 1.782 13.718 ( 0.000 -7.717 0.000) 7.717 13.744 ( 0.000 -3.914 0.000) 3.914 13.805 ( 0.000 6.432 0.000) 6.432 13.850 ( 0.000 1.960 0.000) 1.960 13.916 ( 0.000 -2.671 0.000) 2.671 14.000 ( 0.000 0.696 0.000) 0.696 14.027 ( 0.000 -5.693 0.000) 5.693 14.242 ( 0.000 -3.992 0.000) 3.992 14.295 ( 0.000 -8.509 0.000) 8.509 14.343 ( 0.000 4.770 0.000) 4.770 14.469 ( 0.000 -0.326 0.000) 0.326 14.489 ( 0.000 0.351 0.000) 0.351 14.564 ( 0.000 -3.319 0.000) 3.319 14.649 ( 0.000 3.865 0.000) 3.865 14.684 ( 0.000 7.551 0.000) 7.551 14.813 ( 0.000 1.916 0.000) 1.916 14.853 ( 0.000 -12.345 0.000) 12.345 14.917 ( 0.000 -3.977 0.000) 3.977 15.050 ( 0.000 5.887 0.000) 5.887 15.168 ( 0.000 2.788 0.000) 2.788 15.222 ( 0.000 11.671 0.000) 11.671 15.348 ( 0.000 2.044 0.000) 2.044 15.450 ( 0.000 -1.792 0.000) 1.792 15.490 ( 0.000 -4.155 0.000) 4.155 15.530 ( 0.000 1.703 0.000) 1.703 15.614 ( 0.000 -1.849 0.000) 1.849 15.615 ( 0.000 -1.574 0.000) 1.574 15.718 ( 0.000 -3.727 0.000) 3.727 15.834 ( 0.000 -4.508 0.000) 4.508 15.894 ( 0.000 3.072 0.000) 3.072 16.016 ( 0.000 -11.443 0.000) 11.443 16.051 ( 0.000 -2.248 0.000) 2.248 16.293 ( 0.000 2.752 0.000) 2.752 16.377 ( 0.000 5.737 0.000) 5.737 16.394 ( 0.000 1.173 0.000) 1.173 16.395 ( 0.000 5.861 0.000) 5.861 16.462 ( 0.000 -2.753 0.000) 2.753 16.478 ( 0.000 -3.937 0.000) 3.937 16.649 ( 0.000 1.226 0.000) 1.226 16.666 ( 0.000 -4.360 0.000) 4.360 16.715 ( 0.000 -0.327 0.000) 0.327 16.770 ( 0.000 5.393 0.000) 5.393 16.798 ( 0.000 -0.911 0.000) 0.911 16.841 ( 0.000 3.730 0.000) 3.730 16.846 ( 0.000 0.426 0.000) 0.426 16.937 ( 0.000 -0.305 0.000) 0.305 17.019 ( 0.000 2.820 0.000) 2.820 17.099 ( 0.000 2.314 0.000) 2.314 17.100 ( 0.000 2.987 0.000) 2.987 17.173 ( 0.000 7.513 0.000) 7.513 17.247 ( 0.000 1.309 0.000) 1.309 17.258 ( 0.000 -6.416 0.000) 6.416 17.272 ( 0.000 -2.038 0.000) 2.038 17.331 ( 0.000 -0.115 0.000) 0.115 17.375 ( 0.000 0.995 0.000) 0.995 17.391 ( 0.000 6.055 0.000) 6.055 17.449 ( 0.000 3.955 0.000) 3.955 17.463 ( 0.000 1.101 0.000) 1.101 17.511 ( 0.000 -1.252 0.000) 1.252 17.591 ( 0.000 1.755 0.000) 1.755 17.613 ( 0.000 3.866 0.000) 3.866 17.796 ( 0.000 -2.835 0.000) 2.835 17.824 ( 0.000 4.460 0.000) 4.460 17.851 ( 0.000 7.171 0.000) 7.171 17.904 ( 0.000 -5.642 0.000) 5.642 17.913 ( 0.000 -2.436 0.000) 2.436 18.071 ( 0.000 7.620 0.000) 7.620 18.097 ( 0.000 -6.689 0.000) 6.689 18.315 ( 0.000 1.014 0.000) 1.014 18.332 ( 0.000 -7.046 0.000) 7.046 18.391 ( 0.000 -2.678 0.000) 2.678 18.515 ( 0.000 -5.764 0.000) 5.764 18.616 ( 0.000 0.017 0.000) 0.017 18.649 ( 0.000 0.271 0.000) 0.271 18.697 ( 0.000 8.487 0.000) 8.487 18.795 ( 0.000 -8.361 0.000) 8.361 18.917 ( 0.000 4.348 0.000) 4.348 19.017 ( 0.000 -5.271 0.000) 5.271 19.311 ( 0.000 -0.107 0.000) 0.107 19.376 ( 0.000 -0.558 0.000) 0.558 19.475 ( 0.000 2.042 0.000) 2.042 19.551 ( 0.000 1.921 0.000) 1.921 19.687 ( 0.000 14.334 0.000) 14.334 19.746 ( 0.000 7.839 0.000) 7.839 20.112 ( 0.000 -0.994 0.000) 0.994 20.139 ( 0.000 -1.641 0.000) 1.641 20.997 ( 0.000 1.417 0.000) 1.417 21.345 ( 0.000 -0.820 0.000) 0.820 21.367 ( 0.000 -6.045 0.000) 6.045 21.398 ( 0.000 -4.377 0.000) 4.377 21.426 ( 0.000 -3.965 0.000) 3.965 21.485 ( 0.000 -5.920 0.000) 5.920 21.808 ( 0.000 0.579 0.000) 0.579 22.050 ( 0.000 -4.264 0.000) 4.264 ======================= Grid point 8 (6/36) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 28.516 32.814 0.000) 43.473 1.406 ( 31.817 34.912 0.000) 47.235 1.966 ( 44.012 48.428 0.000) 65.440 3.449 ( 2.931 -23.732 0.000) 23.913 3.533 ( 7.413 -9.111 0.000) 11.746 3.584 ( -11.685 -4.308 0.000) 12.453 3.837 ( -19.696 3.911 0.000) 20.080 3.962 ( -3.126 0.066 0.000) 3.127 3.985 ( 4.176 6.137 0.000) 7.423 4.158 ( -3.321 0.039 0.000) 3.321 4.216 ( -2.859 0.265 0.000) 2.872 4.295 ( -5.375 1.840 0.000) 5.682 4.335 ( -6.447 -1.086 0.000) 6.538 4.351 ( 0.330 -7.906 0.000) 7.913 4.386 ( -5.599 2.340 0.000) 6.068 4.421 ( 1.287 -2.434 0.000) 2.753 4.597 ( 3.012 -5.835 0.000) 6.567 4.681 ( 4.827 5.392 0.000) 7.237 4.733 ( -1.324 -12.687 0.000) 12.756 4.843 ( 0.450 -3.656 0.000) 3.683 4.854 ( -0.479 2.877 0.000) 2.916 4.856 ( 6.756 0.412 0.000) 6.769 4.941 ( -4.090 4.477 0.000) 6.064 5.041 ( -4.354 -2.305 0.000) 4.926 5.841 ( 2.542 3.571 0.000) 4.383 5.944 ( 7.339 4.669 0.000) 8.699 5.965 ( 3.853 2.260 0.000) 4.467 6.005 ( -3.302 3.657 0.000) 4.927 6.277 ( 4.006 8.007 0.000) 8.953 6.498 ( 0.908 2.548 0.000) 2.705 6.507 ( 3.805 -0.944 0.000) 3.921 6.578 ( 5.395 -7.023 0.000) 8.855 6.587 ( 2.089 -0.729 0.000) 2.212 6.735 ( -2.319 6.442 0.000) 6.847 6.804 ( -2.309 -4.993 0.000) 5.501 6.843 ( 5.019 -2.583 0.000) 5.644 7.024 ( 1.309 -2.013 0.000) 2.401 7.056 ( 2.195 4.005 0.000) 4.567 7.103 ( -2.171 -6.584 0.000) 6.933 7.181 ( 1.945 -1.571 0.000) 2.501 7.261 ( 1.490 -8.622 0.000) 8.750 7.319 ( 8.001 6.036 0.000) 10.022 7.338 ( -3.928 -3.616 0.000) 5.339 7.565 ( -2.969 -4.458 0.000) 5.356 7.621 ( -7.670 0.845 0.000) 7.717 7.683 ( -1.310 2.356 0.000) 2.696 7.733 ( -4.402 5.562 0.000) 7.093 7.797 ( 1.436 -2.697 0.000) 3.055 7.989 ( -5.513 -1.340 0.000) 5.673 8.088 ( -2.697 9.821 0.000) 10.184 8.110 ( 0.137 -4.482 0.000) 4.484 8.116 ( -0.741 1.526 0.000) 1.696 8.304 ( -4.090 0.930 0.000) 4.195 8.310 ( -2.615 -1.994 0.000) 3.288 8.359 ( 0.355 4.746 0.000) 4.760 8.430 ( 0.723 -10.213 0.000) 10.239 8.515 ( 2.800 0.845 0.000) 2.925 8.537 ( -3.063 4.292 0.000) 5.273 8.677 ( -2.178 0.980 0.000) 2.388 8.682 ( 0.423 -1.045 0.000) 1.127 8.781 ( 1.370 -0.743 0.000) 1.559 8.830 ( -7.299 -0.016 0.000) 7.299 8.851 ( -4.578 -2.356 0.000) 5.148 8.892 ( 3.290 0.543 0.000) 3.335 8.953 ( 1.164 -2.435 0.000) 2.699 8.984 ( -0.153 -1.430 0.000) 1.438 9.092 ( 0.058 1.333 0.000) 1.334 9.149 ( 1.987 2.280 0.000) 3.024 9.216 ( 7.141 -7.936 0.000) 10.676 9.227 ( 5.766 -3.370 0.000) 6.679 9.239 ( 3.714 1.565 0.000) 4.030 9.315 ( 2.999 2.619 0.000) 3.982 9.328 ( -5.759 2.715 0.000) 6.367 9.422 ( -1.773 -0.990 0.000) 2.030 9.438 ( -3.824 -4.720 0.000) 6.075 9.446 ( 1.828 -0.176 0.000) 1.836 9.496 ( 0.170 -0.190 0.000) 0.255 9.545 ( 5.226 1.095 0.000) 5.339 9.576 ( 0.586 1.967 0.000) 2.052 9.656 ( 1.810 1.804 0.000) 2.555 9.747 ( 2.380 3.205 0.000) 3.992 9.764 ( -3.431 0.661 0.000) 3.494 9.867 ( 1.217 0.051 0.000) 1.218 9.961 ( -4.769 3.131 0.000) 5.705 10.029 ( 0.883 4.727 0.000) 4.809 10.070 ( 3.723 0.870 0.000) 3.824 10.136 ( -6.323 6.463 0.000) 9.041 10.159 ( -7.092 0.969 0.000) 7.158 10.242 ( -1.922 -4.711 0.000) 5.088 10.361 ( 4.066 -6.131 0.000) 7.357 10.366 ( -0.278 -2.684 0.000) 2.699 10.382 ( 7.278 1.445 0.000) 7.420 10.491 ( 7.668 -4.335 0.000) 8.809 10.524 ( -0.214 -6.927 0.000) 6.930 10.531 ( 4.104 -7.655 0.000) 8.685 10.659 ( 3.772 -6.611 0.000) 7.612 10.663 ( 10.287 -5.313 0.000) 11.577 10.786 ( 10.787 -5.960 0.000) 12.324 10.797 ( 6.492 -6.516 0.000) 9.198 10.850 ( -4.900 6.257 0.000) 7.947 10.991 ( -8.315 3.780 0.000) 9.134 11.043 ( -7.552 4.803 0.000) 8.950 11.081 ( -2.769 8.236 0.000) 8.688 11.121 ( -0.884 -0.119 0.000) 0.892 11.162 ( -1.769 -0.689 0.000) 1.899 11.230 ( -2.037 10.086 0.000) 10.290 11.291 ( -4.720 2.611 0.000) 5.395 11.417 ( -0.836 8.372 0.000) 8.413 11.442 ( -9.410 12.189 0.000) 15.399 11.551 ( -8.965 -0.097 0.000) 8.966 11.649 ( 1.543 -5.235 0.000) 5.458 11.653 ( -2.920 -2.047 0.000) 3.566 11.712 ( 5.759 0.248 0.000) 5.764 11.771 ( -1.063 2.048 0.000) 2.307 11.801 ( -6.916 7.969 0.000) 10.552 11.882 ( 3.725 0.493 0.000) 3.757 11.922 ( -1.956 6.118 0.000) 6.423 11.987 ( -4.297 -5.474 0.000) 6.959 12.113 ( -5.315 0.661 0.000) 5.356 12.167 ( -1.622 1.210 0.000) 2.024 12.236 ( -2.175 2.497 0.000) 3.311 12.243 ( 6.518 -5.456 0.000) 8.500 12.262 ( -3.970 1.229 0.000) 4.156 12.451 ( 1.125 -3.901 0.000) 4.060 12.536 ( -1.058 -1.455 0.000) 1.799 12.558 ( -5.116 -1.788 0.000) 5.419 12.566 ( 1.106 -2.886 0.000) 3.090 12.645 ( 3.069 0.726 0.000) 3.154 12.679 ( 0.132 -4.455 0.000) 4.457 12.737 ( -2.583 3.012 0.000) 3.968 12.754 ( 0.025 2.101 0.000) 2.101 12.759 ( 2.111 4.718 0.000) 5.168 12.764 ( -0.686 1.523 0.000) 1.670 12.871 ( 3.232 2.962 0.000) 4.384 12.926 ( 3.112 0.285 0.000) 3.125 13.020 ( -3.261 -2.204 0.000) 3.936 13.023 ( -3.147 0.519 0.000) 3.190 13.043 ( -3.766 0.187 0.000) 3.771 13.145 ( 5.615 -4.931 0.000) 7.472 13.230 ( -0.122 -4.134 0.000) 4.136 13.331 ( 7.316 0.473 0.000) 7.331 13.352 ( -0.298 -1.847 0.000) 1.871 13.378 ( -4.229 -1.659 0.000) 4.543 13.479 ( -2.625 -4.391 0.000) 5.115 13.629 ( 0.632 0.863 0.000) 1.070 13.656 ( -0.394 -0.754 0.000) 0.850 13.755 ( 1.519 6.740 0.000) 6.909 13.784 ( 2.683 -2.228 0.000) 3.487 13.810 ( -2.250 -2.192 0.000) 3.141 13.843 ( 0.416 0.575 0.000) 0.710 13.880 ( -2.646 -1.660 0.000) 3.123 13.984 ( -0.915 -1.016 0.000) 1.367 14.039 ( 1.115 -3.697 0.000) 3.862 14.203 ( -4.334 0.954 0.000) 4.438 14.322 ( -3.642 -0.555 0.000) 3.684 14.333 ( -1.660 3.050 0.000) 3.472 14.486 ( 2.578 -8.626 0.000) 9.002 14.496 ( 1.653 -3.035 0.000) 3.456 14.587 ( -2.055 1.841 0.000) 2.759 14.634 ( -1.561 8.714 0.000) 8.853 14.702 ( 7.879 1.112 0.000) 7.957 14.858 ( 2.419 -7.316 0.000) 7.706 14.927 ( 1.280 -4.536 0.000) 4.713 14.968 ( 0.842 -0.584 0.000) 1.025 15.139 ( -3.978 8.546 0.000) 9.426 15.173 ( 1.166 3.909 0.000) 4.079 15.269 ( 20.052 -20.814 0.000) 28.901 15.436 ( -1.038 -1.800 0.000) 2.078 15.456 ( 5.379 2.037 0.000) 5.751 15.534 ( 4.505 -4.605 0.000) 6.442 15.587 ( 5.538 2.178 0.000) 5.951 15.649 ( 3.865 -1.731 0.000) 4.235 15.674 ( 7.021 0.946 0.000) 7.085 15.739 ( 2.234 -4.670 0.000) 5.177 15.825 ( -4.878 0.109 0.000) 4.879 15.866 ( 2.171 -5.107 0.000) 5.549 16.015 ( -0.224 -9.129 0.000) 9.132 16.107 ( 5.183 -1.442 0.000) 5.380 16.276 ( -2.004 2.240 0.000) 3.005 16.369 ( -1.904 6.385 0.000) 6.663 16.371 ( -0.594 2.807 0.000) 2.870 16.402 ( -0.123 0.590 0.000) 0.602 16.446 ( -0.493 -0.488 0.000) 0.694 16.493 ( 0.564 -5.990 0.000) 6.016 16.637 ( 0.748 1.641 0.000) 1.804 16.661 ( -6.071 -0.999 0.000) 6.153 16.712 ( 3.336 -3.191 0.000) 4.616 16.744 ( -2.206 4.527 0.000) 5.035 16.779 ( -4.971 7.120 0.000) 8.684 16.801 ( -3.964 0.093 0.000) 3.965 16.837 ( 3.554 1.193 0.000) 3.749 16.922 ( -1.332 -0.182 0.000) 1.345 17.017 ( -0.144 2.370 0.000) 2.374 17.039 ( -1.625 1.589 0.000) 2.273 17.160 ( 1.959 5.725 0.000) 6.051 17.175 ( -2.996 4.377 0.000) 5.304 17.255 ( -4.840 -2.013 0.000) 5.242 17.292 ( 3.491 -0.314 0.000) 3.505 17.302 ( 4.048 -4.066 0.000) 5.738 17.329 ( -2.300 2.450 0.000) 3.360 17.331 ( 0.120 -0.323 0.000) 0.345 17.371 ( 0.908 1.899 0.000) 2.104 17.415 ( -3.269 3.159 0.000) 4.547 17.529 ( 5.190 -0.593 0.000) 5.223 17.556 ( 0.928 1.395 0.000) 1.675 17.605 ( 6.909 0.585 0.000) 6.933 17.633 ( 1.667 4.562 0.000) 4.857 17.807 ( -2.122 3.159 0.000) 3.806 17.816 ( 1.887 -0.891 0.000) 2.087 17.888 ( 2.599 5.654 0.000) 6.223 17.930 ( 2.654 -4.795 0.000) 5.481 17.961 ( 1.811 -0.491 0.000) 1.877 18.055 ( -9.307 2.228 0.000) 9.570 18.073 ( 0.778 5.057 0.000) 5.117 18.198 ( -0.868 -1.013 0.000) 1.334 18.303 ( -3.637 -5.337 0.000) 6.458 18.460 ( 2.645 -4.813 0.000) 5.492 18.526 ( -0.316 -3.207 0.000) 3.223 18.544 ( -5.343 3.159 0.000) 6.207 18.559 ( 6.293 -0.195 0.000) 6.296 18.822 ( 5.479 1.733 0.000) 5.747 18.844 ( -1.436 -1.771 0.000) 2.280 18.859 ( -3.341 1.199 0.000) 3.550 19.045 ( 1.643 4.777 0.000) 5.051 19.299 ( -0.910 -1.086 0.000) 1.416 19.371 ( -0.156 -1.240 0.000) 1.250 19.463 ( -2.117 6.637 0.000) 6.966 19.539 ( 4.765 2.312 0.000) 5.296 19.668 ( -1.670 12.438 0.000) 12.549 19.820 ( 7.337 5.448 0.000) 9.138 20.093 ( -2.107 -0.421 0.000) 2.148 20.127 ( -0.701 -2.265 0.000) 2.371 21.016 ( 2.191 1.017 0.000) 2.415 21.279 ( -4.535 -0.127 0.000) 4.536 21.330 ( -3.396 -5.497 0.000) 6.462 21.376 ( -2.536 -3.837 0.000) 4.600 21.449 ( -1.265 -7.172 0.000) 7.283 21.493 ( 1.011 -6.792 0.000) 6.867 21.729 ( -8.111 0.094 0.000) 8.111 21.934 ( -9.443 -4.370 0.000) 10.405 ======================= Grid point 9 (7/36) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 36.239 21.520 0.000) 42.147 2.007 ( 33.686 27.410 0.000) 43.429 2.934 ( 53.862 22.906 0.000) 58.531 3.166 ( -28.353 9.940 0.000) 30.045 3.229 ( -28.394 8.109 0.000) 29.529 3.692 ( 5.994 -17.087 0.000) 18.108 3.744 ( 11.327 -11.312 0.000) 16.008 3.955 ( 2.314 -4.948 0.000) 5.462 4.050 ( 0.810 -1.351 0.000) 1.576 4.069 ( -5.564 -5.128 0.000) 7.566 4.157 ( -4.442 -1.509 0.000) 4.691 4.234 ( -1.401 -1.887 0.000) 2.350 4.279 ( 1.980 0.455 0.000) 2.032 4.283 ( -4.539 0.767 0.000) 4.604 4.383 ( 2.381 -8.937 0.000) 9.249 4.405 ( -3.681 -5.291 0.000) 6.445 4.562 ( -5.350 -11.782 0.000) 12.939 4.655 ( -19.118 5.046 0.000) 19.773 4.719 ( -1.005 -7.690 0.000) 7.755 4.765 ( 4.032 5.286 0.000) 6.648 4.844 ( 0.225 1.500 0.000) 1.517 4.850 ( -10.493 -0.492 0.000) 10.505 4.973 ( 4.808 2.843 0.000) 5.586 4.997 ( 2.615 5.514 0.000) 6.103 5.904 ( 3.527 2.584 0.000) 4.373 5.960 ( -1.408 4.136 0.000) 4.369 6.032 ( 2.409 4.867 0.000) 5.431 6.037 ( 3.179 1.714 0.000) 3.612 6.367 ( 5.022 -0.032 0.000) 5.022 6.504 ( -0.916 -0.301 0.000) 0.964 6.538 ( 1.247 0.768 0.000) 1.464 6.615 ( -4.822 -7.068 0.000) 8.556 6.684 ( 4.741 -5.524 0.000) 7.280 6.725 ( 3.200 4.364 0.000) 5.412 6.819 ( -4.389 -2.157 0.000) 4.890 6.877 ( 11.806 -0.154 0.000) 11.807 6.989 ( 4.342 7.508 0.000) 8.673 7.062 ( -10.006 0.245 0.000) 10.009 7.157 ( 0.547 1.322 0.000) 1.431 7.205 ( 1.684 4.924 0.000) 5.204 7.288 ( 12.403 -0.435 0.000) 12.410 7.362 ( -3.682 -3.374 0.000) 4.994 7.385 ( -7.688 -1.383 0.000) 7.812 7.555 ( 2.979 -7.542 0.000) 8.109 7.568 ( 9.932 9.076 0.000) 13.454 7.646 ( -4.198 3.293 0.000) 5.335 7.703 ( 4.576 0.852 0.000) 4.654 7.742 ( -5.815 -5.968 0.000) 8.333 7.937 ( -1.236 0.182 0.000) 1.250 8.065 ( 0.246 9.674 0.000) 9.677 8.078 ( -2.436 -1.407 0.000) 2.813 8.104 ( -3.317 -0.417 0.000) 3.343 8.188 ( -8.512 -4.622 0.000) 9.686 8.233 ( -5.445 4.976 0.000) 7.376 8.318 ( -3.758 2.475 0.000) 4.500 8.416 ( -1.934 1.026 0.000) 2.189 8.519 ( 1.811 -4.583 0.000) 4.928 8.526 ( -0.614 7.153 0.000) 7.179 8.647 ( -4.515 -3.877 0.000) 5.951 8.655 ( -1.194 -4.386 0.000) 4.546 8.735 ( 0.553 0.184 0.000) 0.583 8.749 ( -3.008 -0.382 0.000) 3.033 8.873 ( 1.434 4.892 0.000) 5.097 8.924 ( 3.598 -5.551 0.000) 6.615 8.945 ( -3.308 2.394 0.000) 4.083 9.048 ( 5.708 -1.777 0.000) 5.978 9.113 ( 2.849 -1.560 0.000) 3.248 9.183 ( 2.258 -0.095 0.000) 2.260 9.205 ( -5.024 -3.415 0.000) 6.075 9.274 ( -1.097 -2.198 0.000) 2.457 9.316 ( 1.814 4.254 0.000) 4.625 9.316 ( -1.514 -7.224 0.000) 7.381 9.346 ( -1.797 -1.515 0.000) 2.351 9.409 ( 4.696 1.538 0.000) 4.942 9.411 ( 3.845 -1.373 0.000) 4.083 9.467 ( -2.926 -0.379 0.000) 2.950 9.504 ( 1.827 -0.429 0.000) 1.876 9.568 ( -2.271 -0.669 0.000) 2.368 9.658 ( 5.609 -0.072 0.000) 5.609 9.684 ( 3.823 5.236 0.000) 6.483 9.735 ( -1.365 5.021 0.000) 5.204 9.797 ( 6.119 1.569 0.000) 6.317 9.903 ( 0.671 0.743 0.000) 1.001 9.937 ( 1.781 -1.373 0.000) 2.249 9.979 ( -7.903 4.710 0.000) 9.200 10.068 ( -3.931 5.164 0.000) 6.490 10.119 ( 7.753 -0.414 0.000) 7.764 10.146 ( 3.696 -1.123 0.000) 3.862 10.208 ( -1.415 -3.724 0.000) 3.984 10.388 ( 2.325 -0.241 0.000) 2.337 10.388 ( 0.449 -3.468 0.000) 3.497 10.484 ( -5.535 -2.250 0.000) 5.975 10.518 ( -0.225 -8.550 0.000) 8.553 10.531 ( 3.786 -6.500 0.000) 7.522 10.649 ( 1.243 -10.501 0.000) 10.574 10.712 ( -1.794 -5.489 0.000) 5.775 10.760 ( 0.706 -0.765 0.000) 1.041 10.814 ( 6.402 -2.222 0.000) 6.777 10.829 ( 0.693 0.534 0.000) 0.875 10.849 ( -0.317 9.784 0.000) 9.789 11.009 ( 3.201 -0.091 0.000) 3.203 11.015 ( 2.112 3.965 0.000) 4.492 11.033 ( -1.573 5.385 0.000) 5.610 11.069 ( -4.191 -1.714 0.000) 4.528 11.139 ( 2.185 -1.342 0.000) 2.564 11.159 ( -8.230 0.075 0.000) 8.230 11.221 ( -2.256 2.966 0.000) 3.726 11.344 ( 4.863 4.035 0.000) 6.319 11.404 ( -4.358 2.166 0.000) 4.866 11.446 ( 2.230 1.490 0.000) 2.682 11.600 ( -2.179 -0.559 0.000) 2.249 11.626 ( -5.960 0.789 0.000) 6.012 11.692 ( -3.995 7.894 0.000) 8.847 11.727 ( -0.468 -0.914 0.000) 1.027 11.796 ( -1.641 -3.984 0.000) 4.309 11.872 ( -6.209 0.655 0.000) 6.243 11.902 ( -1.546 0.995 0.000) 1.839 11.913 ( -0.349 2.650 0.000) 2.673 12.023 ( -1.641 1.613 0.000) 2.301 12.156 ( 0.914 6.271 0.000) 6.337 12.167 ( -5.058 0.869 0.000) 5.133 12.219 ( -1.282 6.696 0.000) 6.818 12.389 ( 7.430 -6.260 0.000) 9.716 12.446 ( -4.594 -1.099 0.000) 4.723 12.480 ( 0.983 -4.255 0.000) 4.367 12.517 ( -1.040 -2.239 0.000) 2.469 12.545 ( -0.930 -2.227 0.000) 2.413 12.653 ( -2.470 -7.505 0.000) 7.901 12.677 ( -1.500 2.285 0.000) 2.734 12.682 ( -3.109 2.364 0.000) 3.906 12.736 ( 2.693 -1.179 0.000) 2.939 12.820 ( 3.042 2.884 0.000) 4.192 12.828 ( 3.521 1.413 0.000) 3.794 12.927 ( -0.334 -1.102 0.000) 1.152 12.964 ( -2.896 0.342 0.000) 2.916 12.966 ( -2.273 -0.784 0.000) 2.404 12.970 ( -1.649 2.307 0.000) 2.836 12.987 ( 2.851 -1.401 0.000) 3.177 13.214 ( 2.026 -2.088 0.000) 2.910 13.220 ( -0.406 1.584 0.000) 1.635 13.303 ( -2.536 1.437 0.000) 2.915 13.332 ( -1.758 0.869 0.000) 1.961 13.452 ( 4.975 0.583 0.000) 5.009 13.461 ( 0.671 -3.328 0.000) 3.395 13.656 ( 1.507 -2.135 0.000) 2.613 13.674 ( 0.382 -3.127 0.000) 3.151 13.747 ( -0.437 -0.098 0.000) 0.448 13.779 ( -2.935 -3.796 0.000) 4.799 13.787 ( 0.024 3.744 0.000) 3.745 13.865 ( 1.356 1.368 0.000) 1.926 13.878 ( 3.800 3.768 0.000) 5.351 13.978 ( -1.286 -0.529 0.000) 1.390 14.056 ( 0.898 -0.362 0.000) 0.968 14.111 ( -3.686 5.245 0.000) 6.411 14.225 ( -5.423 2.033 0.000) 5.792 14.262 ( -5.966 2.115 0.000) 6.330 14.518 ( 0.825 -5.879 0.000) 5.937 14.524 ( 0.052 3.719 0.000) 3.719 14.552 ( 0.311 -5.579 0.000) 5.588 14.608 ( -1.613 3.727 0.000) 4.061 14.854 ( 7.090 1.629 0.000) 7.275 14.898 ( 1.565 -7.163 0.000) 7.332 14.948 ( 0.520 -3.703 0.000) 3.740 14.977 ( 0.758 4.550 0.000) 4.613 15.118 ( 1.151 4.896 0.000) 5.030 15.172 ( -0.783 2.127 0.000) 2.266 15.425 ( 0.116 -0.630 0.000) 0.641 15.480 ( -1.561 -0.342 0.000) 1.598 15.500 ( 6.221 -17.866 0.000) 18.918 15.639 ( 5.051 -2.775 0.000) 5.763 15.669 ( -0.328 -1.521 0.000) 1.556 15.728 ( 2.587 -1.906 0.000) 3.213 15.779 ( 4.243 -2.172 0.000) 4.767 15.805 ( 4.851 -8.190 0.000) 9.519 15.854 ( 10.865 2.737 0.000) 11.204 15.910 ( 2.077 -7.723 0.000) 7.997 15.996 ( -2.151 -5.013 0.000) 5.455 16.214 ( -5.087 0.925 0.000) 5.171 16.215 ( 6.007 -1.311 0.000) 6.149 16.331 ( -2.477 4.665 0.000) 5.282 16.348 ( -1.371 1.793 0.000) 2.257 16.405 ( 0.546 0.730 0.000) 0.911 16.475 ( -3.103 -4.655 0.000) 5.594 16.488 ( 6.176 1.400 0.000) 6.332 16.521 ( -7.249 -0.770 0.000) 7.290 16.667 ( 1.000 1.701 0.000) 1.973 16.695 ( -4.132 6.124 0.000) 7.387 16.709 ( 0.377 1.623 0.000) 1.666 16.730 ( -3.383 -0.813 0.000) 3.479 16.792 ( 4.667 -1.695 0.000) 4.965 16.899 ( -1.627 -0.903 0.000) 1.861 16.916 ( 4.959 4.051 0.000) 6.403 16.960 ( -7.821 -0.787 0.000) 7.861 17.041 ( 1.450 1.943 0.000) 2.424 17.065 ( -4.708 6.784 0.000) 8.257 17.157 ( -4.870 2.886 0.000) 5.661 17.168 ( -0.579 8.163 0.000) 8.184 17.306 ( 1.232 4.604 0.000) 4.766 17.313 ( -6.198 5.800 0.000) 8.489 17.326 ( -0.549 -0.148 0.000) 0.568 17.359 ( 2.014 -2.292 0.000) 3.051 17.405 ( 6.195 -4.904 0.000) 7.901 17.406 ( 0.154 2.453 0.000) 2.458 17.545 ( 0.445 2.356 0.000) 2.397 17.600 ( -4.553 0.829 0.000) 4.628 17.665 ( 2.367 3.607 0.000) 4.314 17.740 ( -1.530 3.288 0.000) 3.627 17.748 ( 4.788 -0.861 0.000) 4.865 17.863 ( 0.906 -0.216 0.000) 0.931 17.866 ( 3.847 0.738 0.000) 3.917 17.941 ( 1.608 5.326 0.000) 5.564 17.992 ( 3.469 -4.120 0.000) 5.386 18.069 ( 2.554 -1.755 0.000) 3.099 18.120 ( 3.961 0.561 0.000) 4.001 18.201 ( -5.774 -1.960 0.000) 6.098 18.247 ( 4.828 -3.696 0.000) 6.080 18.476 ( -2.507 -5.595 0.000) 6.131 18.476 ( -2.502 1.715 0.000) 3.034 18.543 ( 1.176 -3.987 0.000) 4.157 18.707 ( -8.662 -3.242 0.000) 9.249 18.744 ( 9.984 -1.250 0.000) 10.062 18.797 ( 1.716 7.529 0.000) 7.722 18.960 ( 3.943 5.681 0.000) 6.915 19.018 ( -5.029 6.199 0.000) 7.983 19.298 ( 1.323 1.912 0.000) 2.325 19.405 ( 4.546 -2.679 0.000) 5.277 19.456 ( -1.791 4.163 0.000) 4.532 19.562 ( -2.364 4.766 0.000) 5.320 19.730 ( 8.497 5.042 0.000) 9.880 19.971 ( 7.126 1.515 0.000) 7.285 20.030 ( -4.242 1.147 0.000) 4.394 20.118 ( -0.510 -2.458 0.000) 2.510 21.086 ( 5.437 -0.153 0.000) 5.439 21.208 ( -2.577 -1.573 0.000) 3.019 21.272 ( -1.984 -4.176 0.000) 4.624 21.314 ( -3.287 -2.549 0.000) 4.160 21.366 ( -6.703 -3.969 0.000) 7.790 21.531 ( 3.338 -8.518 0.000) 9.149 21.538 ( -11.726 -0.738 0.000) 11.749 21.762 ( -8.764 -8.306 0.000) 12.074 ======================= Grid point 10 (8/36) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -31.637 14.703 0.000) 34.887 2.545 ( 31.637 14.703 0.000) 34.887 2.642 ( -29.992 18.375 0.000) 35.173 2.642 ( 29.992 18.375 0.000) 35.173 3.738 ( -14.443 -6.000 0.000) 15.640 3.738 ( 14.443 -6.000 0.000) 15.640 3.977 ( -13.536 -1.826 0.000) 13.659 3.977 ( 13.536 -1.826 0.000) 13.659 4.010 ( -13.155 -4.213 0.000) 13.813 4.010 ( 13.155 -4.213 0.000) 13.813 4.064 ( -6.211 -2.108 0.000) 6.559 4.064 ( 6.211 -2.108 0.000) 6.559 4.258 ( -3.797 2.873 0.000) 4.762 4.258 ( 3.797 2.873 0.000) 4.762 4.384 ( -7.788 -6.942 0.000) 10.433 4.384 ( 7.788 -6.942 0.000) 10.433 4.455 ( -5.336 -11.656 0.000) 12.819 4.455 ( 5.336 -11.656 0.000) 12.819 4.721 ( -2.668 -0.602 0.000) 2.735 4.721 ( 2.668 -0.602 0.000) 2.735 4.828 ( -2.308 4.386 0.000) 4.956 4.828 ( 2.308 4.386 0.000) 4.956 5.023 ( -0.535 4.458 0.000) 4.490 5.023 ( 0.535 4.458 0.000) 4.490 5.944 ( -0.892 3.312 0.000) 3.430 5.944 ( 0.892 3.312 0.000) 3.430 6.062 ( -0.588 2.670 0.000) 2.734 6.062 ( 0.588 2.670 0.000) 2.734 6.465 ( -5.073 -2.398 0.000) 5.611 6.465 ( 5.073 -2.398 0.000) 5.611 6.531 ( -0.626 -5.990 0.000) 6.023 6.531 ( 0.626 -5.990 0.000) 6.023 6.749 ( -3.039 1.440 0.000) 3.364 6.749 ( 3.039 1.440 0.000) 3.364 6.851 ( -9.982 3.228 0.000) 10.491 6.851 ( 9.982 3.228 0.000) 10.491 7.106 ( -9.176 3.851 0.000) 9.951 7.106 ( 9.176 3.851 0.000) 9.951 7.189 ( -8.625 6.767 0.000) 10.963 7.189 ( 8.625 6.767 0.000) 10.963 7.241 ( -3.549 -2.429 0.000) 4.301 7.241 ( 3.549 -2.429 0.000) 4.301 7.493 ( -8.237 -2.797 0.000) 8.699 7.493 ( 8.237 -2.797 0.000) 8.699 7.645 ( -2.731 -4.830 0.000) 5.549 7.645 ( 2.731 -4.830 0.000) 5.549 7.807 ( -3.436 2.861 0.000) 4.471 7.807 ( 3.436 2.861 0.000) 4.471 7.917 ( -6.390 5.900 0.000) 8.697 7.917 ( 6.390 5.900 0.000) 8.697 8.074 ( -2.850 -3.642 0.000) 4.624 8.074 ( 2.850 -3.642 0.000) 4.624 8.117 ( -5.308 8.061 0.000) 9.652 8.117 ( 5.308 8.061 0.000) 9.652 8.352 ( -5.372 -3.564 0.000) 6.446 8.352 ( 5.372 -3.564 0.000) 6.446 8.517 ( -0.073 4.454 0.000) 4.455 8.517 ( 0.073 4.454 0.000) 4.455 8.633 ( -1.354 -5.961 0.000) 6.113 8.633 ( 1.354 -5.961 0.000) 6.113 8.749 ( -1.432 1.679 0.000) 2.207 8.749 ( 1.432 1.679 0.000) 2.207 8.863 ( -3.160 2.933 0.000) 4.312 8.863 ( 3.160 2.933 0.000) 4.312 9.048 ( -6.187 -3.715 0.000) 7.217 9.048 ( 6.187 -3.715 0.000) 7.217 9.189 ( -4.212 -2.585 0.000) 4.942 9.189 ( 4.212 -2.585 0.000) 4.942 9.216 ( -3.890 -4.177 0.000) 5.708 9.216 ( 3.890 -4.177 0.000) 5.708 9.274 ( -0.052 0.472 0.000) 0.475 9.274 ( 0.052 0.472 0.000) 0.475 9.392 ( -3.756 1.519 0.000) 4.051 9.392 ( 3.756 1.519 0.000) 4.051 9.487 ( -0.700 0.803 0.000) 1.065 9.487 ( 0.700 0.803 0.000) 1.065 9.505 ( -2.605 -3.582 0.000) 4.430 9.505 ( 2.605 -3.582 0.000) 4.430 9.713 ( -1.293 4.841 0.000) 5.011 9.713 ( 1.293 4.841 0.000) 5.011 9.815 ( -8.953 2.576 0.000) 9.316 9.815 ( 8.953 2.576 0.000) 9.316 9.918 ( -4.319 1.975 0.000) 4.749 9.918 ( 4.319 1.975 0.000) 4.749 9.973 ( -6.239 0.745 0.000) 6.283 9.973 ( 6.239 0.745 0.000) 6.283 10.191 ( -1.241 -2.341 0.000) 2.650 10.191 ( 1.241 -2.341 0.000) 2.650 10.307 ( -11.488 -2.438 0.000) 11.744 10.307 ( 11.488 -2.438 0.000) 11.744 10.408 ( -0.738 -1.684 0.000) 1.838 10.408 ( 0.738 -1.684 0.000) 1.838 10.544 ( -0.765 -13.045 0.000) 13.067 10.544 ( 0.765 -13.045 0.000) 13.067 10.624 ( -2.992 0.358 0.000) 3.013 10.624 ( 2.992 0.358 0.000) 3.013 10.848 ( -2.616 1.971 0.000) 3.275 10.848 ( 2.616 1.971 0.000) 3.275 10.890 ( -5.100 0.625 0.000) 5.138 10.890 ( 5.100 0.625 0.000) 5.138 10.987 ( -5.856 3.455 0.000) 6.799 10.987 ( 5.856 3.455 0.000) 6.799 11.033 ( -0.523 0.986 0.000) 1.116 11.033 ( 0.523 0.986 0.000) 1.116 11.084 ( -3.963 1.604 0.000) 4.275 11.084 ( 3.963 1.604 0.000) 4.275 11.320 ( -8.372 -3.889 0.000) 9.232 11.320 ( 8.372 -3.889 0.000) 9.232 11.476 ( -0.119 -5.416 0.000) 5.418 11.476 ( 0.119 -5.416 0.000) 5.418 11.572 ( -1.042 5.423 0.000) 5.522 11.572 ( 1.042 5.423 0.000) 5.522 11.676 ( -8.001 2.799 0.000) 8.477 11.676 ( 8.001 2.799 0.000) 8.477 11.745 ( -0.728 0.987 0.000) 1.226 11.745 ( 0.728 0.987 0.000) 1.226 11.909 ( -0.201 3.038 0.000) 3.045 11.909 ( 0.201 3.038 0.000) 3.045 12.067 ( -4.914 0.865 0.000) 4.990 12.067 ( 4.914 0.865 0.000) 4.990 12.188 ( -2.076 7.811 0.000) 8.082 12.188 ( 2.076 7.811 0.000) 8.082 12.436 ( -2.853 -2.737 0.000) 3.954 12.436 ( 2.853 -2.737 0.000) 3.954 12.488 ( -3.144 -5.113 0.000) 6.003 12.488 ( 3.144 -5.113 0.000) 6.003 12.596 ( -3.705 -5.234 0.000) 6.412 12.596 ( 3.705 -5.234 0.000) 6.412 12.643 ( -0.117 2.032 0.000) 2.036 12.643 ( 0.117 2.032 0.000) 2.036 12.831 ( -5.255 -1.220 0.000) 5.395 12.831 ( 5.255 -1.220 0.000) 5.395 12.864 ( -0.957 -0.919 0.000) 1.327 12.864 ( 0.957 -0.919 0.000) 1.327 12.929 ( -0.089 1.626 0.000) 1.628 12.929 ( 0.089 1.626 0.000) 1.628 13.004 ( -1.280 0.395 0.000) 1.340 13.004 ( 1.280 0.395 0.000) 1.340 13.226 ( -0.493 0.187 0.000) 0.527 13.226 ( 0.493 0.187 0.000) 0.527 13.297 ( -1.451 3.908 0.000) 4.169 13.297 ( 1.451 3.908 0.000) 4.169 13.485 ( -1.074 -0.636 0.000) 1.248 13.485 ( 1.074 -0.636 0.000) 1.248 13.671 ( -0.637 -4.904 0.000) 4.945 13.671 ( 0.637 -4.904 0.000) 4.945 13.735 ( -0.366 -3.723 0.000) 3.741 13.735 ( 0.366 -3.723 0.000) 3.741 13.873 ( -7.186 6.302 0.000) 9.557 13.873 ( 7.186 6.302 0.000) 9.557 13.908 ( -0.956 2.358 0.000) 2.544 13.908 ( 0.956 2.358 0.000) 2.544 14.108 ( -1.720 4.657 0.000) 4.964 14.108 ( 1.720 4.657 0.000) 4.964 14.154 ( -1.155 0.096 0.000) 1.159 14.154 ( 1.155 0.096 0.000) 1.159 14.521 ( -0.176 2.062 0.000) 2.070 14.521 ( 0.176 2.062 0.000) 2.070 14.578 ( -1.593 -4.473 0.000) 4.749 14.578 ( 1.593 -4.473 0.000) 4.749 14.917 ( -0.236 -4.910 0.000) 4.915 14.917 ( 0.236 -4.910 0.000) 4.915 14.970 ( -1.891 4.435 0.000) 4.821 14.970 ( 1.891 4.435 0.000) 4.821 15.149 ( -1.675 1.813 0.000) 2.468 15.149 ( 1.675 1.813 0.000) 2.468 15.442 ( -1.749 -0.216 0.000) 1.762 15.442 ( 1.749 -0.216 0.000) 1.762 15.591 ( -4.684 -9.985 0.000) 11.029 15.591 ( 4.684 -9.985 0.000) 11.029 15.726 ( -2.581 -2.957 0.000) 3.925 15.726 ( 2.581 -2.957 0.000) 3.925 15.860 ( -0.667 -3.844 0.000) 3.902 15.860 ( 0.667 -3.844 0.000) 3.902 15.941 ( -2.954 -4.596 0.000) 5.463 15.941 ( 2.954 -4.596 0.000) 5.463 16.068 ( -10.666 -0.168 0.000) 10.667 16.068 ( 10.666 -0.168 0.000) 10.667 16.287 ( -1.958 -0.129 0.000) 1.962 16.287 ( 1.958 -0.129 0.000) 1.962 16.381 ( -5.117 7.293 0.000) 8.909 16.381 ( 5.117 7.293 0.000) 8.909 16.437 ( -3.032 -6.455 0.000) 7.131 16.437 ( 3.032 -6.455 0.000) 7.131 16.616 ( -5.544 3.745 0.000) 6.690 16.616 ( 5.544 3.745 0.000) 6.690 16.679 ( -1.788 0.480 0.000) 1.852 16.679 ( 1.788 0.480 0.000) 1.852 16.781 ( -7.315 -1.285 0.000) 7.427 16.781 ( 7.315 -1.285 0.000) 7.427 16.869 ( -3.364 -0.749 0.000) 3.446 16.869 ( 3.364 -0.749 0.000) 3.446 17.006 ( -3.886 6.642 0.000) 7.695 17.006 ( 3.886 6.642 0.000) 7.695 17.077 ( -2.899 1.538 0.000) 3.282 17.077 ( 2.899 1.538 0.000) 3.282 17.196 ( -4.631 11.272 0.000) 12.186 17.196 ( 4.631 11.272 0.000) 12.186 17.325 ( -0.191 1.732 0.000) 1.743 17.325 ( 0.191 1.732 0.000) 1.743 17.389 ( -1.614 -0.838 0.000) 1.818 17.389 ( 1.614 -0.838 0.000) 1.818 17.503 ( -4.622 -2.954 0.000) 5.485 17.503 ( 4.622 -2.954 0.000) 5.485 17.601 ( -5.150 4.551 0.000) 6.873 17.601 ( 5.150 4.551 0.000) 6.873 17.772 ( -1.007 1.426 0.000) 1.746 17.772 ( 1.007 1.426 0.000) 1.746 17.918 ( -0.136 -0.023 0.000) 0.138 17.918 ( 0.136 -0.023 0.000) 0.138 17.991 ( -4.812 -3.233 0.000) 5.797 17.991 ( 4.812 -3.233 0.000) 5.797 18.089 ( -0.854 -0.976 0.000) 1.297 18.089 ( 0.854 -0.976 0.000) 1.297 18.272 ( -6.041 -3.262 0.000) 6.865 18.272 ( 6.041 -3.262 0.000) 6.865 18.435 ( -1.425 -1.766 0.000) 2.269 18.435 ( 1.425 -1.766 0.000) 2.269 18.570 ( -4.538 -0.298 0.000) 4.548 18.570 ( 4.538 -0.298 0.000) 4.548 18.883 ( -8.132 4.080 0.000) 9.098 18.883 ( 8.132 4.080 0.000) 9.098 18.935 ( -6.619 2.994 0.000) 7.265 18.935 ( 6.619 2.994 0.000) 7.265 19.370 ( -5.857 4.978 0.000) 7.686 19.370 ( 5.857 4.978 0.000) 7.686 19.503 ( -4.697 -0.431 0.000) 4.717 19.503 ( 4.697 -0.431 0.000) 4.717 19.895 ( -8.434 2.629 0.000) 8.834 19.895 ( 8.434 2.629 0.000) 8.834 20.089 ( -3.434 -0.975 0.000) 3.570 20.089 ( 3.434 -0.975 0.000) 3.570 21.181 ( -2.522 -3.032 0.000) 3.944 21.181 ( 2.522 -3.032 0.000) 3.944 21.260 ( -2.418 -1.047 0.000) 2.635 21.260 ( 2.418 -1.047 0.000) 2.635 21.343 ( -7.661 -1.583 0.000) 7.823 21.343 ( 7.661 -1.583 0.000) 7.823 21.621 ( -6.396 -9.690 0.000) 11.610 21.621 ( 6.396 -9.690 0.000) 11.610 ======================= Grid point 14 (9/36) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 0.000 40.354 0.000) 40.354 1.937 ( 0.000 41.600 0.000) 41.600 2.713 ( 0.000 -35.302 0.000) 35.302 2.771 ( 0.000 -26.256 0.000) 26.256 2.996 ( 0.000 49.981 0.000) 49.981 3.852 ( 0.000 9.363 0.000) 9.363 3.983 ( 0.000 -5.291 0.000) 5.291 4.094 ( 0.000 -30.000 0.000) 30.000 4.109 ( 0.000 3.647 0.000) 3.647 4.174 ( 0.000 1.065 0.000) 1.065 4.193 ( 0.000 -3.677 0.000) 3.677 4.206 ( 0.000 0.498 0.000) 0.498 4.245 ( 0.000 -3.892 0.000) 3.892 4.341 ( 0.000 -5.810 0.000) 5.810 4.472 ( 0.000 0.888 0.000) 0.888 4.479 ( 0.000 4.007 0.000) 4.007 4.490 ( 0.000 -1.165 0.000) 1.165 4.508 ( 0.000 0.851 0.000) 0.851 4.733 ( 0.000 -0.178 0.000) 0.178 4.761 ( 0.000 6.041 0.000) 6.041 4.768 ( 0.000 -3.099 0.000) 3.099 4.843 ( 0.000 -1.866 0.000) 1.866 4.987 ( 0.000 -0.679 0.000) 0.679 5.026 ( 0.000 -2.114 0.000) 2.114 5.977 ( 0.000 6.476 0.000) 6.476 5.983 ( 0.000 7.336 0.000) 7.336 6.014 ( 0.000 5.019 0.000) 5.019 6.085 ( 0.000 -0.302 0.000) 0.302 6.324 ( 0.000 -4.304 0.000) 4.304 6.394 ( 0.000 -8.515 0.000) 8.515 6.435 ( 0.000 1.456 0.000) 1.456 6.521 ( 0.000 -6.443 0.000) 6.443 6.552 ( 0.000 12.346 0.000) 12.346 6.700 ( 0.000 -1.401 0.000) 1.401 6.777 ( 0.000 -4.323 0.000) 4.323 6.835 ( 0.000 -12.811 0.000) 12.811 6.990 ( 0.000 7.977 0.000) 7.977 7.002 ( 0.000 1.948 0.000) 1.948 7.014 ( 0.000 3.822 0.000) 3.822 7.081 ( 0.000 -3.225 0.000) 3.225 7.374 ( 0.000 10.986 0.000) 10.986 7.397 ( 0.000 2.963 0.000) 2.963 7.427 ( 0.000 8.980 0.000) 8.980 7.497 ( 0.000 -4.644 0.000) 4.644 7.617 ( 0.000 -6.136 0.000) 6.136 7.686 ( 0.000 2.274 0.000) 2.274 7.716 ( 0.000 -14.152 0.000) 14.152 7.782 ( 0.000 5.931 0.000) 5.931 7.833 ( 0.000 -10.216 0.000) 10.216 8.087 ( 0.000 7.334 0.000) 7.334 8.094 ( 0.000 -17.308 0.000) 17.308 8.221 ( 0.000 -2.499 0.000) 2.499 8.301 ( 0.000 5.592 0.000) 5.592 8.392 ( 0.000 0.235 0.000) 0.235 8.395 ( 0.000 0.981 0.000) 0.981 8.449 ( 0.000 -5.931 0.000) 5.931 8.467 ( 0.000 7.888 0.000) 7.888 8.605 ( 0.000 14.201 0.000) 14.201 8.650 ( 0.000 -7.053 0.000) 7.053 8.765 ( 0.000 3.570 0.000) 3.570 8.845 ( 0.000 3.052 0.000) 3.052 8.850 ( 0.000 0.548 0.000) 0.548 8.870 ( 0.000 -1.590 0.000) 1.590 8.878 ( 0.000 2.200 0.000) 2.200 8.898 ( 0.000 -10.256 0.000) 10.256 8.924 ( 0.000 -7.317 0.000) 7.317 8.999 ( 0.000 4.459 0.000) 4.459 9.090 ( 0.000 -1.357 0.000) 1.357 9.166 ( 0.000 4.464 0.000) 4.464 9.237 ( 0.000 7.685 0.000) 7.685 9.237 ( 0.000 0.145 0.000) 0.145 9.331 ( 0.000 3.723 0.000) 3.723 9.392 ( 0.000 -5.662 0.000) 5.662 9.439 ( 0.000 -2.378 0.000) 2.378 9.462 ( 0.000 0.257 0.000) 0.257 9.485 ( 0.000 -0.445 0.000) 0.445 9.502 ( 0.000 3.910 0.000) 3.910 9.560 ( 0.000 9.249 0.000) 9.249 9.573 ( 0.000 -1.891 0.000) 1.891 9.660 ( 0.000 4.363 0.000) 4.363 9.754 ( 0.000 -2.631 0.000) 2.631 9.845 ( 0.000 -7.448 0.000) 7.448 9.846 ( 0.000 -1.773 0.000) 1.773 9.879 ( 0.000 -0.235 0.000) 0.235 9.880 ( 0.000 -10.411 0.000) 10.411 9.918 ( 0.000 -9.349 0.000) 9.349 10.226 ( 0.000 -0.459 0.000) 0.459 10.270 ( 0.000 -3.098 0.000) 3.098 10.270 ( 0.000 1.422 0.000) 1.422 10.281 ( 0.000 1.313 0.000) 1.313 10.314 ( 0.000 0.601 0.000) 0.601 10.341 ( 0.000 -6.521 0.000) 6.521 10.350 ( 0.000 1.437 0.000) 1.437 10.415 ( 0.000 -3.214 0.000) 3.214 10.469 ( 0.000 5.734 0.000) 5.734 10.547 ( 0.000 -2.330 0.000) 2.330 10.596 ( 0.000 4.455 0.000) 4.455 10.602 ( 0.000 5.867 0.000) 5.867 10.764 ( 0.000 10.314 0.000) 10.314 10.975 ( 0.000 -5.067 0.000) 5.067 10.998 ( 0.000 -5.155 0.000) 5.155 11.020 ( 0.000 -6.364 0.000) 6.364 11.233 ( 0.000 7.086 0.000) 7.086 11.239 ( 0.000 4.774 0.000) 4.774 11.327 ( 0.000 10.205 0.000) 10.205 11.355 ( 0.000 -5.411 0.000) 5.411 11.447 ( 0.000 -9.652 0.000) 9.652 11.502 ( 0.000 -1.423 0.000) 1.423 11.641 ( 0.000 12.874 0.000) 12.874 11.654 ( 0.000 6.532 0.000) 6.532 11.655 ( 0.000 4.454 0.000) 4.454 11.681 ( 0.000 5.241 0.000) 5.241 11.743 ( 0.000 -0.936 0.000) 0.936 11.793 ( 0.000 -2.898 0.000) 2.898 11.855 ( 0.000 -8.460 0.000) 8.460 11.926 ( 0.000 -1.835 0.000) 1.835 12.006 ( 0.000 -0.372 0.000) 0.372 12.054 ( 0.000 9.002 0.000) 9.002 12.124 ( 0.000 -1.642 0.000) 1.642 12.132 ( 0.000 4.872 0.000) 4.872 12.226 ( 0.000 -5.023 0.000) 5.023 12.268 ( 0.000 7.938 0.000) 7.938 12.271 ( 0.000 -9.349 0.000) 9.349 12.385 ( 0.000 4.023 0.000) 4.023 12.449 ( 0.000 -6.211 0.000) 6.211 12.490 ( 0.000 -4.908 0.000) 4.908 12.530 ( 0.000 0.099 0.000) 0.099 12.578 ( 0.000 -3.559 0.000) 3.559 12.688 ( 0.000 2.810 0.000) 2.810 12.724 ( 0.000 -1.792 0.000) 1.792 12.836 ( 0.000 4.508 0.000) 4.508 12.844 ( 0.000 5.488 0.000) 5.488 12.855 ( 0.000 3.993 0.000) 3.993 12.913 ( 0.000 -0.001 0.000) 0.001 12.926 ( 0.000 -3.128 0.000) 3.128 12.970 ( 0.000 -5.537 0.000) 5.537 13.053 ( 0.000 3.391 0.000) 3.391 13.068 ( 0.000 0.084 0.000) 0.084 13.091 ( 0.000 -2.523 0.000) 2.523 13.094 ( 0.000 0.624 0.000) 0.624 13.234 ( 0.000 -0.852 0.000) 0.852 13.272 ( 0.000 -4.131 0.000) 4.131 13.370 ( 0.000 0.180 0.000) 0.180 13.423 ( 0.000 -3.856 0.000) 3.856 13.637 ( 0.000 0.316 0.000) 0.316 13.642 ( 0.000 -1.177 0.000) 1.177 13.658 ( 0.000 -2.848 0.000) 2.848 13.695 ( 0.000 -3.300 0.000) 3.300 13.906 ( 0.000 2.305 0.000) 2.305 13.923 ( 0.000 3.368 0.000) 3.368 13.936 ( 0.000 -0.595 0.000) 0.595 13.972 ( 0.000 6.351 0.000) 6.351 13.985 ( 0.000 -1.799 0.000) 1.799 14.122 ( 0.000 -7.042 0.000) 7.042 14.250 ( 0.000 4.419 0.000) 4.419 14.372 ( 0.000 -3.950 0.000) 3.950 14.454 ( 0.000 0.813 0.000) 0.813 14.488 ( 0.000 -0.362 0.000) 0.362 14.489 ( 0.000 -1.406 0.000) 1.406 14.578 ( 0.000 -10.548 0.000) 10.548 14.723 ( 0.000 3.638 0.000) 3.638 14.817 ( 0.000 -4.796 0.000) 4.796 14.818 ( 0.000 3.666 0.000) 3.666 14.846 ( 0.000 0.641 0.000) 0.641 15.212 ( 0.000 5.970 0.000) 5.970 15.222 ( 0.000 2.409 0.000) 2.409 15.383 ( 0.000 1.301 0.000) 1.301 15.413 ( 0.000 -1.213 0.000) 1.213 15.420 ( 0.000 1.192 0.000) 1.192 15.524 ( 0.000 9.335 0.000) 9.335 15.558 ( 0.000 0.373 0.000) 0.373 15.559 ( 0.000 -7.725 0.000) 7.725 15.606 ( 0.000 4.217 0.000) 4.217 15.637 ( 0.000 2.205 0.000) 2.205 15.774 ( 0.000 -9.445 0.000) 9.445 15.809 ( 0.000 1.335 0.000) 1.335 15.880 ( 0.000 -11.171 0.000) 11.171 15.889 ( 0.000 -2.654 0.000) 2.654 16.348 ( 0.000 2.208 0.000) 2.208 16.403 ( 0.000 -2.969 0.000) 2.969 16.442 ( 0.000 2.590 0.000) 2.590 16.456 ( 0.000 2.429 0.000) 2.429 16.473 ( 0.000 1.081 0.000) 1.081 16.536 ( 0.000 5.788 0.000) 5.788 16.548 ( 0.000 -5.537 0.000) 5.537 16.640 ( 0.000 -4.363 0.000) 4.363 16.755 ( 0.000 7.677 0.000) 7.677 16.860 ( 0.000 5.015 0.000) 5.015 16.870 ( 0.000 2.023 0.000) 2.023 16.888 ( 0.000 4.531 0.000) 4.531 16.908 ( 0.000 0.178 0.000) 0.178 16.961 ( 0.000 -9.502 0.000) 9.502 16.980 ( 0.000 3.788 0.000) 3.788 17.046 ( 0.000 -1.085 0.000) 1.085 17.080 ( 0.000 -2.839 0.000) 2.839 17.109 ( 0.000 -5.851 0.000) 5.851 17.245 ( 0.000 0.452 0.000) 0.452 17.245 ( 0.000 -0.301 0.000) 0.301 17.389 ( 0.000 2.933 0.000) 2.933 17.437 ( 0.000 10.994 0.000) 10.994 17.447 ( 0.000 -2.442 0.000) 2.442 17.484 ( 0.000 6.805 0.000) 6.805 17.542 ( 0.000 5.429 0.000) 5.429 17.544 ( 0.000 1.638 0.000) 1.638 17.566 ( 0.000 5.281 0.000) 5.281 17.632 ( 0.000 2.781 0.000) 2.781 17.667 ( 0.000 -8.802 0.000) 8.802 17.710 ( 0.000 6.030 0.000) 6.030 17.768 ( 0.000 -6.770 0.000) 6.770 17.847 ( 0.000 -3.870 0.000) 3.870 17.902 ( 0.000 0.310 0.000) 0.310 17.935 ( 0.000 -6.324 0.000) 6.324 18.015 ( 0.000 9.243 0.000) 9.243 18.174 ( 0.000 1.588 0.000) 1.588 18.208 ( 0.000 -3.372 0.000) 3.372 18.233 ( 0.000 -9.110 0.000) 9.110 18.373 ( 0.000 1.612 0.000) 1.612 18.418 ( 0.000 -1.952 0.000) 1.952 18.618 ( 0.000 0.362 0.000) 0.362 18.658 ( 0.000 -3.954 0.000) 3.954 18.702 ( 0.000 4.792 0.000) 4.792 18.814 ( 0.000 -2.161 0.000) 2.161 18.931 ( 0.000 1.636 0.000) 1.636 18.981 ( 0.000 0.235 0.000) 0.235 19.321 ( 0.000 1.239 0.000) 1.239 19.356 ( 0.000 -1.444 0.000) 1.444 19.533 ( 0.000 2.806 0.000) 2.806 19.574 ( 0.000 -0.409 0.000) 0.409 19.933 ( 0.000 8.164 0.000) 8.164 19.962 ( 0.000 9.388 0.000) 9.388 20.066 ( 0.000 -3.730 0.000) 3.730 20.090 ( 0.000 -3.207 0.000) 3.207 21.063 ( 0.000 4.872 0.000) 4.872 21.206 ( 0.000 -7.739 0.000) 7.739 21.313 ( 0.000 -2.020 0.000) 2.020 21.325 ( 0.000 -0.631 0.000) 0.631 21.343 ( 0.000 -2.683 0.000) 2.683 21.348 ( 0.000 -5.094 0.000) 5.094 21.844 ( 0.000 2.966 0.000) 2.966 21.938 ( 0.000 -5.308 0.000) 5.308 ======================= Grid point 15 (10/36) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 16.915 36.630 0.000) 40.347 2.183 ( 22.982 35.744 0.000) 42.494 2.815 ( 10.656 -32.930 0.000) 34.612 2.916 ( 14.431 -23.346 0.000) 27.446 3.165 ( 18.333 43.676 0.000) 47.368 3.766 ( -9.499 10.235 0.000) 13.964 3.950 ( -4.476 -5.027 0.000) 6.731 3.963 ( -15.772 6.755 0.000) 17.158 4.105 ( -9.554 -5.392 0.000) 10.971 4.120 ( -0.478 -28.301 0.000) 28.305 4.155 ( 0.424 5.641 0.000) 5.657 4.193 ( -2.035 -0.441 0.000) 2.083 4.221 ( -1.246 -3.388 0.000) 3.609 4.299 ( -2.793 -4.877 0.000) 5.620 4.364 ( -5.843 -1.540 0.000) 6.042 4.408 ( -4.917 1.631 0.000) 5.181 4.431 ( -5.959 0.105 0.000) 5.960 4.455 ( -4.508 -7.121 0.000) 8.428 4.804 ( 2.824 4.459 0.000) 5.278 4.814 ( 4.893 0.539 0.000) 4.923 4.845 ( 8.287 -1.482 0.000) 8.418 4.864 ( -0.727 -1.529 0.000) 1.693 4.972 ( -1.518 1.338 0.000) 2.023 5.022 ( -0.225 -1.402 0.000) 1.420 5.972 ( 1.035 7.047 0.000) 7.122 6.031 ( 1.514 3.437 0.000) 3.755 6.048 ( 3.812 2.610 0.000) 4.619 6.073 ( -1.194 0.906 0.000) 1.498 6.360 ( 2.482 -1.781 0.000) 3.054 6.429 ( 1.122 -5.513 0.000) 5.626 6.477 ( 3.464 0.185 0.000) 3.469 6.540 ( 0.394 -3.603 0.000) 3.624 6.588 ( 6.217 8.484 0.000) 10.518 6.704 ( 1.899 -1.794 0.000) 2.612 6.760 ( -1.520 -5.555 0.000) 5.760 6.777 ( -2.581 -6.027 0.000) 6.556 7.037 ( 5.059 6.482 0.000) 8.223 7.069 ( 6.374 2.724 0.000) 6.931 7.115 ( 7.794 1.140 0.000) 7.877 7.137 ( 6.323 -3.352 0.000) 7.156 7.326 ( -6.760 3.700 0.000) 7.706 7.337 ( -2.484 11.055 0.000) 11.331 7.455 ( -4.335 -5.713 0.000) 7.172 7.499 ( 5.084 8.287 0.000) 9.722 7.556 ( -4.305 -6.640 0.000) 7.913 7.693 ( -2.811 -9.856 0.000) 10.249 7.705 ( 1.643 2.291 0.000) 2.819 7.796 ( -2.967 -4.405 0.000) 5.311 7.841 ( 5.290 2.392 0.000) 5.805 8.051 ( -2.232 3.627 0.000) 4.259 8.101 ( 1.555 -16.173 0.000) 16.248 8.170 ( -4.649 -4.933 0.000) 6.779 8.294 ( -1.719 7.247 0.000) 7.448 8.357 ( -6.664 10.158 0.000) 12.149 8.398 ( -3.785 3.021 0.000) 4.843 8.437 ( 3.598 2.869 0.000) 4.601 8.491 ( 4.838 -2.261 0.000) 5.340 8.602 ( -3.734 -10.770 0.000) 11.399 8.633 ( -1.033 0.276 0.000) 1.070 8.693 ( -2.967 8.348 0.000) 8.859 8.788 ( -5.381 -5.473 0.000) 7.675 8.866 ( 0.156 -6.921 0.000) 6.923 8.884 ( 1.511 6.779 0.000) 6.945 8.895 ( 0.099 2.486 0.000) 2.488 8.906 ( 1.832 0.167 0.000) 1.839 8.981 ( -1.741 10.717 0.000) 10.858 9.009 ( 5.385 -8.844 0.000) 10.355 9.170 ( 7.190 -1.699 0.000) 7.388 9.181 ( -4.375 5.598 0.000) 7.105 9.196 ( 3.434 0.250 0.000) 3.444 9.265 ( 3.261 -2.874 0.000) 4.347 9.296 ( -7.628 -4.121 0.000) 8.670 9.315 ( -0.851 0.580 0.000) 1.030 9.383 ( -4.036 -2.563 0.000) 4.781 9.471 ( 1.262 3.722 0.000) 3.930 9.498 ( -2.701 4.139 0.000) 4.942 9.538 ( -0.930 2.235 0.000) 2.420 9.548 ( 4.252 -2.020 0.000) 4.707 9.596 ( 1.526 5.013 0.000) 5.241 9.710 ( 4.768 4.151 0.000) 6.322 9.768 ( -2.839 0.358 0.000) 2.861 9.815 ( 5.307 -3.221 0.000) 6.208 9.871 ( -0.675 0.565 0.000) 0.881 9.879 ( 0.576 -5.935 0.000) 5.963 9.927 ( 4.959 -9.449 0.000) 10.671 9.944 ( 2.287 -8.968 0.000) 9.255 10.172 ( -5.503 0.544 0.000) 5.530 10.194 ( -3.144 -0.689 0.000) 3.219 10.272 ( -2.691 6.597 0.000) 7.125 10.323 ( 1.258 -0.655 0.000) 1.419 10.376 ( 3.714 -1.470 0.000) 3.995 10.391 ( 2.285 -1.237 0.000) 2.598 10.395 ( 6.706 -2.520 0.000) 7.164 10.451 ( -1.104 -1.577 0.000) 1.925 10.525 ( 3.485 5.820 0.000) 6.783 10.569 ( 9.612 2.503 0.000) 9.932 10.594 ( 4.951 0.921 0.000) 5.036 10.704 ( -3.996 0.995 0.000) 4.118 10.751 ( 7.705 -5.443 0.000) 9.434 10.849 ( -12.263 -6.156 0.000) 13.722 10.977 ( 1.611 1.700 0.000) 2.342 11.080 ( 3.311 -4.309 0.000) 5.434 11.142 ( -5.508 4.849 0.000) 7.338 11.214 ( -6.513 1.960 0.000) 6.802 11.292 ( -3.868 10.066 0.000) 10.784 11.310 ( -2.222 1.068 0.000) 2.465 11.411 ( -8.910 3.965 0.000) 9.752 11.438 ( -2.709 -5.673 0.000) 6.287 11.550 ( -5.398 -3.581 0.000) 6.477 11.577 ( -12.374 -2.698 0.000) 12.665 11.614 ( -1.851 5.746 0.000) 6.036 11.690 ( 0.444 6.099 0.000) 6.116 11.738 ( 3.317 4.828 0.000) 5.858 11.801 ( -1.068 -0.649 0.000) 1.250 11.875 ( 0.056 -5.785 0.000) 5.785 11.903 ( -0.771 1.991 0.000) 2.135 12.006 ( -0.924 -5.211 0.000) 5.293 12.017 ( -3.308 11.233 0.000) 11.710 12.033 ( -5.337 -0.919 0.000) 5.415 12.215 ( -1.552 -5.287 0.000) 5.510 12.238 ( 8.555 4.167 0.000) 9.516 12.246 ( -1.694 7.395 0.000) 7.587 12.341 ( 4.387 -5.362 0.000) 6.928 12.359 ( -1.135 6.272 0.000) 6.374 12.453 ( 0.460 -7.873 0.000) 7.886 12.488 ( -1.354 -4.536 0.000) 4.734 12.507 ( -2.459 -0.515 0.000) 2.512 12.552 ( -3.213 -4.589 0.000) 5.602 12.695 ( 0.550 2.578 0.000) 2.636 12.732 ( 0.264 -1.514 0.000) 1.537 12.808 ( -3.418 3.668 0.000) 5.014 12.820 ( -1.189 2.487 0.000) 2.757 12.869 ( 1.008 3.669 0.000) 3.805 12.883 ( -3.246 -3.403 0.000) 4.702 12.919 ( -2.669 -2.580 0.000) 3.712 12.958 ( 3.127 -0.494 0.000) 3.165 13.064 ( -2.411 2.365 0.000) 3.377 13.080 ( 1.317 2.835 0.000) 3.126 13.107 ( 2.930 -0.198 0.000) 2.936 13.135 ( 3.408 -3.442 0.000) 4.844 13.301 ( 3.600 -1.556 0.000) 3.922 13.319 ( 6.951 -1.944 0.000) 7.218 13.372 ( 0.448 0.714 0.000) 0.843 13.397 ( -1.391 -1.910 0.000) 2.363 13.626 ( -1.031 0.605 0.000) 1.195 13.628 ( -0.664 -0.282 0.000) 0.722 13.675 ( -0.253 -4.640 0.000) 4.647 13.698 ( -0.874 -5.300 0.000) 5.372 13.905 ( 0.763 4.538 0.000) 4.602 13.916 ( -0.370 3.404 0.000) 3.424 13.965 ( -0.936 -0.934 0.000) 1.322 13.969 ( 3.259 -0.612 0.000) 3.315 13.999 ( 2.480 7.400 0.000) 7.804 14.187 ( 4.994 -8.784 0.000) 10.105 14.242 ( -1.078 3.743 0.000) 3.895 14.350 ( -1.242 -4.855 0.000) 5.011 14.423 ( -2.437 2.250 0.000) 3.317 14.483 ( 1.070 4.375 0.000) 4.504 14.578 ( 3.199 -3.170 0.000) 4.504 14.584 ( 0.771 -11.672 0.000) 11.697 14.736 ( 3.277 2.832 0.000) 4.331 14.817 ( 0.989 5.272 0.000) 5.364 14.823 ( 1.176 -4.697 0.000) 4.842 14.912 ( 4.783 -3.590 0.000) 5.980 15.174 ( -1.712 3.880 0.000) 4.241 15.237 ( -0.083 0.160 0.000) 0.180 15.336 ( -3.643 7.121 0.000) 7.999 15.430 ( 1.325 3.432 0.000) 3.679 15.436 ( 0.569 -3.353 0.000) 3.401 15.522 ( 2.899 3.930 0.000) 4.884 15.585 ( 1.975 -8.365 0.000) 8.595 15.593 ( 3.835 -1.180 0.000) 4.013 15.667 ( 3.485 3.267 0.000) 4.777 15.720 ( 5.748 0.132 0.000) 5.750 15.777 ( -5.978 -4.948 0.000) 7.760 15.804 ( 2.877 -8.843 0.000) 9.300 15.833 ( 3.919 5.730 0.000) 6.942 15.993 ( 7.237 -7.341 0.000) 10.308 16.329 ( -2.084 2.570 0.000) 3.309 16.393 ( -1.354 -3.462 0.000) 3.717 16.418 ( -2.046 1.967 0.000) 2.838 16.424 ( -1.351 1.321 0.000) 1.890 16.488 ( 0.693 2.287 0.000) 2.390 16.522 ( -1.399 5.679 0.000) 5.849 16.570 ( 1.699 -5.245 0.000) 5.513 16.610 ( -3.058 -3.094 0.000) 4.350 16.761 ( 1.022 5.029 0.000) 5.132 16.825 ( -4.646 2.447 0.000) 5.251 16.836 ( -2.997 0.405 0.000) 3.024 16.865 ( -4.344 0.669 0.000) 4.395 16.911 ( 4.555 6.807 0.000) 8.190 16.943 ( -3.100 2.136 0.000) 3.764 17.010 ( -4.061 -2.653 0.000) 4.851 17.029 ( 5.259 -2.130 0.000) 5.674 17.111 ( 2.798 -4.463 0.000) 5.267 17.147 ( 3.945 -5.901 0.000) 7.098 17.249 ( -0.370 1.439 0.000) 1.486 17.256 ( 0.428 1.057 0.000) 1.141 17.353 ( -3.212 2.154 0.000) 3.867 17.404 ( -2.584 -1.595 0.000) 3.036 17.462 ( 2.326 11.140 0.000) 11.380 17.476 ( -3.135 6.492 0.000) 7.209 17.483 ( 0.136 4.663 0.000) 4.665 17.541 ( -0.345 0.119 0.000) 0.365 17.569 ( -1.782 -1.199 0.000) 2.148 17.680 ( 4.313 -0.497 0.000) 4.342 17.712 ( 4.823 -2.097 0.000) 5.259 17.750 ( 3.117 6.528 0.000) 7.234 17.831 ( 5.548 -4.895 0.000) 7.398 17.859 ( -0.509 0.071 0.000) 0.514 17.915 ( -1.546 -2.827 0.000) 3.222 17.941 ( 2.770 -2.416 0.000) 3.675 18.074 ( 2.960 5.526 0.000) 6.269 18.134 ( -2.947 1.129 0.000) 3.156 18.187 ( -2.655 -4.148 0.000) 4.925 18.209 ( -0.193 -3.101 0.000) 3.107 18.324 ( -1.935 -1.823 0.000) 2.658 18.409 ( -0.637 -6.046 0.000) 6.079 18.634 ( 5.156 5.587 0.000) 7.602 18.643 ( -4.549 5.363 0.000) 7.032 18.753 ( -5.707 -4.426 0.000) 7.222 18.760 ( 5.487 -5.278 0.000) 7.613 18.999 ( 7.528 7.176 0.000) 10.400 19.112 ( 10.012 -1.294 0.000) 10.095 19.277 ( -4.689 1.290 0.000) 4.864 19.336 ( -1.952 -2.404 0.000) 3.097 19.567 ( 1.696 2.781 0.000) 3.258 19.586 ( 2.476 1.150 0.000) 2.730 19.924 ( -3.387 9.303 0.000) 9.900 19.961 ( 2.859 6.445 0.000) 7.050 20.062 ( -2.309 -3.975 0.000) 4.597 20.065 ( -0.253 -2.720 0.000) 2.732 21.069 ( 0.972 4.200 0.000) 4.311 21.192 ( -1.221 -6.481 0.000) 6.595 21.275 ( -4.389 0.411 0.000) 4.408 21.296 ( -1.732 -1.997 0.000) 2.643 21.323 ( -2.490 -4.127 0.000) 4.820 21.337 ( -0.986 -5.749 0.000) 5.833 21.751 ( -9.421 2.239 0.000) 9.683 21.829 ( -10.566 -4.666 0.000) 11.550 ======================= Grid point 16 (11/36) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 26.331 29.152 0.000) 39.283 2.644 ( 25.133 29.055 0.000) 38.416 3.076 ( 16.316 -25.173 0.000) 29.998 3.228 ( 16.925 -20.687 0.000) 26.729 3.464 ( -20.583 15.364 0.000) 25.685 3.592 ( -22.316 11.215 0.000) 24.976 3.627 ( 22.510 20.806 0.000) 30.653 3.827 ( -4.331 -6.412 0.000) 7.738 3.869 ( -14.752 -12.227 0.000) 19.160 4.046 ( -1.912 3.282 0.000) 3.799 4.140 ( -3.832 0.457 0.000) 3.859 4.195 ( -1.672 -4.755 0.000) 5.040 4.229 ( 2.533 -4.676 0.000) 5.319 4.270 ( 0.006 -1.532 0.000) 1.532 4.313 ( -1.880 -6.836 0.000) 7.090 4.330 ( -3.309 0.518 0.000) 3.349 4.345 ( -3.370 -0.986 0.000) 3.511 4.425 ( 5.982 -16.277 0.000) 17.341 4.746 ( -13.109 2.999 0.000) 13.448 4.799 ( -6.566 -1.939 0.000) 6.846 4.906 ( 3.934 3.742 0.000) 5.429 4.925 ( -0.341 7.055 0.000) 7.063 4.977 ( 5.427 -2.070 0.000) 5.808 5.040 ( 1.206 -2.100 0.000) 2.422 6.002 ( 1.814 5.486 0.000) 5.778 6.043 ( -1.071 2.626 0.000) 2.836 6.065 ( 1.208 0.482 0.000) 1.300 6.090 ( 0.709 -0.803 0.000) 1.071 6.378 ( 0.550 -0.134 0.000) 0.566 6.405 ( -1.884 -4.374 0.000) 4.763 6.491 ( -4.356 -1.012 0.000) 4.472 6.497 ( -2.779 -2.825 0.000) 3.963 6.764 ( 2.560 -0.581 0.000) 2.625 6.765 ( 9.219 5.255 0.000) 10.612 6.810 ( 5.435 1.720 0.000) 5.700 6.818 ( 9.518 -4.303 0.000) 10.446 7.121 ( 3.321 4.261 0.000) 5.403 7.129 ( -3.446 5.484 0.000) 6.476 7.223 ( -0.393 -3.942 0.000) 3.962 7.231 ( -0.160 3.756 0.000) 3.759 7.277 ( 4.402 -3.249 0.000) 5.471 7.342 ( 4.243 6.183 0.000) 7.499 7.394 ( 1.462 -6.854 0.000) 7.009 7.421 ( -3.849 2.753 0.000) 4.732 7.613 ( -3.295 -3.452 0.000) 4.772 7.665 ( 6.619 -2.700 0.000) 7.148 7.730 ( 0.663 1.913 0.000) 2.024 7.737 ( -3.755 2.178 0.000) 4.342 7.941 ( 6.218 6.321 0.000) 8.867 8.039 ( 1.131 -1.304 0.000) 1.726 8.086 ( -2.934 -4.121 0.000) 5.058 8.172 ( 0.859 -3.920 0.000) 4.013 8.214 ( -0.970 -1.118 0.000) 1.480 8.273 ( -1.671 8.326 0.000) 8.492 8.340 ( -5.181 -1.855 0.000) 5.504 8.383 ( -9.393 0.344 0.000) 9.399 8.536 ( -4.707 6.012 0.000) 7.636 8.561 ( 1.752 -1.803 0.000) 2.514 8.598 ( 2.636 -5.233 0.000) 5.860 8.644 ( -2.127 3.042 0.000) 3.712 8.795 ( 3.677 0.049 0.000) 3.678 8.830 ( -3.324 8.482 0.000) 9.110 8.864 ( -1.808 -11.314 0.000) 11.458 8.925 ( -0.511 -1.299 0.000) 1.396 8.926 ( 1.429 1.087 0.000) 1.796 8.941 ( -1.277 10.507 0.000) 10.584 9.103 ( 4.752 -8.599 0.000) 9.825 9.131 ( -0.194 2.004 0.000) 2.014 9.187 ( -2.704 -1.113 0.000) 2.924 9.218 ( -1.594 -0.560 0.000) 1.690 9.244 ( 0.021 -0.078 0.000) 0.081 9.283 ( -3.878 -7.091 0.000) 8.082 9.360 ( 4.475 0.189 0.000) 4.479 9.385 ( 3.718 -4.439 0.000) 5.790 9.450 ( -2.319 2.374 0.000) 3.318 9.489 ( -3.667 -0.907 0.000) 3.777 9.501 ( 3.642 5.796 0.000) 6.846 9.611 ( -0.164 8.966 0.000) 8.967 9.618 ( 3.508 -3.915 0.000) 5.257 9.783 ( 4.075 4.406 0.000) 6.002 9.826 ( 7.965 1.462 0.000) 8.098 9.833 ( -4.722 -1.331 0.000) 4.906 9.899 ( 2.636 -2.100 0.000) 3.370 9.925 ( 4.769 0.826 0.000) 4.840 9.962 ( -0.189 -3.801 0.000) 3.806 10.058 ( 8.845 -7.342 0.000) 11.495 10.118 ( -0.953 0.181 0.000) 0.970 10.138 ( -2.866 -1.452 0.000) 3.213 10.183 ( -3.273 4.363 0.000) 5.454 10.298 ( -6.482 -7.539 0.000) 9.943 10.382 ( -6.747 3.953 0.000) 7.820 10.393 ( 2.188 2.902 0.000) 3.635 10.413 ( 0.025 -0.337 0.000) 0.337 10.515 ( 3.930 -5.512 0.000) 6.770 10.538 ( -13.438 -0.643 0.000) 13.453 10.569 ( -1.054 -6.453 0.000) 6.538 10.717 ( 8.309 1.384 0.000) 8.424 10.760 ( 9.166 1.013 0.000) 9.222 10.799 ( 7.759 -3.556 0.000) 8.535 10.880 ( 5.852 -6.867 0.000) 9.023 11.059 ( -2.615 1.206 0.000) 2.880 11.072 ( 5.642 5.011 0.000) 7.546 11.098 ( -4.476 -0.600 0.000) 4.516 11.126 ( 2.870 0.540 0.000) 2.920 11.159 ( -9.604 8.930 0.000) 13.114 11.236 ( -5.222 5.504 0.000) 7.587 11.302 ( -3.689 5.455 0.000) 6.585 11.343 ( -7.378 -5.730 0.000) 9.342 11.344 ( -6.239 -3.334 0.000) 7.074 11.481 ( -2.881 -8.787 0.000) 9.247 11.557 ( -6.230 5.055 0.000) 8.023 11.652 ( -7.216 -2.434 0.000) 7.615 11.780 ( 3.609 7.052 0.000) 7.922 11.788 ( 2.043 4.488 0.000) 4.931 11.881 ( 1.461 -1.953 0.000) 2.439 11.920 ( -3.187 4.338 0.000) 5.383 11.923 ( 0.228 -3.279 0.000) 3.286 11.954 ( -3.147 11.097 0.000) 11.535 12.019 ( 0.149 -3.468 0.000) 3.471 12.149 ( -5.306 -4.472 0.000) 6.939 12.237 ( 1.572 4.187 0.000) 4.472 12.347 ( 0.648 -2.619 0.000) 2.698 12.368 ( 1.015 6.374 0.000) 6.454 12.407 ( 4.123 0.558 0.000) 4.161 12.418 ( -5.105 -0.508 0.000) 5.130 12.453 ( -4.236 -3.222 0.000) 5.322 12.477 ( 2.106 -3.711 0.000) 4.267 12.496 ( -0.740 -5.850 0.000) 5.897 12.709 ( -2.048 0.397 0.000) 2.086 12.713 ( 1.928 -0.362 0.000) 1.962 12.752 ( -2.805 3.408 0.000) 4.414 12.815 ( 0.704 -0.424 0.000) 0.822 12.838 ( -2.843 -4.410 0.000) 5.247 12.852 ( 0.171 -3.806 0.000) 3.810 12.891 ( -2.207 2.838 0.000) 3.595 12.943 ( -4.298 -1.493 0.000) 4.550 13.064 ( 2.343 5.144 0.000) 5.653 13.102 ( 0.689 4.573 0.000) 4.624 13.165 ( 3.228 -3.568 0.000) 4.811 13.186 ( 1.782 -3.270 0.000) 3.724 13.373 ( 3.481 3.040 0.000) 4.621 13.387 ( 1.745 4.199 0.000) 4.547 13.425 ( 3.906 0.089 0.000) 3.907 13.439 ( 5.531 -1.969 0.000) 5.871 13.598 ( -2.480 -1.524 0.000) 2.911 13.599 ( -2.339 -1.576 0.000) 2.821 13.644 ( -2.436 -4.960 0.000) 5.526 13.648 ( -4.234 -6.101 0.000) 7.426 13.921 ( 1.505 3.398 0.000) 3.716 13.940 ( 2.797 6.312 0.000) 6.904 13.976 ( 1.448 -0.752 0.000) 1.632 14.008 ( -0.575 0.713 0.000) 0.916 14.078 ( 6.485 6.447 0.000) 9.144 14.210 ( -2.130 4.477 0.000) 4.958 14.235 ( 0.052 -4.532 0.000) 4.532 14.320 ( -2.717 -3.452 0.000) 4.393 14.411 ( 1.701 2.901 0.000) 3.363 14.487 ( -0.569 5.267 0.000) 5.298 14.584 ( -0.755 -0.453 0.000) 0.881 14.597 ( 0.099 -8.843 0.000) 8.844 14.834 ( 4.231 -0.924 0.000) 4.330 14.849 ( 2.069 4.116 0.000) 4.607 14.875 ( 5.027 -3.719 0.000) 6.253 14.977 ( 1.632 -6.161 0.000) 6.373 15.169 ( 1.121 1.331 0.000) 1.740 15.241 ( 1.570 -4.286 0.000) 4.565 15.267 ( -3.838 7.670 0.000) 8.576 15.413 ( -3.408 -5.242 0.000) 6.253 15.465 ( 2.433 4.622 0.000) 5.223 15.588 ( 3.217 -0.554 0.000) 3.264 15.616 ( 1.278 -8.018 0.000) 8.119 15.629 ( -6.633 -3.179 0.000) 7.356 15.714 ( 6.859 -0.175 0.000) 6.861 15.748 ( 4.425 2.485 0.000) 5.075 15.775 ( 1.806 -4.866 0.000) 5.190 15.853 ( 1.508 -6.615 0.000) 6.784 15.987 ( 9.506 7.545 0.000) 12.136 16.134 ( 7.280 -5.239 0.000) 8.969 16.263 ( -5.319 3.041 0.000) 6.127 16.342 ( -4.163 -4.400 0.000) 6.057 16.387 ( -0.232 2.700 0.000) 2.710 16.446 ( 3.049 -1.052 0.000) 3.226 16.486 ( -2.672 6.050 0.000) 6.614 16.511 ( 3.114 2.919 0.000) 4.268 16.547 ( -3.194 -0.190 0.000) 3.200 16.602 ( 1.905 -4.757 0.000) 5.125 16.721 ( -5.860 1.432 0.000) 6.033 16.771 ( -5.571 0.038 0.000) 5.571 16.779 ( -0.271 2.685 0.000) 2.699 16.810 ( 1.191 0.213 0.000) 1.210 16.877 ( -4.608 -0.739 0.000) 4.667 16.907 ( -5.603 -2.448 0.000) 6.115 17.011 ( 5.993 6.850 0.000) 9.102 17.126 ( 4.294 4.737 0.000) 6.394 17.171 ( 4.198 -6.724 0.000) 7.927 17.207 ( -3.576 5.063 0.000) 6.199 17.228 ( -3.223 2.595 0.000) 4.138 17.240 ( 5.827 -5.663 0.000) 8.126 17.321 ( -1.173 0.683 0.000) 1.358 17.368 ( -1.330 -0.663 0.000) 1.486 17.439 ( -0.774 6.808 0.000) 6.852 17.487 ( -0.762 2.633 0.000) 2.741 17.490 ( -0.075 5.418 0.000) 5.418 17.534 ( -0.859 -3.296 0.000) 3.406 17.585 ( 4.609 3.174 0.000) 5.596 17.759 ( 4.033 -7.457 0.000) 8.478 17.787 ( 0.323 3.409 0.000) 3.425 17.795 ( 2.852 3.775 0.000) 4.731 17.813 ( -2.665 3.275 0.000) 4.222 17.843 ( -5.683 0.770 0.000) 5.735 17.930 ( 3.827 -4.910 0.000) 6.225 17.965 ( -0.283 -5.051 0.000) 5.059 18.096 ( -1.216 0.433 0.000) 1.291 18.101 ( 1.503 6.458 0.000) 6.630 18.147 ( 0.701 -2.699 0.000) 2.789 18.279 ( 4.180 -7.308 0.000) 8.419 18.301 ( 0.418 4.396 0.000) 4.416 18.451 ( 3.667 -6.134 0.000) 7.147 18.552 ( -5.642 4.266 0.000) 7.074 18.635 ( -6.814 -3.350 0.000) 7.593 18.772 ( 9.360 3.968 0.000) 10.167 18.856 ( 6.421 -1.940 0.000) 6.707 19.102 ( -0.193 6.322 0.000) 6.324 19.151 ( -8.060 4.000 0.000) 8.998 19.307 ( 9.601 -1.451 0.000) 9.710 19.329 ( 4.350 -3.119 0.000) 5.352 19.555 ( -3.073 4.432 0.000) 5.393 19.614 ( -2.589 -0.383 0.000) 2.617 19.896 ( 2.117 8.155 0.000) 8.425 20.020 ( 2.478 2.359 0.000) 3.422 20.039 ( 0.288 -4.910 0.000) 4.919 20.048 ( -1.570 0.026 0.000) 1.570 21.108 ( 3.122 2.566 0.000) 4.042 21.181 ( 0.563 -3.696 0.000) 3.739 21.194 ( -3.678 1.046 0.000) 3.824 21.261 ( -1.204 -1.050 0.000) 1.597 21.263 ( -3.520 -4.736 0.000) 5.901 21.332 ( 1.216 -7.754 0.000) 7.849 21.536 ( -12.765 1.126 0.000) 12.814 21.604 ( -12.531 -5.317 0.000) 13.613 ======================= Grid point 17 (12/36) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( -23.382 21.486 0.000) 31.755 2.958 ( 23.382 21.486 0.000) 31.755 3.108 ( -17.160 22.205 0.000) 28.063 3.108 ( 17.160 22.205 0.000) 28.063 3.433 ( -7.467 -18.690 0.000) 20.126 3.433 ( 7.467 -18.690 0.000) 20.126 3.614 ( -8.050 -21.518 0.000) 22.975 3.614 ( 8.050 -21.518 0.000) 22.975 4.060 ( -4.501 2.813 0.000) 5.307 4.060 ( 4.501 2.813 0.000) 5.307 4.143 ( -7.333 -1.208 0.000) 7.432 4.143 ( 7.333 -1.208 0.000) 7.432 4.282 ( -3.326 -0.531 0.000) 3.369 4.282 ( 3.326 -0.531 0.000) 3.369 4.301 ( -1.025 -0.922 0.000) 1.378 4.301 ( 1.025 -0.922 0.000) 1.378 4.379 ( -19.913 9.387 0.000) 22.015 4.379 ( 19.913 9.387 0.000) 22.015 4.618 ( -11.814 -8.767 0.000) 14.712 4.618 ( 11.814 -8.767 0.000) 14.712 4.940 ( -0.178 5.480 0.000) 5.482 4.940 ( 0.178 5.480 0.000) 5.482 5.040 ( -1.506 -2.717 0.000) 3.106 5.040 ( 1.506 -2.717 0.000) 3.106 6.026 ( -0.840 3.703 0.000) 3.797 6.026 ( 0.840 3.703 0.000) 3.797 6.085 ( -0.876 -1.123 0.000) 1.424 6.085 ( 0.876 -1.123 0.000) 1.424 6.408 ( -3.216 -1.706 0.000) 3.640 6.408 ( 3.216 -1.706 0.000) 3.640 6.426 ( -3.840 -3.024 0.000) 4.888 6.426 ( 3.840 -3.024 0.000) 4.888 6.818 ( -1.662 5.403 0.000) 5.653 6.818 ( 1.662 5.403 0.000) 5.653 6.925 ( -2.709 -0.910 0.000) 2.858 6.925 ( 2.709 -0.910 0.000) 2.858 7.113 ( -6.964 0.529 0.000) 6.984 7.113 ( 6.964 0.529 0.000) 6.984 7.181 ( -4.061 -2.217 0.000) 4.627 7.181 ( 4.061 -2.217 0.000) 4.627 7.342 ( -2.204 5.630 0.000) 6.047 7.342 ( 2.204 5.630 0.000) 6.047 7.446 ( -0.862 -3.757 0.000) 3.855 7.446 ( 0.862 -3.757 0.000) 3.855 7.632 ( -6.410 3.814 0.000) 7.459 7.632 ( 6.410 3.814 0.000) 7.459 7.737 ( -0.852 -5.430 0.000) 5.497 7.737 ( 0.852 -5.430 0.000) 5.497 8.074 ( -2.631 3.706 0.000) 4.545 8.074 ( 2.631 3.706 0.000) 4.545 8.094 ( -3.132 5.466 0.000) 6.300 8.094 ( 3.132 5.466 0.000) 6.300 8.212 ( -0.303 -0.941 0.000) 0.988 8.212 ( 0.303 -0.941 0.000) 0.988 8.283 ( -0.092 -2.495 0.000) 2.497 8.283 ( 0.092 -2.495 0.000) 2.497 8.531 ( -3.499 2.188 0.000) 4.127 8.531 ( 3.499 2.188 0.000) 4.127 8.636 ( -0.666 0.592 0.000) 0.892 8.636 ( 0.666 0.592 0.000) 0.892 8.809 ( -1.564 -1.853 0.000) 2.425 8.809 ( 1.564 -1.853 0.000) 2.425 8.866 ( -3.600 3.558 0.000) 5.061 8.866 ( 3.600 3.558 0.000) 5.061 8.949 ( -0.154 0.129 0.000) 0.201 8.949 ( 0.154 0.129 0.000) 0.201 9.173 ( -3.255 -5.194 0.000) 6.130 9.173 ( 3.255 -5.194 0.000) 6.130 9.188 ( -4.397 -0.219 0.000) 4.403 9.188 ( 4.397 -0.219 0.000) 4.403 9.204 ( -4.041 -3.147 0.000) 5.122 9.204 ( 4.041 -3.147 0.000) 5.122 9.412 ( -1.588 0.249 0.000) 1.607 9.412 ( 1.588 0.249 0.000) 1.607 9.426 ( -2.953 -0.848 0.000) 3.072 9.426 ( 2.953 -0.848 0.000) 3.072 9.588 ( -2.988 6.542 0.000) 7.192 9.588 ( 2.988 6.542 0.000) 7.192 9.712 ( -6.912 -3.695 0.000) 7.838 9.712 ( 6.912 -3.695 0.000) 7.838 9.874 ( -4.875 3.920 0.000) 6.256 9.874 ( 4.875 3.920 0.000) 6.256 9.959 ( -0.849 -1.096 0.000) 1.386 9.959 ( 0.849 -1.096 0.000) 1.386 10.012 ( -9.066 3.651 0.000) 9.774 10.012 ( 9.066 3.651 0.000) 9.774 10.158 ( -4.779 -3.133 0.000) 5.714 10.158 ( 4.779 -3.133 0.000) 5.714 10.247 ( -7.605 -6.610 0.000) 10.077 10.247 ( 7.605 -6.610 0.000) 10.077 10.265 ( -12.426 -3.776 0.000) 12.987 10.265 ( 12.426 -3.776 0.000) 12.987 10.418 ( -0.213 3.983 0.000) 3.989 10.418 ( 0.213 3.983 0.000) 3.989 10.565 ( -1.114 -6.967 0.000) 7.055 10.565 ( 1.114 -6.967 0.000) 7.055 10.855 ( -0.905 1.038 0.000) 1.377 10.855 ( 0.905 1.038 0.000) 1.377 10.892 ( -4.590 -0.182 0.000) 4.593 10.892 ( 4.590 -0.182 0.000) 4.593 11.038 ( -1.156 3.196 0.000) 3.399 11.038 ( 1.156 3.196 0.000) 3.399 11.088 ( -1.976 0.436 0.000) 2.023 11.088 ( 1.976 0.436 0.000) 2.023 11.175 ( -0.179 4.564 0.000) 4.567 11.175 ( 0.179 4.564 0.000) 4.567 11.256 ( -3.937 -3.201 0.000) 5.075 11.256 ( 3.937 -3.201 0.000) 5.075 11.395 ( -7.350 0.976 0.000) 7.415 11.395 ( 7.350 0.976 0.000) 7.415 11.511 ( -6.996 -6.699 0.000) 9.686 11.511 ( 6.996 -6.699 0.000) 9.686 11.833 ( -1.850 6.157 0.000) 6.429 11.833 ( 1.850 6.157 0.000) 6.429 11.874 ( -1.467 9.765 0.000) 9.875 11.874 ( 1.467 9.765 0.000) 9.875 11.937 ( -0.073 -0.982 0.000) 0.985 11.937 ( 0.073 -0.982 0.000) 0.985 12.050 ( -4.105 -3.927 0.000) 5.681 12.050 ( 4.105 -3.927 0.000) 5.681 12.301 ( -4.792 1.946 0.000) 5.172 12.301 ( 4.792 1.946 0.000) 5.172 12.364 ( -2.828 -4.149 0.000) 5.021 12.364 ( 2.828 -4.149 0.000) 5.021 12.427 ( -1.139 2.194 0.000) 2.472 12.427 ( 1.139 2.194 0.000) 2.472 12.503 ( -0.238 -3.755 0.000) 3.763 12.503 ( 0.238 -3.755 0.000) 3.763 12.703 ( -1.902 3.019 0.000) 3.568 12.703 ( 1.902 3.019 0.000) 3.568 12.775 ( -4.039 -3.658 0.000) 5.449 12.775 ( 4.039 -3.658 0.000) 5.449 12.842 ( -2.309 0.255 0.000) 2.323 12.842 ( 2.309 0.255 0.000) 2.323 12.876 ( -2.329 -2.565 0.000) 3.464 12.876 ( 2.329 -2.565 0.000) 3.464 13.099 ( -1.109 5.145 0.000) 5.263 13.099 ( 1.109 5.145 0.000) 5.263 13.200 ( -0.342 -3.433 0.000) 3.450 13.200 ( 0.342 -3.433 0.000) 3.450 13.412 ( -0.264 6.156 0.000) 6.162 13.412 ( 0.264 6.156 0.000) 6.162 13.506 ( -2.857 2.694 0.000) 3.927 13.506 ( 2.857 2.694 0.000) 3.927 13.550 ( -3.123 -5.998 0.000) 6.762 13.550 ( 3.123 -5.998 0.000) 6.762 13.602 ( -1.229 -5.932 0.000) 6.058 13.602 ( 1.229 -5.932 0.000) 6.058 13.968 ( -2.981 2.711 0.000) 4.029 13.968 ( 2.981 2.711 0.000) 4.029 13.984 ( -1.144 2.404 0.000) 2.662 13.984 ( 1.144 2.404 0.000) 2.662 14.173 ( -2.503 2.840 0.000) 3.786 14.173 ( 2.503 2.840 0.000) 3.786 14.252 ( -3.453 0.781 0.000) 3.540 14.252 ( 3.453 0.781 0.000) 3.540 14.459 ( -2.571 3.519 0.000) 4.358 14.459 ( 2.571 3.519 0.000) 4.358 14.585 ( -0.904 -2.578 0.000) 2.732 14.585 ( 0.904 -2.578 0.000) 2.732 14.870 ( -0.225 1.353 0.000) 1.371 14.870 ( 0.225 1.353 0.000) 1.371 14.964 ( -3.130 -5.459 0.000) 6.292 14.964 ( 3.130 -5.459 0.000) 6.292 15.203 ( -2.679 3.855 0.000) 4.694 15.203 ( 2.679 3.855 0.000) 4.694 15.317 ( -6.008 -7.227 0.000) 9.398 15.317 ( 6.008 -7.227 0.000) 9.398 15.524 ( -4.225 2.695 0.000) 5.011 15.524 ( 4.225 2.695 0.000) 5.011 15.624 ( -0.665 -5.662 0.000) 5.701 15.624 ( 0.665 -5.662 0.000) 5.701 15.796 ( -0.002 -0.743 0.000) 0.743 15.796 ( 0.002 -0.743 0.000) 0.743 15.832 ( -3.856 -3.825 0.000) 5.431 15.832 ( 3.856 -3.825 0.000) 5.431 16.140 ( -7.473 4.815 0.000) 8.889 16.140 ( 7.473 4.815 0.000) 8.889 16.251 ( -5.558 -5.070 0.000) 7.523 16.251 ( 5.558 -5.070 0.000) 7.523 16.423 ( -3.608 5.739 0.000) 6.779 16.423 ( 3.608 5.739 0.000) 6.779 16.496 ( -2.549 1.698 0.000) 3.063 16.496 ( 2.549 1.698 0.000) 3.063 16.622 ( -6.155 -1.582 0.000) 6.355 16.622 ( 6.155 -1.582 0.000) 6.355 16.657 ( -5.428 -2.990 0.000) 6.197 16.657 ( 5.428 -2.990 0.000) 6.197 16.790 ( -2.610 2.726 0.000) 3.774 16.790 ( 2.610 2.726 0.000) 3.774 16.846 ( -2.228 -1.912 0.000) 2.935 16.846 ( 2.228 -1.912 0.000) 2.935 17.121 ( -5.655 5.320 0.000) 7.764 17.121 ( 5.655 5.320 0.000) 7.764 17.177 ( -2.172 4.144 0.000) 4.678 17.177 ( 2.172 4.144 0.000) 4.678 17.262 ( -4.702 -1.688 0.000) 4.996 17.262 ( 4.702 -1.688 0.000) 4.996 17.341 ( -3.638 -4.543 0.000) 5.820 17.341 ( 3.638 -4.543 0.000) 5.820 17.448 ( -2.165 6.265 0.000) 6.629 17.448 ( 2.165 6.265 0.000) 6.629 17.497 ( -1.577 1.557 0.000) 2.216 17.497 ( 1.577 1.557 0.000) 2.216 17.702 ( -7.203 3.995 0.000) 8.237 17.702 ( 7.203 3.995 0.000) 8.237 17.803 ( -0.236 -6.146 0.000) 6.151 17.803 ( 0.236 -6.146 0.000) 6.151 17.811 ( -0.511 3.950 0.000) 3.983 17.811 ( 0.511 3.950 0.000) 3.983 17.951 ( -0.310 -6.280 0.000) 6.287 17.951 ( 0.310 -6.280 0.000) 6.287 18.107 ( -1.368 5.043 0.000) 5.225 18.107 ( 1.368 5.043 0.000) 5.225 18.219 ( -5.229 -3.647 0.000) 6.376 18.219 ( 5.229 -3.647 0.000) 6.376 18.428 ( -7.668 2.842 0.000) 8.178 18.428 ( 7.668 2.842 0.000) 8.178 18.522 ( -4.886 -4.055 0.000) 6.349 18.522 ( 4.886 -4.055 0.000) 6.349 18.960 ( -10.580 3.854 0.000) 11.260 18.960 ( 10.580 3.854 0.000) 11.260 19.010 ( -8.886 0.772 0.000) 8.919 19.010 ( 8.886 0.772 0.000) 8.919 19.450 ( -7.702 2.649 0.000) 8.145 19.450 ( 7.702 2.649 0.000) 8.145 19.494 ( -8.940 -0.908 0.000) 8.986 19.494 ( 8.940 -0.908 0.000) 8.986 19.977 ( -4.866 4.246 0.000) 6.458 19.977 ( 4.866 4.246 0.000) 6.458 20.053 ( -0.196 -2.461 0.000) 2.468 20.053 ( 0.196 -2.461 0.000) 2.468 21.151 ( -1.410 0.959 0.000) 1.705 21.151 ( 1.410 0.959 0.000) 1.705 21.209 ( -2.050 -3.256 0.000) 3.848 21.209 ( 2.050 -3.256 0.000) 3.848 21.324 ( -8.914 0.675 0.000) 8.939 21.324 ( 8.914 0.675 0.000) 8.939 21.410 ( -7.702 -7.654 0.000) 10.858 21.410 ( 7.702 -7.654 0.000) 10.858 ======================= Grid point 35 (13/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 0.000 0.000 42.335) 42.335 0.972 ( 0.000 0.000 43.559) 43.559 1.563 ( 0.000 0.000 68.803) 68.803 3.276 ( 0.000 0.000 -18.954) 18.954 3.406 ( 0.000 0.000 -29.243) 29.243 3.855 ( 0.000 0.000 2.701) 2.701 3.945 ( 0.000 0.000 2.978) 2.978 4.040 ( 0.000 0.000 0.109) 0.109 4.046 ( 0.000 0.000 5.733) 5.733 4.191 ( 0.000 0.000 0.711) 0.711 4.199 ( 0.000 0.000 -3.818) 3.818 4.233 ( 0.000 0.000 0.548) 0.548 4.393 ( 0.000 0.000 1.241) 1.241 4.398 ( 0.000 0.000 1.292) 1.292 4.492 ( 0.000 0.000 -3.319) 3.319 4.498 ( 0.000 0.000 -0.675) 0.675 4.615 ( 0.000 0.000 -5.693) 5.693 4.620 ( 0.000 0.000 4.314) 4.314 4.639 ( 0.000 0.000 8.339) 8.339 4.785 ( 0.000 0.000 1.072) 1.072 4.829 ( 0.000 0.000 -2.847) 2.847 4.959 ( 0.000 0.000 0.846) 0.846 4.985 ( 0.000 0.000 -3.501) 3.501 5.104 ( 0.000 0.000 -0.649) 0.649 5.830 ( 0.000 0.000 2.728) 2.728 5.870 ( 0.000 0.000 6.918) 6.918 5.950 ( 0.000 0.000 4.749) 4.749 6.046 ( 0.000 0.000 0.041) 0.041 6.181 ( 0.000 0.000 7.367) 7.367 6.393 ( 0.000 0.000 -3.930) 3.930 6.403 ( 0.000 0.000 -4.762) 4.762 6.661 ( 0.000 0.000 -1.497) 1.497 6.671 ( 0.000 0.000 9.528) 9.528 6.729 ( 0.000 0.000 -6.569) 6.569 6.764 ( 0.000 0.000 1.191) 1.191 6.840 ( 0.000 0.000 1.228) 1.228 6.859 ( 0.000 0.000 -12.901) 12.901 7.017 ( 0.000 0.000 4.364) 4.364 7.218 ( 0.000 0.000 14.293) 14.293 7.280 ( 0.000 0.000 -7.591) 7.591 7.334 ( 0.000 0.000 -9.275) 9.275 7.334 ( 0.000 0.000 -10.923) 10.923 7.400 ( 0.000 0.000 0.289) 0.289 7.638 ( 0.000 0.000 6.485) 6.485 7.646 ( 0.000 0.000 -4.139) 4.139 7.702 ( 0.000 0.000 5.404) 5.404 7.755 ( 0.000 0.000 1.560) 1.560 7.799 ( 0.000 0.000 -5.262) 5.262 7.859 ( 0.000 0.000 -1.960) 1.960 8.012 ( 0.000 0.000 4.786) 4.786 8.036 ( 0.000 0.000 -5.638) 5.638 8.089 ( 0.000 0.000 -5.168) 5.168 8.168 ( 0.000 0.000 -1.706) 1.706 8.191 ( 0.000 0.000 -6.072) 6.072 8.381 ( 0.000 0.000 -1.089) 1.089 8.513 ( 0.000 0.000 0.159) 0.159 8.550 ( 0.000 0.000 6.339) 6.339 8.614 ( 0.000 0.000 1.035) 1.035 8.671 ( 0.000 0.000 -9.555) 9.555 8.691 ( 0.000 0.000 -4.515) 4.515 8.726 ( 0.000 0.000 -1.351) 1.351 8.813 ( 0.000 0.000 0.723) 0.723 8.880 ( 0.000 0.000 1.603) 1.603 8.945 ( 0.000 0.000 -2.855) 2.855 8.956 ( 0.000 0.000 1.199) 1.199 8.981 ( 0.000 0.000 0.177) 0.177 9.127 ( 0.000 0.000 -2.505) 2.505 9.145 ( 0.000 0.000 -1.931) 1.931 9.163 ( 0.000 0.000 5.257) 5.257 9.179 ( 0.000 0.000 -2.273) 2.273 9.206 ( 0.000 0.000 -3.137) 3.137 9.271 ( 0.000 0.000 9.221) 9.221 9.310 ( 0.000 0.000 -4.195) 4.195 9.425 ( 0.000 0.000 4.811) 4.811 9.482 ( 0.000 0.000 3.504) 3.504 9.525 ( 0.000 0.000 7.606) 7.606 9.624 ( 0.000 0.000 5.008) 5.008 9.643 ( 0.000 0.000 9.416) 9.416 9.669 ( 0.000 0.000 -2.282) 2.282 9.669 ( 0.000 0.000 -6.864) 6.864 9.693 ( 0.000 0.000 8.715) 8.715 9.716 ( 0.000 0.000 6.517) 6.517 9.896 ( 0.000 0.000 1.698) 1.698 9.928 ( 0.000 0.000 -2.278) 2.278 10.018 ( 0.000 0.000 3.695) 3.695 10.060 ( 0.000 0.000 -1.576) 1.576 10.185 ( 0.000 0.000 1.481) 1.481 10.236 ( 0.000 0.000 -0.417) 0.417 10.283 ( 0.000 0.000 -6.270) 6.270 10.326 ( 0.000 0.000 2.660) 2.660 10.405 ( 0.000 0.000 -4.800) 4.800 10.447 ( 0.000 0.000 -3.459) 3.459 10.473 ( 0.000 0.000 6.514) 6.514 10.526 ( 0.000 0.000 6.952) 6.952 10.543 ( 0.000 0.000 0.328) 0.328 10.696 ( 0.000 0.000 -3.311) 3.311 10.743 ( 0.000 0.000 -0.062) 0.062 10.799 ( 0.000 0.000 2.167) 2.167 10.868 ( 0.000 0.000 -3.061) 3.061 10.879 ( 0.000 0.000 -3.313) 3.313 10.898 ( 0.000 0.000 4.109) 4.109 10.900 ( 0.000 0.000 -2.024) 2.024 11.034 ( 0.000 0.000 -3.022) 3.022 11.051 ( 0.000 0.000 1.619) 1.619 11.092 ( 0.000 0.000 0.786) 0.786 11.191 ( 0.000 0.000 -4.099) 4.099 11.280 ( 0.000 0.000 4.051) 4.051 11.321 ( 0.000 0.000 6.760) 6.760 11.432 ( 0.000 0.000 -10.588) 10.588 11.560 ( 0.000 0.000 -4.631) 4.631 11.577 ( 0.000 0.000 -2.271) 2.271 11.663 ( 0.000 0.000 -5.343) 5.343 11.677 ( 0.000 0.000 0.502) 0.502 11.706 ( 0.000 0.000 -7.209) 7.209 11.809 ( 0.000 0.000 0.034) 0.034 11.931 ( 0.000 0.000 2.445) 2.445 11.937 ( 0.000 0.000 -5.724) 5.724 12.157 ( 0.000 0.000 -0.944) 0.944 12.158 ( 0.000 0.000 4.568) 4.568 12.286 ( 0.000 0.000 1.877) 1.877 12.300 ( 0.000 0.000 0.013) 0.013 12.302 ( 0.000 0.000 6.602) 6.602 12.310 ( 0.000 0.000 -12.350) 12.350 12.482 ( 0.000 0.000 -3.550) 3.550 12.488 ( 0.000 0.000 5.311) 5.311 12.524 ( 0.000 0.000 -6.852) 6.852 12.528 ( 0.000 0.000 -0.087) 0.087 12.571 ( 0.000 0.000 -0.674) 0.674 12.701 ( 0.000 0.000 4.888) 4.888 12.723 ( 0.000 0.000 3.282) 3.282 12.787 ( 0.000 0.000 0.740) 0.740 12.799 ( 0.000 0.000 3.366) 3.366 12.805 ( 0.000 0.000 1.636) 1.636 12.848 ( 0.000 0.000 5.454) 5.454 12.866 ( 0.000 0.000 1.886) 1.886 12.908 ( 0.000 0.000 2.888) 2.888 13.046 ( 0.000 0.000 -3.175) 3.175 13.100 ( 0.000 0.000 -0.654) 0.654 13.138 ( 0.000 0.000 -0.999) 0.999 13.198 ( 0.000 0.000 3.733) 3.733 13.328 ( 0.000 0.000 -9.223) 9.223 13.354 ( 0.000 0.000 0.215) 0.215 13.420 ( 0.000 0.000 2.287) 2.287 13.435 ( 0.000 0.000 4.800) 4.800 13.448 ( 0.000 0.000 -5.790) 5.790 13.489 ( 0.000 0.000 -3.587) 3.587 13.700 ( 0.000 0.000 -3.421) 3.421 13.802 ( 0.000 0.000 -2.676) 2.676 13.900 ( 0.000 0.000 5.680) 5.680 13.948 ( 0.000 0.000 -0.282) 0.282 14.024 ( 0.000 0.000 5.056) 5.056 14.072 ( 0.000 0.000 -2.584) 2.584 14.156 ( 0.000 0.000 -4.920) 4.920 14.174 ( 0.000 0.000 0.314) 0.314 14.324 ( 0.000 0.000 -0.874) 0.874 14.337 ( 0.000 0.000 -9.248) 9.248 14.392 ( 0.000 0.000 -0.537) 0.537 14.439 ( 0.000 0.000 -1.192) 1.192 14.526 ( 0.000 0.000 -3.180) 3.180 14.576 ( 0.000 0.000 1.634) 1.634 14.578 ( 0.000 0.000 -4.263) 4.263 14.591 ( 0.000 0.000 2.512) 2.512 14.920 ( 0.000 0.000 -6.277) 6.277 14.973 ( 0.000 0.000 -2.344) 2.344 15.140 ( 0.000 0.000 4.310) 4.310 15.175 ( 0.000 0.000 12.901) 12.901 15.229 ( 0.000 0.000 6.600) 6.600 15.423 ( 0.000 0.000 -3.192) 3.192 15.501 ( 0.000 0.000 -0.585) 0.585 15.501 ( 0.000 0.000 -1.712) 1.712 15.595 ( 0.000 0.000 -3.412) 3.412 15.783 ( 0.000 0.000 8.123) 8.123 15.837 ( 0.000 0.000 -4.435) 4.435 15.845 ( 0.000 0.000 6.274) 6.274 15.859 ( 0.000 0.000 3.839) 3.839 15.958 ( 0.000 0.000 -0.749) 0.749 16.005 ( 0.000 0.000 2.444) 2.444 16.055 ( 0.000 0.000 2.343) 2.343 16.228 ( 0.000 0.000 2.814) 2.814 16.247 ( 0.000 0.000 -5.679) 5.679 16.278 ( 0.000 0.000 0.392) 0.392 16.306 ( 0.000 0.000 -0.252) 0.252 16.352 ( 0.000 0.000 -5.421) 5.421 16.567 ( 0.000 0.000 -4.090) 4.090 16.599 ( 0.000 0.000 -7.642) 7.642 16.607 ( 0.000 0.000 -13.346) 13.346 16.635 ( 0.000 0.000 0.465) 0.465 16.709 ( 0.000 0.000 12.375) 12.375 16.777 ( 0.000 0.000 -1.743) 1.743 16.781 ( 0.000 0.000 7.807) 7.807 16.926 ( 0.000 0.000 -3.922) 3.922 17.029 ( 0.000 0.000 7.167) 7.167 17.052 ( 0.000 0.000 1.642) 1.642 17.065 ( 0.000 0.000 5.630) 5.630 17.119 ( 0.000 0.000 -6.092) 6.092 17.198 ( 0.000 0.000 -1.169) 1.169 17.261 ( 0.000 0.000 -5.045) 5.045 17.311 ( 0.000 0.000 -0.814) 0.814 17.322 ( 0.000 0.000 1.030) 1.030 17.330 ( 0.000 0.000 -1.333) 1.333 17.401 ( 0.000 0.000 -4.448) 4.448 17.456 ( 0.000 0.000 15.190) 15.190 17.508 ( 0.000 0.000 -1.375) 1.375 17.516 ( 0.000 0.000 -0.863) 0.863 17.517 ( 0.000 0.000 -0.829) 0.829 17.582 ( 0.000 0.000 10.873) 10.873 17.614 ( 0.000 0.000 2.558) 2.558 17.739 ( 0.000 0.000 -5.847) 5.847 17.768 ( 0.000 0.000 2.594) 2.594 17.836 ( 0.000 0.000 -8.806) 8.806 17.867 ( 0.000 0.000 4.726) 4.726 18.033 ( 0.000 0.000 5.252) 5.252 18.099 ( 0.000 0.000 12.409) 12.409 18.193 ( 0.000 0.000 2.867) 2.867 18.307 ( 0.000 0.000 4.530) 4.530 18.325 ( 0.000 0.000 -4.097) 4.097 18.370 ( 0.000 0.000 -5.012) 5.012 18.557 ( 0.000 0.000 0.289) 0.289 18.564 ( 0.000 0.000 4.987) 4.987 18.608 ( 0.000 0.000 -0.729) 0.729 18.698 ( 0.000 0.000 3.361) 3.361 18.873 ( 0.000 0.000 -4.327) 4.327 18.879 ( 0.000 0.000 1.783) 1.783 19.082 ( 0.000 0.000 -1.558) 1.558 19.282 ( 0.000 0.000 -2.669) 2.669 19.395 ( 0.000 0.000 1.342) 1.342 19.421 ( 0.000 0.000 -8.289) 8.289 19.458 ( 0.000 0.000 -1.560) 1.560 19.595 ( 0.000 0.000 9.367) 9.367 19.686 ( 0.000 0.000 3.123) 3.123 20.169 ( 0.000 0.000 3.431) 3.431 20.178 ( 0.000 0.000 1.683) 1.683 20.972 ( 0.000 0.000 -0.762) 0.762 21.258 ( 0.000 0.000 -7.424) 7.424 21.438 ( 0.000 0.000 -0.179) 0.179 21.445 ( 0.000 0.000 -0.899) 0.899 21.472 ( 0.000 0.000 -3.216) 3.216 21.630 ( 0.000 0.000 -0.558) 0.558 21.724 ( 0.000 0.000 -6.752) 6.752 21.878 ( 0.000 0.000 -4.797) 4.797 ======================= Grid point 36 (14/36) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 28.827 0.000 32.844) 43.701 1.406 ( 34.039 0.000 32.394) 46.990 1.948 ( 42.373 0.000 48.876) 64.687 3.334 ( 4.597 0.000 -15.824) 16.478 3.461 ( 3.648 0.000 -24.369) 24.640 3.747 ( -14.961 0.000 2.313) 15.139 3.826 ( -19.564 0.000 2.672) 19.745 3.908 ( 2.212 0.000 4.373) 4.900 4.107 ( 5.126 0.000 2.638) 5.765 4.121 ( -6.207 0.000 -3.479) 7.115 4.179 ( -1.521 0.000 -1.291) 1.995 4.205 ( -0.393 0.000 -1.851) 1.892 4.373 ( -6.654 0.000 2.930) 7.270 4.375 ( -1.903 0.000 3.335) 3.839 4.476 ( 2.250 0.000 -1.346) 2.622 4.563 ( 3.438 0.000 -1.790) 3.876 4.585 ( -0.457 0.000 1.950) 2.002 4.632 ( 3.158 0.000 -5.484) 6.328 4.684 ( 2.231 0.000 -3.844) 4.444 4.814 ( -6.608 0.000 -2.015) 6.909 4.857 ( 3.051 0.000 2.898) 4.208 4.901 ( -0.824 0.000 1.292) 1.533 4.943 ( -2.048 0.000 1.206) 2.377 5.077 ( -5.321 0.000 -0.321) 5.331 5.865 ( 3.823 0.000 2.987) 4.852 5.935 ( 4.517 0.000 5.079) 6.797 5.985 ( 2.958 0.000 3.835) 4.843 6.008 ( -3.205 0.000 3.252) 4.566 6.225 ( 7.859 0.000 3.722) 8.696 6.336 ( -2.920 0.000 -3.878) 4.854 6.556 ( 13.376 0.000 -1.885) 13.508 6.611 ( -6.934 0.000 -2.490) 7.367 6.688 ( 2.583 0.000 2.539) 3.622 6.696 ( -1.592 0.000 -0.854) 1.807 6.850 ( 1.315 0.000 0.167) 1.326 6.888 ( 7.418 0.000 2.927) 7.974 6.910 ( 3.695 0.000 -4.684) 5.965 7.038 ( 0.527 0.000 -8.104) 8.121 7.130 ( -10.911 0.000 -7.835) 13.433 7.173 ( -6.547 0.000 -2.044) 6.859 7.227 ( 1.913 0.000 9.083) 9.283 7.318 ( -2.014 0.000 -5.965) 6.296 7.512 ( 0.876 0.000 1.616) 1.838 7.618 ( -7.207 0.000 3.839) 8.165 7.635 ( -0.742 0.000 2.123) 2.249 7.689 ( 4.918 0.000 5.619) 7.468 7.742 ( -1.179 0.000 -0.442) 1.259 7.797 ( 1.322 0.000 -1.084) 1.710 7.848 ( -0.876 0.000 -1.468) 1.709 8.014 ( 0.707 0.000 -8.644) 8.672 8.069 ( -0.131 0.000 5.042) 5.043 8.132 ( 3.620 0.000 -4.524) 5.794 8.148 ( -4.099 0.000 -7.388) 8.449 8.211 ( 4.218 0.000 -3.183) 5.285 8.320 ( -3.930 0.000 1.669) 4.269 8.493 ( -4.819 0.000 -1.101) 4.944 8.496 ( -4.272 0.000 3.093) 5.274 8.571 ( -4.399 0.000 2.075) 4.863 8.661 ( 1.974 0.000 -6.825) 7.104 8.685 ( -4.378 0.000 0.622) 4.422 8.789 ( 4.249 0.000 0.545) 4.284 8.809 ( 2.608 0.000 -8.299) 8.699 8.930 ( -3.384 0.000 -0.212) 3.390 8.938 ( 0.212 0.000 -4.241) 4.247 8.961 ( 0.702 0.000 4.078) 4.138 8.989 ( 7.927 0.000 -2.215) 8.231 9.057 ( -7.913 0.000 2.587) 8.325 9.087 ( -4.256 0.000 1.296) 4.448 9.165 ( 0.883 0.000 1.761) 1.970 9.253 ( 5.566 0.000 -2.840) 6.248 9.279 ( 8.796 0.000 -3.607) 9.507 9.354 ( 2.346 0.000 -3.305) 4.053 9.355 ( 5.481 0.000 5.109) 7.493 9.405 ( -1.137 0.000 5.948) 6.056 9.468 ( -1.603 0.000 3.635) 3.973 9.486 ( -0.464 0.000 3.256) 3.289 9.586 ( -3.541 0.000 5.401) 6.458 9.637 ( 0.454 0.000 5.052) 5.072 9.647 ( 1.608 0.000 3.890) 4.210 9.668 ( -1.335 0.000 -2.209) 2.581 9.691 ( -0.150 0.000 5.475) 5.477 9.827 ( 4.506 0.000 0.999) 4.615 9.870 ( -4.460 0.000 1.211) 4.622 9.906 ( -0.096 0.000 3.201) 3.202 9.959 ( -5.463 0.000 1.214) 5.596 10.027 ( 1.947 0.000 0.650) 2.052 10.146 ( -8.486 0.000 -0.471) 8.499 10.199 ( 4.018 0.000 5.776) 7.036 10.274 ( -1.205 0.000 -3.040) 3.270 10.374 ( -4.842 0.000 -4.468) 6.588 10.406 ( 3.923 0.000 3.009) 4.944 10.492 ( 5.652 0.000 -6.350) 8.501 10.506 ( 3.697 0.000 0.180) 3.702 10.579 ( 3.718 0.000 2.121) 4.280 10.611 ( 3.493 0.000 -3.041) 4.631 10.689 ( 3.190 0.000 1.218) 3.415 10.716 ( -1.102 0.000 1.384) 1.770 10.809 ( -5.229 0.000 -3.062) 6.060 10.859 ( -1.448 0.000 -3.370) 3.668 10.885 ( 0.351 0.000 -3.201) 3.220 10.953 ( 9.245 0.000 1.457) 9.359 10.957 ( 1.323 0.000 6.947) 7.072 11.032 ( 1.350 0.000 -0.972) 1.664 11.046 ( 0.415 0.000 0.743) 0.851 11.069 ( -0.842 0.000 -0.831) 1.183 11.184 ( 0.662 0.000 -1.939) 2.049 11.246 ( -3.530 0.000 1.592) 3.873 11.329 ( 1.209 0.000 5.764) 5.889 11.462 ( -2.625 0.000 -7.769) 8.201 11.465 ( -8.727 0.000 2.336) 9.035 11.563 ( 3.043 0.000 -5.101) 5.940 11.617 ( -1.097 0.000 -1.681) 2.007 11.660 ( -3.021 0.000 -3.089) 4.320 11.743 ( 3.551 0.000 -2.961) 4.623 11.823 ( -9.535 0.000 0.639) 9.556 11.877 ( 5.387 0.000 1.357) 5.555 11.929 ( -0.651 0.000 1.036) 1.224 12.052 ( -8.849 0.000 0.588) 8.869 12.074 ( -9.646 0.000 0.291) 9.650 12.147 ( -6.270 0.000 2.925) 6.919 12.225 ( -5.066 0.000 4.232) 6.601 12.284 ( -2.175 0.000 0.142) 2.180 12.380 ( 2.410 0.000 -5.568) 6.067 12.411 ( 3.791 0.000 4.582) 5.947 12.439 ( -3.523 0.000 -8.054) 8.791 12.523 ( -0.086 0.000 -5.328) 5.329 12.582 ( -1.560 0.000 1.729) 2.328 12.648 ( 6.918 0.000 1.605) 7.102 12.693 ( 0.436 0.000 0.935) 1.032 12.729 ( 0.958 0.000 3.188) 3.329 12.745 ( -0.823 0.000 3.411) 3.509 12.795 ( -1.549 0.000 2.389) 2.847 12.828 ( -0.984 0.000 4.766) 4.867 12.895 ( 2.361 0.000 0.950) 2.545 12.903 ( 1.426 0.000 -2.254) 2.667 12.974 ( 2.845 0.000 -0.570) 2.902 13.016 ( -2.450 0.000 -1.059) 2.669 13.063 ( -4.199 0.000 1.052) 4.329 13.221 ( 7.624 0.000 -7.340) 10.583 13.256 ( -3.710 0.000 -6.514) 7.497 13.312 ( 7.059 0.000 -0.631) 7.087 13.354 ( -6.081 0.000 4.063) 7.314 13.411 ( -0.194 0.000 1.954) 1.963 13.423 ( 2.180 0.000 -0.984) 2.392 13.484 ( 1.548 0.000 -4.792) 5.036 13.513 ( 4.389 0.000 -3.110) 5.380 13.703 ( 1.129 0.000 -0.250) 1.157 13.773 ( -3.080 0.000 -3.164) 4.415 13.891 ( -5.897 0.000 -2.699) 6.485 13.929 ( -5.194 0.000 4.545) 6.902 13.964 ( 4.367 0.000 3.101) 5.356 14.038 ( -2.678 0.000 -2.367) 3.575 14.089 ( -3.659 0.000 2.929) 4.687 14.119 ( -2.867 0.000 -1.957) 3.471 14.290 ( -6.114 0.000 0.438) 6.130 14.387 ( 3.461 0.000 -0.936) 3.586 14.443 ( -3.456 0.000 -1.496) 3.766 14.484 ( 2.630 0.000 -0.648) 2.709 14.602 ( 1.987 0.000 2.484) 3.181 14.610 ( 6.526 0.000 -4.948) 8.190 14.652 ( 5.308 0.000 1.820) 5.611 14.771 ( 13.699 0.000 -16.112) 21.149 14.884 ( -2.483 0.000 -3.778) 4.520 14.999 ( 1.984 0.000 -2.879) 3.496 15.044 ( -3.755 0.000 4.560) 5.907 15.240 ( 1.102 0.000 9.951) 10.011 15.317 ( 8.720 0.000 -1.443) 8.838 15.438 ( 2.710 0.000 -0.477) 2.752 15.551 ( 4.581 0.000 -1.574) 4.844 15.553 ( 6.099 0.000 -2.031) 6.429 15.577 ( -1.663 0.000 -3.274) 3.672 15.786 ( -2.138 0.000 0.135) 2.143 15.820 ( 3.832 0.000 8.146) 9.002 15.850 ( -0.518 0.000 3.984) 4.017 15.936 ( 6.188 0.000 -1.944) 6.486 15.981 ( 1.984 0.000 -0.268) 2.002 16.043 ( 3.204 0.000 -4.380) 5.427 16.052 ( -1.457 0.000 1.893) 2.388 16.205 ( 0.644 0.000 2.942) 3.012 16.272 ( -0.338 0.000 1.346) 1.388 16.278 ( 1.981 0.000 -5.420) 5.771 16.343 ( -0.676 0.000 -5.931) 5.969 16.370 ( 3.681 0.000 0.722) 3.751 16.542 ( -1.606 0.000 -6.038) 6.248 16.544 ( -5.373 0.000 -3.344) 6.328 16.628 ( 0.447 0.000 -10.186) 10.196 16.628 ( -6.179 0.000 4.360) 7.563 16.666 ( 4.167 0.000 1.736) 4.514 16.744 ( -2.044 0.000 3.670) 4.201 16.822 ( 2.505 0.000 3.251) 4.104 16.898 ( -1.809 0.000 -2.012) 2.706 16.991 ( -3.020 0.000 8.245) 8.781 17.026 ( -3.646 0.000 4.379) 5.698 17.069 ( -1.979 0.000 -4.706) 5.105 17.138 ( 3.538 0.000 0.535) 3.578 17.149 ( -5.611 0.000 -2.293) 6.061 17.230 ( -2.764 0.000 -1.187) 3.008 17.310 ( -1.775 0.000 -0.152) 1.782 17.332 ( -0.586 0.000 0.767) 0.965 17.342 ( 0.677 0.000 -0.916) 1.139 17.391 ( -5.374 0.000 9.719) 11.106 17.420 ( 2.888 0.000 -4.783) 5.587 17.450 ( -2.489 0.000 7.462) 7.866 17.539 ( 1.609 0.000 1.865) 2.463 17.591 ( 2.858 0.000 6.884) 7.454 17.633 ( 9.059 0.000 -0.156) 9.060 17.677 ( 4.675 0.000 2.742) 5.420 17.747 ( 2.978 0.000 -2.704) 4.023 17.768 ( -0.934 0.000 -2.129) 2.324 17.836 ( -1.038 0.000 -0.357) 1.098 17.894 ( 2.423 0.000 0.112) 2.426 17.971 ( -4.596 0.000 7.161) 8.509 18.130 ( 0.176 0.000 5.576) 5.579 18.169 ( -4.422 0.000 12.848) 13.587 18.280 ( -0.085 0.000 -0.186) 0.205 18.291 ( 6.823 0.000 -1.060) 6.904 18.436 ( -5.976 0.000 2.788) 6.594 18.508 ( 7.933 0.000 -4.808) 9.276 18.537 ( -0.222 0.000 -2.322) 2.332 18.628 ( -0.097 0.000 2.536) 2.538 18.799 ( -7.601 0.000 -2.121) 7.891 18.823 ( 8.063 0.000 4.505) 9.236 18.962 ( 4.258 0.000 2.217) 4.801 19.018 ( -6.279 0.000 2.392) 6.719 19.222 ( -3.345 0.000 -6.060) 6.922 19.350 ( -0.751 0.000 -3.052) 3.143 19.442 ( 3.313 0.000 1.859) 3.800 19.502 ( 0.482 0.000 2.378) 2.426 19.619 ( 3.187 0.000 7.180) 7.856 19.750 ( 7.746 0.000 -0.131) 7.747 20.124 ( -3.869 0.000 3.003) 4.898 20.170 ( -0.851 0.000 1.252) 1.514 20.992 ( 2.420 0.000 -1.011) 2.623 21.217 ( -2.695 0.000 -5.397) 6.033 21.398 ( -3.859 0.000 -0.035) 3.859 21.405 ( -3.790 0.000 -1.124) 3.953 21.496 ( 1.583 0.000 -5.404) 5.631 21.560 ( -7.100 0.000 -0.925) 7.160 21.657 ( -6.979 0.000 -6.257) 9.374 21.835 ( -4.353 0.000 -8.755) 9.778 ======================= Grid point 37 (15/36) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 36.696 0.000 21.327) 42.444 2.011 ( 32.929 0.000 28.035) 43.247 2.912 ( 55.021 0.000 21.751) 59.164 3.176 ( -24.762 0.000 9.392) 26.483 3.210 ( -30.333 0.000 7.354) 31.212 3.648 ( 8.189 0.000 -14.742) 16.864 3.711 ( 7.044 0.000 -18.962) 20.228 3.962 ( 1.701 0.000 2.905) 3.366 3.998 ( -6.968 0.000 -7.575) 10.292 4.113 ( -2.937 0.000 -5.281) 6.043 4.204 ( -0.123 0.000 -1.478) 1.483 4.219 ( 2.104 0.000 0.680) 2.211 4.268 ( -4.345 0.000 4.465) 6.231 4.337 ( 0.744 0.000 1.037) 1.276 4.500 ( 1.753 0.000 -5.191) 5.479 4.543 ( -19.379 0.000 -0.074) 19.379 4.598 ( 0.081 0.000 -2.953) 2.955 4.647 ( 4.693 0.000 2.638) 5.383 4.699 ( 2.086 0.000 -2.068) 2.937 4.734 ( 4.225 0.000 -5.594) 7.010 4.855 ( -13.378 0.000 0.973) 13.414 4.889 ( -2.828 0.000 2.955) 4.090 4.905 ( 0.963 0.000 1.085) 1.451 4.913 ( -4.974 0.000 2.462) 5.550 5.962 ( 5.860 0.000 3.100) 6.629 5.968 ( -0.977 0.000 4.643) 4.744 5.975 ( 0.151 0.000 4.029) 4.032 6.032 ( 1.857 0.000 1.832) 2.609 6.330 ( 2.189 0.000 -5.336) 5.767 6.442 ( 12.850 0.000 2.342) 13.062 6.501 ( -4.239 0.000 -2.859) 5.113 6.670 ( -1.530 0.000 0.946) 1.799 6.714 ( 1.156 0.000 -6.967) 7.062 6.803 ( 5.096 0.000 -1.850) 5.422 6.836 ( -11.946 0.000 -3.490) 12.445 6.855 ( 3.523 0.000 -0.478) 3.555 6.947 ( -0.917 0.000 5.235) 5.315 6.994 ( -2.510 0.000 -2.716) 3.699 7.044 ( 11.374 0.000 -0.233) 11.377 7.200 ( -9.481 0.000 3.586) 10.137 7.288 ( 1.779 0.000 -0.581) 1.872 7.333 ( 15.295 0.000 -2.355) 15.475 7.474 ( -1.210 0.000 2.385) 2.674 7.569 ( -7.096 0.000 8.598) 11.148 7.569 ( 3.670 0.000 -4.733) 5.989 7.669 ( -6.131 0.000 -4.191) 7.426 7.812 ( 5.459 0.000 7.520) 9.292 7.847 ( 0.638 0.000 2.357) 2.442 7.859 ( 3.479 0.000 5.861) 6.815 7.938 ( -8.740 0.000 -9.061) 12.589 8.025 ( -5.435 0.000 3.922) 6.702 8.081 ( -0.020 0.000 -4.123) 4.123 8.184 ( 1.672 0.000 -1.229) 2.075 8.239 ( -3.148 0.000 0.991) 3.301 8.308 ( 1.144 0.000 0.814) 1.404 8.370 ( -5.319 0.000 -2.616) 5.927 8.451 ( -2.329 0.000 -0.521) 2.387 8.500 ( -3.039 0.000 -1.258) 3.289 8.598 ( -0.072 0.000 -0.893) 0.896 8.703 ( 1.492 0.000 -0.858) 1.721 8.765 ( -3.281 0.000 -1.019) 3.435 8.826 ( -3.449 0.000 2.606) 4.323 8.894 ( -9.207 0.000 -1.199) 9.284 8.903 ( -2.202 0.000 -3.077) 3.784 8.999 ( 6.314 0.000 -4.149) 7.556 9.007 ( 4.957 0.000 -6.837) 8.445 9.062 ( 4.504 0.000 7.259) 8.543 9.149 ( 7.018 0.000 -5.639) 9.002 9.202 ( 3.432 0.000 2.828) 4.447 9.285 ( -6.336 0.000 1.530) 6.518 9.304 ( -4.578 0.000 -5.282) 6.990 9.350 ( 4.141 0.000 0.759) 4.210 9.424 ( 0.715 0.000 3.621) 3.691 9.454 ( 0.847 0.000 0.983) 1.298 9.491 ( -7.014 0.000 4.477) 8.321 9.497 ( 1.404 0.000 3.132) 3.432 9.543 ( 7.480 0.000 5.187) 9.103 9.657 ( 0.786 0.000 5.810) 5.863 9.674 ( 4.362 0.000 -0.884) 4.451 9.696 ( 3.185 0.000 4.130) 5.215 9.708 ( 2.493 0.000 4.255) 4.932 9.823 ( -0.972 0.000 3.245) 3.387 9.844 ( -2.986 0.000 0.232) 2.995 9.872 ( 0.882 0.000 -0.042) 0.883 9.972 ( -8.744 0.000 -0.847) 8.785 9.980 ( 4.519 0.000 -0.085) 4.520 10.093 ( 4.928 0.000 -3.824) 6.237 10.246 ( -1.881 0.000 -0.546) 1.959 10.283 ( 1.573 0.000 3.548) 3.881 10.313 ( -0.921 0.000 -5.459) 5.536 10.397 ( -3.601 0.000 -2.537) 4.405 10.524 ( 0.506 0.000 -2.582) 2.631 10.533 ( -2.360 0.000 -5.137) 5.653 10.606 ( -0.844 0.000 -3.663) 3.759 10.679 ( -5.644 0.000 -2.881) 6.337 10.686 ( 5.265 0.000 1.539) 5.485 10.779 ( 5.784 0.000 0.841) 5.845 10.821 ( 6.545 0.000 2.152) 6.889 10.860 ( 3.803 0.000 -2.565) 4.587 10.869 ( -5.390 0.000 2.008) 5.752 10.920 ( 1.057 0.000 2.037) 2.295 11.001 ( -1.483 0.000 -0.907) 1.738 11.021 ( -1.998 0.000 1.102) 2.282 11.087 ( 0.471 0.000 2.665) 2.706 11.122 ( -4.778 0.000 -1.144) 4.913 11.244 ( 7.098 0.000 0.616) 7.125 11.248 ( 0.885 0.000 1.366) 1.628 11.321 ( 3.058 0.000 9.228) 9.722 11.373 ( 3.983 0.000 4.007) 5.649 11.437 ( 3.698 0.000 -5.346) 6.500 11.582 ( -3.260 0.000 -2.173) 3.918 11.583 ( -5.146 0.000 0.817) 5.210 11.616 ( -1.819 0.000 -2.456) 3.056 11.721 ( -1.090 0.000 -2.733) 2.943 11.778 ( -0.937 0.000 -4.404) 4.502 11.872 ( -9.909 0.000 -0.079) 9.909 11.882 ( -4.678 0.000 -3.595) 5.900 11.942 ( 0.750 0.000 -1.445) 1.628 11.965 ( -10.959 0.000 2.619) 11.268 12.007 ( 3.708 0.000 1.492) 3.997 12.142 ( -4.856 0.000 1.824) 5.187 12.210 ( -5.253 0.000 1.665) 5.511 12.329 ( -1.147 0.000 -7.461) 7.549 12.431 ( -2.112 0.000 -7.389) 7.685 12.544 ( 7.866 0.000 1.011) 7.931 12.550 ( 3.413 0.000 -1.202) 3.618 12.565 ( 1.310 0.000 1.269) 1.824 12.641 ( -3.335 0.000 1.454) 3.638 12.711 ( -3.426 0.000 -0.636) 3.484 12.759 ( 0.689 0.000 4.721) 4.771 12.773 ( 4.456 0.000 0.743) 4.518 12.799 ( 2.545 0.000 1.532) 2.971 12.817 ( -1.059 0.000 1.795) 2.084 12.860 ( -3.590 0.000 -1.093) 3.753 12.918 ( -1.554 0.000 -2.447) 2.899 12.961 ( -4.484 0.000 1.581) 4.754 13.016 ( 4.030 0.000 5.957) 7.192 13.088 ( 6.647 0.000 -0.685) 6.682 13.191 ( -3.702 0.000 -2.265) 4.340 13.276 ( -1.121 0.000 3.702) 3.868 13.290 ( -1.121 0.000 -3.607) 3.778 13.368 ( -3.458 0.000 4.353) 5.559 13.407 ( 5.621 0.000 -0.147) 5.623 13.497 ( 2.268 0.000 -1.737) 2.857 13.544 ( 3.969 0.000 -5.020) 6.399 13.577 ( 3.308 0.000 -4.977) 5.976 13.707 ( -3.544 0.000 -3.766) 5.171 13.749 ( 0.709 0.000 2.045) 2.165 13.759 ( -4.141 0.000 -6.121) 7.390 13.887 ( 0.519 0.000 3.155) 3.198 13.996 ( -4.071 0.000 3.100) 5.118 14.001 ( -2.843 0.000 -3.152) 4.245 14.032 ( 0.425 0.000 5.031) 5.049 14.064 ( -0.109 0.000 -0.540) 0.551 14.180 ( -4.971 0.000 -0.217) 4.976 14.323 ( -8.971 0.000 0.537) 8.987 14.459 ( 3.546 0.000 1.677) 3.922 14.515 ( 0.524 0.000 2.857) 2.905 14.651 ( 3.351 0.000 1.122) 3.533 14.711 ( 4.358 0.000 -4.990) 6.625 14.721 ( 1.584 0.000 1.849) 2.435 14.817 ( -1.965 0.000 -7.270) 7.531 14.939 ( 4.528 0.000 -4.154) 6.145 15.019 ( 0.108 0.000 -2.602) 2.604 15.042 ( 3.109 0.000 1.579) 3.487 15.211 ( -3.624 0.000 6.410) 7.364 15.394 ( 1.193 0.000 -4.123) 4.292 15.481 ( -2.746 0.000 1.009) 2.926 15.627 ( 8.005 0.000 -2.513) 8.391 15.636 ( 4.268 0.000 -2.164) 4.786 15.701 ( 6.946 0.000 -1.099) 7.032 15.764 ( -0.651 0.000 -0.776) 1.012 15.851 ( 2.163 0.000 -0.085) 2.164 15.916 ( 5.996 0.000 8.596) 10.481 15.997 ( -0.415 0.000 0.954) 1.040 16.034 ( 0.075 0.000 4.576) 4.577 16.050 ( 5.498 0.000 -4.778) 7.284 16.097 ( 2.305 0.000 -12.230) 12.445 16.223 ( -0.739 0.000 3.898) 3.967 16.247 ( -2.026 0.000 -0.378) 2.061 16.269 ( -2.252 0.000 -3.241) 3.946 16.342 ( -7.233 0.000 -2.703) 7.722 16.392 ( 5.601 0.000 -4.761) 7.351 16.499 ( 0.845 0.000 -0.402) 0.936 16.522 ( -0.858 0.000 -4.108) 4.197 16.533 ( -2.042 0.000 5.076) 5.471 16.620 ( -0.308 0.000 -8.725) 8.731 16.735 ( 1.263 0.000 1.280) 1.798 16.754 ( 2.630 0.000 -1.317) 2.942 16.863 ( 1.728 0.000 1.454) 2.259 16.888 ( -0.105 0.000 1.446) 1.450 16.920 ( -4.375 0.000 8.974) 9.983 16.937 ( -3.793 0.000 0.334) 3.808 16.997 ( -4.548 0.000 -5.194) 6.904 17.047 ( -3.498 0.000 3.980) 5.298 17.147 ( -5.645 0.000 3.373) 6.576 17.218 ( 4.382 0.000 0.167) 4.385 17.222 ( -4.189 0.000 6.976) 8.137 17.276 ( -6.219 0.000 9.603) 11.441 17.336 ( -1.558 0.000 -0.869) 1.784 17.373 ( 2.921 0.000 -2.494) 3.841 17.440 ( -0.084 0.000 2.768) 2.770 17.494 ( 4.274 0.000 -1.629) 4.574 17.563 ( 0.919 0.000 5.025) 5.108 17.634 ( 1.369 0.000 7.630) 7.752 17.682 ( -2.450 0.000 -0.460) 2.493 17.733 ( 2.728 0.000 5.032) 5.724 17.849 ( 5.425 0.000 1.455) 5.617 17.867 ( 6.278 0.000 0.581) 6.305 17.885 ( 8.271 0.000 0.695) 8.300 17.887 ( -2.931 0.000 4.189) 5.112 17.956 ( 4.519 0.000 -4.656) 6.488 18.088 ( -3.788 0.000 -2.701) 4.652 18.151 ( 2.299 0.000 7.099) 7.462 18.222 ( -7.744 0.000 1.980) 7.993 18.401 ( 4.140 0.000 -2.515) 4.844 18.443 ( 7.918 0.000 5.698) 9.755 18.516 ( -3.224 0.000 0.153) 3.227 18.580 ( -11.253 0.000 -2.425) 11.512 18.680 ( 8.495 0.000 -5.282) 10.003 18.711 ( 6.423 0.000 2.893) 7.044 18.835 ( -7.165 0.000 5.187) 8.845 18.954 ( -0.816 0.000 0.763) 1.117 18.971 ( -3.098 0.000 3.605) 4.753 19.214 ( 3.618 0.000 -2.400) 4.341 19.416 ( 5.474 0.000 -2.387) 5.972 19.451 ( -5.208 0.000 4.046) 6.595 19.497 ( 2.160 0.000 0.692) 2.268 19.727 ( 8.135 0.000 3.671) 8.925 19.930 ( 9.982 0.000 -2.278) 10.238 20.031 ( -6.426 0.000 1.834) 6.683 20.145 ( -2.092 0.000 -0.106) 2.095 21.071 ( 6.306 0.000 -1.547) 6.493 21.188 ( -0.002 0.000 -3.545) 3.545 21.317 ( -5.407 0.000 -1.619) 5.644 21.325 ( -3.033 0.000 -0.240) 3.043 21.398 ( -9.526 0.000 -1.148) 9.595 21.489 ( -10.199 0.000 -4.882) 11.308 21.535 ( 3.028 0.000 -7.773) 8.342 21.731 ( -6.473 0.000 -10.823) 12.611 ======================= Grid point 38 (16/36) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -36.493 0.000 14.385) 39.225 2.580 ( 36.493 0.000 14.385) 39.225 2.620 ( -32.643 0.000 19.191) 37.866 2.620 ( 32.643 0.000 19.191) 37.866 3.753 ( -16.628 0.000 -3.843) 17.066 3.753 ( 16.628 0.000 -3.843) 17.066 3.861 ( -8.002 0.000 -14.623) 16.669 3.861 ( 8.002 0.000 -14.623) 16.669 3.970 ( -16.009 0.000 2.061) 16.142 3.970 ( 16.009 0.000 2.061) 16.142 4.176 ( -3.869 0.000 0.554) 3.909 4.176 ( 3.869 0.000 0.554) 3.909 4.213 ( -1.599 0.000 1.720) 2.348 4.213 ( 1.599 0.000 1.720) 2.348 4.528 ( -13.434 0.000 -1.039) 13.474 4.528 ( 13.434 0.000 -1.039) 13.474 4.556 ( -3.710 0.000 -5.387) 6.541 4.556 ( 3.710 0.000 -5.387) 6.541 4.749 ( -2.718 0.000 1.303) 3.014 4.749 ( 2.718 0.000 1.303) 3.014 4.811 ( -6.683 0.000 3.410) 7.502 4.811 ( 6.683 0.000 3.410) 7.502 4.887 ( -2.275 0.000 -1.544) 2.749 4.887 ( 2.275 0.000 -1.544) 2.749 5.966 ( -0.575 0.000 4.562) 4.598 5.966 ( 0.575 0.000 4.562) 4.598 6.038 ( -1.766 0.000 1.688) 2.443 6.038 ( 1.766 0.000 1.688) 2.443 6.415 ( -6.061 0.000 -5.396) 8.115 6.415 ( 6.061 0.000 -5.396) 8.115 6.634 ( -7.857 0.000 0.117) 7.858 6.634 ( 7.857 0.000 0.117) 7.858 6.672 ( -4.020 0.000 -0.185) 4.025 6.672 ( 4.020 0.000 -0.185) 4.025 6.862 ( -3.500 0.000 -9.402) 10.032 6.862 ( 3.500 0.000 -9.402) 10.032 7.017 ( -7.972 0.000 8.374) 11.562 7.017 ( 7.972 0.000 8.374) 11.562 7.109 ( -9.779 0.000 0.985) 9.828 7.109 ( 9.779 0.000 0.985) 9.828 7.370 ( -12.732 0.000 6.191) 14.158 7.370 ( 12.732 0.000 6.191) 14.158 7.543 ( -6.551 0.000 -3.498) 7.427 7.543 ( 6.551 0.000 -3.498) 7.427 7.621 ( -9.922 0.000 -4.602) 10.937 7.621 ( 9.922 0.000 -4.602) 10.937 7.763 ( -5.013 0.000 -4.909) 7.016 7.763 ( 5.013 0.000 -4.909) 7.016 7.893 ( -2.688 0.000 10.889) 11.216 7.893 ( 2.688 0.000 10.889) 11.216 8.048 ( -4.853 0.000 3.430) 5.943 8.048 ( 4.853 0.000 3.430) 5.943 8.190 ( -0.967 0.000 2.941) 3.096 8.190 ( 0.967 0.000 2.941) 3.096 8.325 ( -1.890 0.000 -3.225) 3.738 8.325 ( 1.890 0.000 -3.225) 3.738 8.428 ( -1.354 0.000 -2.643) 2.970 8.428 ( 1.354 0.000 -2.643) 2.970 8.716 ( -0.811 0.000 0.374) 0.893 8.716 ( 0.811 0.000 0.374) 0.893 8.721 ( -9.168 0.000 -3.341) 9.758 8.721 ( 9.168 0.000 -3.341) 9.758 8.827 ( -3.000 0.000 1.049) 3.178 8.827 ( 3.000 0.000 1.049) 3.178 9.130 ( -3.771 0.000 -2.873) 4.741 9.130 ( 3.771 0.000 -2.873) 4.741 9.152 ( -8.782 0.000 -6.035) 10.655 9.152 ( 8.782 0.000 -6.035) 10.655 9.175 ( -0.515 0.000 1.894) 1.963 9.175 ( 0.515 0.000 1.894) 1.963 9.331 ( -8.072 0.000 7.178) 10.802 9.331 ( 8.072 0.000 7.178) 10.802 9.444 ( -1.044 0.000 -0.137) 1.053 9.444 ( 1.044 0.000 -0.137) 1.053 9.459 ( -5.597 0.000 -1.214) 5.728 9.459 ( 5.597 0.000 -1.214) 5.728 9.647 ( -2.760 0.000 7.391) 7.889 9.647 ( 2.760 0.000 7.391) 7.889 9.735 ( -0.857 0.000 5.747) 5.810 9.735 ( 0.857 0.000 5.747) 5.810 9.757 ( -3.793 0.000 2.369) 4.472 9.757 ( 3.793 0.000 2.369) 4.472 9.850 ( -4.507 0.000 -2.125) 4.983 9.850 ( 4.507 0.000 -2.125) 4.983 9.974 ( -5.820 0.000 -2.453) 6.316 9.974 ( 5.820 0.000 -2.453) 6.316 10.183 ( -4.358 0.000 -4.329) 6.142 10.183 ( 4.358 0.000 -4.329) 6.142 10.307 ( -4.475 0.000 -3.271) 5.543 10.307 ( 4.475 0.000 -3.271) 5.543 10.400 ( -9.271 0.000 -3.243) 9.821 10.400 ( 9.271 0.000 -3.243) 9.821 10.609 ( -1.901 0.000 -4.049) 4.473 10.609 ( 1.901 0.000 -4.049) 4.473 10.633 ( -9.023 0.000 1.709) 9.183 10.633 ( 9.023 0.000 1.709) 9.183 10.853 ( -5.584 0.000 1.329) 5.740 10.853 ( 5.584 0.000 1.329) 5.740 10.908 ( -3.620 0.000 1.301) 3.846 10.908 ( 3.620 0.000 1.301) 3.846 10.951 ( -9.042 0.000 -0.371) 9.050 10.951 ( 9.042 0.000 -0.371) 9.050 11.025 ( -4.742 0.000 0.146) 4.744 11.025 ( 4.742 0.000 0.146) 4.744 11.114 ( -7.125 0.000 5.462) 8.978 11.114 ( 7.125 0.000 5.462) 8.978 11.424 ( -10.983 0.000 0.545) 10.996 11.424 ( 10.983 0.000 0.545) 10.996 11.473 ( -6.281 0.000 2.069) 6.613 11.473 ( 6.281 0.000 2.069) 6.613 11.552 ( -5.953 0.000 -1.546) 6.150 11.552 ( 5.953 0.000 -1.546) 6.150 11.596 ( -15.079 0.000 -1.103) 15.120 11.596 ( 15.079 0.000 -1.103) 15.120 11.786 ( -3.661 0.000 -6.582) 7.532 11.786 ( 3.661 0.000 -6.582) 7.532 11.791 ( -5.513 0.000 0.996) 5.603 11.791 ( 5.513 0.000 0.996) 5.603 12.034 ( -6.414 0.000 -1.778) 6.656 12.034 ( 6.414 0.000 -1.778) 6.656 12.107 ( -5.753 0.000 2.981) 6.480 12.107 ( 5.753 0.000 2.981) 6.480 12.368 ( -3.855 0.000 -6.727) 7.753 12.368 ( 3.855 0.000 -6.727) 7.753 12.585 ( -2.330 0.000 1.597) 2.825 12.585 ( 2.330 0.000 1.597) 2.825 12.627 ( -4.648 0.000 0.320) 4.659 12.627 ( 4.648 0.000 0.320) 4.659 12.715 ( -8.208 0.000 -1.398) 8.326 12.715 ( 8.208 0.000 -1.398) 8.326 12.787 ( -1.799 0.000 0.633) 1.907 12.787 ( 1.799 0.000 0.633) 1.907 12.853 ( -4.270 0.000 0.432) 4.292 12.853 ( 4.270 0.000 0.432) 4.292 12.887 ( -3.487 0.000 1.948) 3.994 12.887 ( 3.487 0.000 1.948) 3.994 13.116 ( -5.061 0.000 4.328) 6.659 13.116 ( 5.061 0.000 4.328) 6.659 13.215 ( -6.228 0.000 -0.743) 6.272 13.215 ( 6.228 0.000 -0.743) 6.272 13.300 ( -3.198 0.000 3.375) 4.650 13.300 ( 3.198 0.000 3.375) 4.650 13.488 ( -2.459 0.000 -0.796) 2.585 13.488 ( 2.459 0.000 -0.796) 2.585 13.630 ( -5.659 0.000 -5.682) 8.019 13.630 ( 5.659 0.000 -5.682) 8.019 13.642 ( -3.669 0.000 -5.315) 6.458 13.642 ( 3.669 0.000 -5.315) 6.458 13.864 ( -7.583 0.000 2.512) 7.988 13.864 ( 7.583 0.000 2.512) 7.988 13.928 ( -3.642 0.000 1.886) 4.102 13.928 ( 3.642 0.000 1.886) 4.102 14.106 ( -3.228 0.000 -0.788) 3.323 14.106 ( 3.228 0.000 -0.788) 3.323 14.143 ( -9.468 0.000 1.001) 9.521 14.143 ( 9.468 0.000 1.001) 9.521 14.505 ( -1.512 0.000 4.485) 4.733 14.505 ( 1.512 0.000 4.485) 4.733 14.711 ( -2.426 0.000 0.498) 2.477 14.711 ( 2.426 0.000 0.498) 2.477 14.775 ( -2.764 0.000 -5.740) 6.371 14.775 ( 2.764 0.000 -5.740) 6.371 15.001 ( -2.174 0.000 -2.659) 3.435 15.001 ( 2.174 0.000 -2.659) 3.435 15.126 ( -5.166 0.000 2.737) 5.846 15.126 ( 5.166 0.000 2.737) 5.846 15.424 ( -2.491 0.000 -1.636) 2.980 15.424 ( 2.491 0.000 -1.636) 2.980 15.708 ( -3.407 0.000 -1.351) 3.665 15.708 ( 3.407 0.000 -1.351) 3.665 15.735 ( -3.289 0.000 -0.507) 3.328 15.735 ( 3.289 0.000 -0.507) 3.328 15.966 ( -5.396 0.000 -1.497) 5.600 15.966 ( 5.396 0.000 -1.497) 5.600 16.008 ( -3.222 0.000 8.712) 9.289 16.008 ( 3.222 0.000 8.712) 9.289 16.115 ( -1.050 0.000 -10.124) 10.179 16.115 ( 1.050 0.000 -10.124) 10.179 16.214 ( -3.410 0.000 -0.078) 3.411 16.214 ( 3.410 0.000 -0.078) 3.411 16.231 ( -1.164 0.000 -1.850) 2.186 16.231 ( 1.164 0.000 -1.850) 2.186 16.486 ( -3.509 0.000 -5.565) 6.579 16.486 ( 3.509 0.000 -5.565) 6.579 16.521 ( -1.338 0.000 2.920) 3.212 16.521 ( 1.338 0.000 2.920) 3.212 16.677 ( -6.714 0.000 -4.086) 7.859 16.677 ( 6.714 0.000 -4.086) 7.859 16.802 ( -5.622 0.000 3.137) 6.438 16.802 ( 5.622 0.000 3.137) 6.438 16.918 ( -2.258 0.000 2.248) 3.186 16.918 ( 2.258 0.000 2.248) 3.186 16.925 ( -3.169 0.000 -0.503) 3.209 16.925 ( 3.169 0.000 -0.503) 3.209 17.049 ( -4.038 0.000 4.529) 6.068 17.049 ( 4.038 0.000 4.529) 6.068 17.194 ( -1.675 0.000 9.408) 9.556 17.194 ( 1.675 0.000 9.408) 9.556 17.289 ( -3.307 0.000 -0.965) 3.445 17.289 ( 3.307 0.000 -0.965) 3.445 17.422 ( -2.012 0.000 -1.251) 2.369 17.422 ( 2.012 0.000 -1.251) 2.369 17.556 ( -2.056 0.000 4.201) 4.678 17.556 ( 2.056 0.000 4.201) 4.678 17.652 ( -1.066 0.000 3.900) 4.043 17.652 ( 1.066 0.000 3.900) 4.043 17.799 ( -4.387 0.000 5.667) 7.167 17.799 ( 4.387 0.000 5.667) 7.167 17.932 ( -3.207 0.000 3.124) 4.477 17.932 ( 3.207 0.000 3.124) 4.477 17.999 ( -5.387 0.000 -6.453) 8.406 17.999 ( 5.387 0.000 -6.453) 8.406 18.072 ( -7.487 0.000 0.324) 7.494 18.072 ( 7.487 0.000 0.324) 7.494 18.313 ( -13.595 0.000 -1.727) 13.704 18.313 ( 13.595 0.000 -1.727) 13.704 18.470 ( -3.333 0.000 0.803) 3.428 18.470 ( 3.333 0.000 0.803) 3.428 18.624 ( -10.332 0.000 5.989) 11.942 18.624 ( 10.332 0.000 5.989) 11.942 18.864 ( -8.005 0.000 2.531) 8.396 18.864 ( 8.005 0.000 2.531) 8.396 18.871 ( -7.176 0.000 -3.713) 8.080 18.871 ( 7.176 0.000 -3.713) 8.080 19.331 ( -7.333 0.000 3.013) 7.928 19.331 ( 7.333 0.000 3.013) 7.928 19.497 ( -2.529 0.000 -1.072) 2.747 19.497 ( 2.529 0.000 -1.072) 2.747 19.889 ( -8.733 0.000 2.033) 8.966 19.889 ( 8.733 0.000 2.033) 8.966 20.078 ( -5.686 0.000 -1.830) 5.973 20.078 ( 5.686 0.000 -1.830) 5.973 21.220 ( -9.253 0.000 -1.596) 9.389 21.220 ( 9.253 0.000 -1.596) 9.389 21.225 ( -3.933 0.000 -2.127) 4.471 21.225 ( 3.933 0.000 -2.127) 4.471 21.337 ( -4.635 0.000 -2.091) 5.085 21.337 ( 4.635 0.000 -2.091) 5.085 21.615 ( -5.646 0.000 -10.035) 11.514 21.615 ( 5.646 0.000 -10.035) 11.514 ======================= Grid point 42 (17/36) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 0.000 32.191 28.957) 43.299 1.462 ( 0.000 31.591 31.683) 44.741 2.092 ( 0.000 44.495 45.095) 63.351 3.371 ( 0.000 5.248 -13.547) 14.528 3.397 ( 0.000 -10.769 -10.410) 14.978 3.630 ( 0.000 -20.404 2.092) 20.511 3.653 ( 0.000 -3.615 -9.179) 9.865 3.970 ( 0.000 -2.593 -2.715) 3.754 4.097 ( 0.000 1.600 2.314) 2.813 4.172 ( 0.000 -0.461 -1.545) 1.612 4.230 ( 0.000 -1.276 -5.806) 5.945 4.315 ( 0.000 -5.181 -2.741) 5.862 4.369 ( 0.000 -4.223 0.722) 4.285 4.421 ( 0.000 9.319 -0.901) 9.362 4.494 ( 0.000 0.169 -1.731) 1.739 4.500 ( 0.000 -1.049 0.918) 1.394 4.543 ( 0.000 1.802 3.575) 4.004 4.623 ( 0.000 -3.684 4.819) 6.066 4.737 ( 0.000 1.331 -5.198) 5.366 4.764 ( 0.000 -2.029 3.001) 3.623 4.817 ( 0.000 -0.052 -2.750) 2.751 4.833 ( 0.000 -9.478 3.251) 10.020 5.023 ( 0.000 2.862 -1.411) 3.191 5.066 ( 0.000 -2.833 0.520) 2.881 5.882 ( 0.000 2.196 4.262) 4.795 5.882 ( 0.000 5.425 4.200) 6.861 6.019 ( 0.000 5.110 7.628) 9.181 6.097 ( 0.000 3.212 2.817) 4.272 6.279 ( 0.000 7.054 2.939) 7.642 6.359 ( 0.000 -0.414 -3.195) 3.222 6.451 ( 0.000 1.298 -4.345) 4.535 6.588 ( 0.000 -5.580 6.368) 8.467 6.644 ( 0.000 -4.669 -0.367) 4.684 6.722 ( 0.000 2.181 -5.228) 5.665 6.752 ( 0.000 4.708 -0.725) 4.763 6.878 ( 0.000 0.677 -12.103) 12.122 6.924 ( 0.000 -0.181 6.501) 6.504 7.006 ( 0.000 -0.704 3.796) 3.861 7.046 ( 0.000 -8.587 -6.825) 10.969 7.100 ( 0.000 -12.321 -2.270) 12.529 7.282 ( 0.000 6.264 8.775) 10.781 7.290 ( 0.000 -0.886 -4.315) 4.405 7.480 ( 0.000 -7.901 7.485) 10.884 7.549 ( 0.000 -4.387 -4.839) 6.532 7.723 ( 0.000 10.915 -0.711) 10.938 7.740 ( 0.000 -2.694 2.731) 3.836 7.774 ( 0.000 3.888 5.847) 7.022 7.823 ( 0.000 -0.364 -5.906) 5.918 7.977 ( 0.000 -2.665 0.228) 2.675 8.011 ( 0.000 8.895 -7.710) 11.772 8.070 ( 0.000 1.044 -7.394) 7.467 8.126 ( 0.000 -4.586 -0.930) 4.679 8.206 ( 0.000 7.609 2.666) 8.062 8.279 ( 0.000 6.292 -3.066) 7.000 8.398 ( 0.000 2.878 -0.208) 2.886 8.440 ( 0.000 -6.682 -0.063) 6.682 8.530 ( 0.000 1.467 -0.859) 1.699 8.583 ( 0.000 -3.052 2.225) 3.777 8.631 ( 0.000 -2.646 -11.978) 12.266 8.659 ( 0.000 -2.104 2.176) 3.027 8.781 ( 0.000 2.957 -3.039) 4.241 8.823 ( 0.000 -1.046 -6.787) 6.868 8.836 ( 0.000 -1.895 5.756) 6.060 8.860 ( 0.000 -1.910 4.395) 4.792 8.915 ( 0.000 0.014 -1.990) 1.990 9.064 ( 0.000 -6.376 -3.477) 7.262 9.064 ( 0.000 6.219 -0.289) 6.226 9.112 ( 0.000 0.062 0.233) 0.241 9.152 ( 0.000 -2.119 3.107) 3.760 9.241 ( 0.000 1.020 3.885) 4.017 9.277 ( 0.000 5.682 0.436) 5.699 9.324 ( 0.000 2.158 3.037) 3.726 9.378 ( 0.000 3.780 -4.104) 5.580 9.389 ( 0.000 -3.511 7.166) 7.980 9.427 ( 0.000 -5.008 1.282) 5.169 9.479 ( 0.000 -3.060 1.224) 3.295 9.556 ( 0.000 -2.860 3.450) 4.481 9.569 ( 0.000 -2.414 1.514) 2.850 9.591 ( 0.000 1.662 6.872) 7.071 9.714 ( 0.000 0.912 0.349) 0.976 9.749 ( 0.000 3.903 6.935) 7.958 9.816 ( 0.000 4.875 1.595) 5.129 9.901 ( 0.000 -1.161 -3.926) 4.094 9.943 ( 0.000 -2.425 0.170) 2.431 10.065 ( 0.000 0.694 -4.232) 4.289 10.111 ( 0.000 0.305 6.690) 6.697 10.218 ( 0.000 5.747 2.000) 6.085 10.256 ( 0.000 -7.988 -0.945) 8.044 10.283 ( 0.000 -0.245 -1.674) 1.691 10.287 ( 0.000 -4.369 -7.005) 8.256 10.346 ( 0.000 -0.264 4.102) 4.110 10.373 ( 0.000 -1.433 -0.170) 1.443 10.396 ( 0.000 -1.015 4.121) 4.244 10.468 ( 0.000 -4.675 4.688) 6.621 10.485 ( 0.000 -7.521 -0.381) 7.530 10.600 ( 0.000 -10.840 -1.502) 10.943 10.613 ( 0.000 -3.140 1.844) 3.641 10.691 ( 0.000 -2.780 3.398) 4.390 10.823 ( 0.000 -1.754 5.087) 5.381 10.870 ( 0.000 6.979 -2.442) 7.394 11.033 ( 0.000 0.683 -2.274) 2.374 11.044 ( 0.000 6.328 -8.140) 10.310 11.101 ( 0.000 2.552 -3.798) 4.576 11.101 ( 0.000 5.721 -4.465) 7.257 11.133 ( 0.000 -1.529 -2.236) 2.709 11.144 ( 0.000 4.088 -1.047) 4.220 11.332 ( 0.000 2.409 -2.554) 3.511 11.482 ( 0.000 0.094 -1.707) 1.709 11.516 ( 0.000 10.995 -1.288) 11.070 11.523 ( 0.000 3.721 -0.177) 3.726 11.585 ( 0.000 0.902 -2.175) 2.355 11.651 ( 0.000 -0.695 -1.877) 2.002 11.707 ( 0.000 5.403 -4.293) 6.901 11.749 ( 0.000 0.606 0.621) 0.867 11.868 ( 0.000 3.733 -2.861) 4.703 11.917 ( 0.000 1.076 5.529) 5.633 11.918 ( 0.000 -0.897 -3.974) 4.074 12.043 ( 0.000 -0.721 -0.173) 0.741 12.216 ( 0.000 -7.254 -0.524) 7.273 12.231 ( 0.000 -2.141 6.031) 6.400 12.248 ( 0.000 0.642 2.401) 2.485 12.304 ( 0.000 -0.756 7.149) 7.189 12.324 ( 0.000 -1.851 -9.285) 9.468 12.431 ( 0.000 -1.567 5.505) 5.724 12.466 ( 0.000 1.071 -3.907) 4.051 12.523 ( 0.000 -2.095 -0.027) 2.095 12.543 ( 0.000 -0.839 -1.424) 1.653 12.605 ( 0.000 3.484 -8.114) 8.830 12.720 ( 0.000 2.664 4.701) 5.403 12.748 ( 0.000 -2.370 5.078) 5.604 12.768 ( 0.000 0.642 2.825) 2.897 12.809 ( 0.000 -0.017 -0.274) 0.274 12.843 ( 0.000 -4.695 3.661) 5.954 12.873 ( 0.000 3.721 0.201) 3.726 12.919 ( 0.000 4.298 2.118) 4.791 12.955 ( 0.000 5.997 -0.903) 6.065 13.022 ( 0.000 -0.406 -4.320) 4.339 13.065 ( 0.000 -1.826 -1.078) 2.121 13.122 ( 0.000 -5.291 1.846) 5.604 13.188 ( 0.000 0.767 -3.131) 3.223 13.247 ( 0.000 -8.025 0.613) 8.048 13.317 ( 0.000 -0.809 -4.811) 4.879 13.344 ( 0.000 -2.128 0.534) 2.194 13.430 ( 0.000 -1.918 -6.271) 6.558 13.544 ( 0.000 3.168 1.054) 3.339 13.598 ( 0.000 6.021 -3.061) 6.754 13.742 ( 0.000 2.008 0.238) 2.022 13.749 ( 0.000 -3.338 -2.833) 4.378 13.892 ( 0.000 -1.889 -1.505) 2.415 13.903 ( 0.000 -0.510 5.302) 5.326 13.977 ( 0.000 -5.145 -1.553) 5.375 13.996 ( 0.000 -1.780 4.621) 4.952 14.111 ( 0.000 -0.404 3.799) 3.820 14.187 ( 0.000 -6.151 -4.472) 7.605 14.209 ( 0.000 0.936 -6.319) 6.388 14.309 ( 0.000 -3.130 1.615) 3.522 14.378 ( 0.000 -2.522 -6.979) 7.421 14.469 ( 0.000 0.555 0.665) 0.866 14.594 ( 0.000 1.531 0.652) 1.664 14.669 ( 0.000 8.556 -1.169) 8.635 14.680 ( 0.000 5.455 1.477) 5.652 14.707 ( 0.000 8.715 -3.453) 9.374 14.926 ( 0.000 -3.251 3.690) 4.918 14.971 ( 0.000 -1.082 -2.115) 2.376 15.151 ( 0.000 -1.213 10.535) 10.604 15.159 ( 0.000 3.095 0.259) 3.105 15.249 ( 0.000 4.039 2.518) 4.760 15.409 ( 0.000 -0.914 -2.282) 2.458 15.461 ( 0.000 -3.502 -0.844) 3.602 15.520 ( 0.000 1.367 -0.750) 1.559 15.543 ( 0.000 -1.932 -3.060) 3.619 15.667 ( 0.000 -9.316 14.265) 17.037 15.749 ( 0.000 -3.180 5.209) 6.103 15.800 ( 0.000 -2.334 8.056) 8.387 15.822 ( 0.000 -4.154 -0.289) 4.164 15.922 ( 0.000 2.036 1.990) 2.847 15.975 ( 0.000 -1.395 -2.149) 2.562 16.061 ( 0.000 -8.943 -0.385) 8.951 16.232 ( 0.000 2.838 -5.926) 6.570 16.300 ( 0.000 3.468 -1.251) 3.686 16.319 ( 0.000 3.751 -4.014) 5.494 16.388 ( 0.000 5.838 -0.279) 5.845 16.411 ( 0.000 -1.627 0.114) 1.631 16.588 ( 0.000 -0.223 -6.548) 6.552 16.588 ( 0.000 2.857 0.040) 2.857 16.611 ( 0.000 1.594 -7.937) 8.095 16.621 ( 0.000 3.337 -2.535) 4.191 16.759 ( 0.000 -1.671 4.955) 5.229 16.823 ( 0.000 2.363 9.735) 10.018 16.853 ( 0.000 3.716 -4.368) 5.735 16.926 ( 0.000 1.031 -5.222) 5.323 16.984 ( 0.000 -1.798 0.154) 1.805 16.994 ( 0.000 -4.410 2.913) 5.286 17.015 ( 0.000 0.313 5.752) 5.760 17.160 ( 0.000 3.114 3.647) 4.796 17.185 ( 0.000 -2.434 -1.437) 2.826 17.248 ( 0.000 -2.240 -5.768) 6.187 17.253 ( 0.000 -4.620 0.615) 4.661 17.305 ( 0.000 -2.072 -2.320) 3.111 17.335 ( 0.000 2.693 -0.936) 2.851 17.416 ( 0.000 -0.848 2.182) 2.341 17.439 ( 0.000 1.863 -0.741) 2.005 17.455 ( 0.000 2.677 1.960) 3.318 17.516 ( 0.000 -1.040 0.066) 1.042 17.520 ( 0.000 1.898 7.814) 8.041 17.600 ( 0.000 4.175 9.497) 10.374 17.681 ( 0.000 3.843 3.712) 5.343 17.721 ( 0.000 -2.641 -5.303) 5.924 17.792 ( 0.000 -2.707 -7.314) 7.799 17.852 ( 0.000 6.408 0.464) 6.425 17.928 ( 0.000 4.744 5.425) 7.207 18.003 ( 0.000 -2.845 6.104) 6.734 18.144 ( 0.000 -4.566 1.746) 4.888 18.187 ( 0.000 5.039 8.879) 10.209 18.296 ( 0.000 0.579 -0.540) 0.792 18.330 ( 0.000 -2.207 -4.070) 4.630 18.355 ( 0.000 -3.436 3.083) 4.616 18.493 ( 0.000 -2.258 -3.347) 4.037 18.604 ( 0.000 -0.529 -1.110) 1.230 18.685 ( 0.000 -5.071 -3.353) 6.079 18.695 ( 0.000 1.055 3.880) 4.021 18.782 ( 0.000 6.146 2.486) 6.630 18.945 ( 0.000 4.658 2.398) 5.239 19.090 ( 0.000 -3.428 6.620) 7.455 19.289 ( 0.000 0.720 -1.974) 2.102 19.397 ( 0.000 -0.201 0.959) 0.979 19.464 ( 0.000 3.381 -7.183) 7.939 19.479 ( 0.000 2.054 -3.021) 3.653 19.671 ( 0.000 7.433 3.393) 8.171 19.791 ( 0.000 8.743 2.252) 9.028 20.136 ( 0.000 -3.201 1.842) 3.693 20.163 ( 0.000 -1.149 1.925) 2.242 20.981 ( 0.000 1.100 -1.097) 1.554 21.239 ( 0.000 -1.553 -7.426) 7.587 21.350 ( 0.000 -6.323 -1.045) 6.409 21.409 ( 0.000 -2.741 -0.058) 2.742 21.430 ( 0.000 -5.915 -4.126) 7.212 21.477 ( 0.000 -7.212 3.002) 7.811 21.722 ( 0.000 0.051 -7.152) 7.153 21.884 ( 0.000 -2.091 -10.010) 10.226 ======================= Grid point 43 (18/36) ======================= q-point: ( 0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 20.535 27.761 25.621) 42.998 1.691 ( 27.714 23.851 25.069) 44.333 2.399 ( 32.491 37.351 36.723) 61.639 3.403 ( 3.255 2.953 -14.627) 15.273 3.453 ( 3.016 -7.161 -6.440) 10.092 3.626 ( -2.259 -15.899 4.595) 16.703 3.700 ( 4.449 -1.939 -10.279) 11.367 3.869 ( -10.118 -2.637 0.131) 10.457 3.955 ( -11.638 1.653 1.844) 11.899 4.146 ( -2.537 -2.287 -2.875) 4.464 4.191 ( -3.291 -0.445 -4.611) 5.683 4.250 ( -3.074 -2.057 -2.724) 4.594 4.328 ( -3.846 -4.770 1.701) 6.359 4.386 ( -8.021 1.348 0.216) 8.137 4.414 ( -4.318 -5.850 0.201) 7.274 4.465 ( -3.901 -0.476 1.823) 4.332 4.548 ( 2.956 -2.834 -2.791) 4.956 4.614 ( -0.813 -3.612 -4.895) 6.138 4.768 ( 2.954 2.871 -1.932) 4.550 4.828 ( 0.300 -3.178 2.540) 4.079 4.847 ( 5.091 -4.157 1.215) 6.684 4.905 ( 5.951 1.945 1.590) 6.459 4.935 ( -6.107 3.547 -0.705) 7.098 5.056 ( -4.003 -1.344 0.942) 4.327 5.893 ( 2.536 3.320 4.427) 6.087 5.964 ( 5.869 3.112 2.522) 7.106 6.040 ( -0.040 3.343 5.099) 6.097 6.067 ( -0.817 4.689 4.603) 6.621 6.318 ( 3.259 6.204 2.524) 7.449 6.366 ( 1.131 2.361 -3.975) 4.759 6.531 ( 9.033 -1.948 -2.395) 9.546 6.606 ( -2.651 -0.559 -3.441) 4.379 6.629 ( 3.424 -7.508 4.303) 9.307 6.679 ( -3.746 2.275 -3.839) 5.826 6.809 ( 0.608 -4.165 -4.480) 6.148 6.883 ( 0.813 0.711 6.041) 6.136 6.969 ( -4.870 -1.603 -7.186) 8.828 6.998 ( 4.807 -0.578 -1.497) 5.067 7.050 ( 5.210 0.230 -2.568) 5.813 7.127 ( 6.041 -0.360 3.058) 6.780 7.243 ( -1.316 0.246 -1.753) 2.206 7.385 ( 5.480 1.743 2.155) 6.141 7.436 ( -3.594 -6.923 6.137) 9.925 7.514 ( -4.271 -3.279 -2.556) 5.961 7.695 ( -2.078 5.115 1.047) 5.619 7.715 ( -3.350 -0.196 2.467) 4.164 7.768 ( -0.272 3.553 6.724) 7.610 7.789 ( -1.306 -1.482 -2.749) 3.385 7.971 ( 2.243 -1.655 -2.806) 3.955 7.984 ( -3.564 7.955 -3.233) 9.298 8.109 ( -1.942 -0.291 0.257) 1.980 8.163 ( 5.695 1.530 -7.285) 9.372 8.216 ( 0.344 3.505 4.543) 5.748 8.268 ( -2.363 4.121 -3.786) 6.074 8.344 ( -1.209 2.612 1.635) 3.310 8.437 ( -3.789 -3.061 -0.010) 4.871 8.489 ( -4.553 -0.657 -1.686) 4.900 8.541 ( -0.702 -1.809 0.310) 1.965 8.648 ( 3.217 -2.627 -10.679) 11.458 8.699 ( -5.789 1.419 -3.054) 6.697 8.720 ( 2.901 -2.065 4.783) 5.963 8.789 ( -1.425 -0.649 -1.995) 2.536 8.860 ( 0.508 -1.434 1.070) 1.860 8.930 ( 3.795 -1.237 -3.568) 5.354 8.960 ( 1.395 -0.366 6.558) 6.715 9.006 ( -1.603 0.994 -2.635) 3.240 9.049 ( -1.183 -0.275 0.120) 1.220 9.148 ( -0.267 2.465 -2.616) 3.605 9.204 ( -0.541 1.835 1.062) 2.188 9.234 ( 4.147 -0.770 0.451) 4.242 9.290 ( 5.264 1.825 0.639) 5.608 9.348 ( -1.713 -1.849 3.277) 4.134 9.378 ( 2.143 -0.963 1.799) 2.959 9.392 ( 0.673 -3.564 5.004) 6.180 9.433 ( 0.875 -0.429 -1.660) 1.925 9.492 ( 0.496 0.261 4.179) 4.217 9.527 ( -1.761 -2.378 4.931) 5.751 9.561 ( 0.885 -2.829 2.064) 3.611 9.627 ( 2.940 0.248 1.587) 3.351 9.701 ( -1.892 0.185 -2.216) 2.920 9.746 ( -0.951 2.959 5.399) 6.229 9.809 ( 0.991 4.415 2.653) 5.246 9.904 ( 0.384 1.311 -3.878) 4.111 9.925 ( -3.022 -2.517 1.180) 4.107 9.980 ( -5.241 0.693 0.425) 5.304 10.124 ( 0.164 0.010 3.089) 3.094 10.175 ( -4.899 0.440 -0.391) 4.934 10.208 ( -4.327 3.417 0.467) 5.533 10.269 ( -1.157 0.119 0.402) 1.230 10.274 ( 1.402 -7.830 -3.016) 8.507 10.334 ( 0.505 -5.150 -2.774) 5.871 10.396 ( 1.829 -0.378 2.091) 2.804 10.489 ( 5.684 0.032 0.113) 5.686 10.510 ( 4.421 -8.201 -0.026) 9.317 10.538 ( 2.378 -8.060 -1.942) 8.625 10.627 ( 5.923 -5.219 2.308) 8.225 10.687 ( 5.407 -1.463 1.048) 5.699 10.767 ( -0.365 2.647 -1.923) 3.292 10.844 ( 7.563 -3.845 3.309) 9.106 10.910 ( -3.932 -3.695 -1.748) 5.671 10.949 ( -7.460 2.038 -2.364) 8.086 10.973 ( 3.522 3.398 -1.554) 5.134 11.075 ( -1.245 3.701 -1.237) 4.096 11.104 ( -1.007 2.415 -1.775) 3.161 11.115 ( -0.343 2.047 -1.661) 2.658 11.202 ( 2.148 3.922 -2.015) 4.904 11.340 ( -0.729 4.282 -1.990) 4.778 11.380 ( -6.643 1.232 1.788) 6.989 11.447 ( -4.511 6.228 -1.227) 7.788 11.559 ( -6.623 5.446 0.849) 8.616 11.583 ( 2.224 -0.053 -4.896) 5.378 11.613 ( 1.667 -0.831 -1.938) 2.688 11.692 ( -2.585 2.139 -2.193) 4.008 11.741 ( -2.160 3.914 -0.039) 4.470 11.875 ( -1.837 0.191 -3.847) 4.268 11.892 ( -3.947 -1.614 4.439) 6.155 11.902 ( 1.153 0.938 0.122) 1.491 11.989 ( -4.787 1.183 -1.451) 5.140 12.142 ( -4.698 1.363 0.544) 4.922 12.173 ( -7.278 0.600 -0.422) 7.315 12.206 ( -3.555 -2.745 3.022) 5.413 12.254 ( 0.861 -0.237 2.309) 2.476 12.352 ( -1.054 -1.141 1.304) 2.028 12.403 ( 2.810 0.768 0.475) 2.952 12.453 ( -0.161 -2.072 -4.280) 4.758 12.528 ( -4.021 2.914 -5.275) 7.244 12.580 ( -1.187 -2.578 -0.658) 2.914 12.646 ( 5.802 -1.272 0.473) 5.959 12.722 ( -1.447 0.334 3.813) 4.092 12.734 ( 0.471 0.442 3.502) 3.561 12.770 ( 2.107 2.259 1.399) 3.391 12.793 ( -2.576 -0.395 2.629) 3.702 12.849 ( 2.039 0.213 3.681) 4.214 12.897 ( 0.993 3.009 1.005) 3.325 12.932 ( 1.754 0.719 -0.519) 1.966 12.979 ( 0.159 0.149 -1.811) 1.824 13.000 ( -1.925 1.018 -2.147) 3.058 13.043 ( -2.718 -1.535 0.862) 3.239 13.116 ( 2.431 -4.293 -1.762) 5.239 13.235 ( 0.942 -2.506 -6.579) 7.103 13.290 ( 2.623 -3.220 2.848) 5.036 13.336 ( 0.390 -0.345 -2.137) 2.200 13.369 ( 4.883 -2.359 -0.414) 5.439 13.435 ( -1.111 -4.104 -3.331) 5.401 13.542 ( 0.462 2.615 -0.640) 2.732 13.587 ( 1.127 6.869 -3.749) 7.906 13.701 ( -2.070 -1.673 -0.065) 2.662 13.762 ( -0.809 1.680 -2.709) 3.289 13.841 ( -2.930 -3.419 0.293) 4.513 13.932 ( -3.054 -1.065 1.694) 3.651 13.949 ( 1.084 -0.305 2.123) 2.403 13.996 ( 1.639 -1.118 0.320) 2.010 14.076 ( -2.961 -1.471 3.746) 4.996 14.153 ( -3.870 1.730 -3.784) 5.682 14.267 ( 3.068 -2.713 -1.992) 4.554 14.338 ( -0.167 -0.279 -0.140) 0.355 14.404 ( 2.891 -3.295 -4.288) 6.132 14.479 ( 1.746 -4.702 0.109) 5.017 14.628 ( 0.070 5.844 -0.374) 5.856 14.660 ( -0.289 4.916 2.941) 5.735 14.690 ( 4.779 2.159 -2.284) 5.720 14.861 ( 9.771 3.304 -5.856) 11.861 14.881 ( -3.182 -1.285 1.723) 3.840 14.990 ( 0.575 -0.470 -1.666) 1.824 15.063 ( -2.984 2.365 2.335) 4.467 15.217 ( 0.876 -2.016 5.370) 5.803 15.299 ( 5.853 -0.613 -0.434) 5.901 15.427 ( 3.173 -0.856 1.145) 3.481 15.505 ( 4.571 -2.925 -1.963) 5.771 15.523 ( -0.904 -2.933 -0.647) 3.137 15.581 ( 5.200 1.541 -0.513) 5.447 15.729 ( 3.577 -5.266 4.536) 7.817 15.758 ( 0.948 -2.895 6.506) 7.184 15.780 ( 1.120 -6.054 2.644) 6.700 15.864 ( -0.353 -0.710 3.513) 3.601 15.886 ( 0.469 -2.334 3.634) 4.344 16.012 ( 2.614 -1.063 -0.407) 2.851 16.079 ( 2.020 -7.189 -1.093) 7.547 16.260 ( 1.293 2.769 -4.433) 5.384 16.302 ( -0.775 2.905 -0.540) 3.054 16.314 ( 0.629 3.719 -5.283) 6.491 16.364 ( -1.443 3.183 -1.822) 3.941 16.417 ( 0.829 -0.654 0.017) 1.056 16.559 ( -3.392 0.183 -2.077) 3.981 16.591 ( -1.703 4.193 -4.072) 6.088 16.623 ( 3.270 2.318 -2.219) 4.582 16.647 ( 1.017 2.402 -4.282) 5.014 16.725 ( -3.543 -1.392 4.998) 6.283 16.747 ( -3.315 4.113 2.002) 5.650 16.874 ( -1.143 2.610 0.606) 2.912 16.881 ( -0.994 -1.750 -1.728) 2.653 16.960 ( -1.458 1.033 4.078) 4.452 16.988 ( -1.874 -3.342 -0.049) 3.831 17.062 ( 2.103 -2.387 -0.591) 3.235 17.127 ( -1.761 3.733 3.772) 5.592 17.166 ( -3.342 1.179 -2.886) 4.570 17.225 ( -1.047 -1.523 -3.356) 3.831 17.255 ( 0.706 -4.323 -1.399) 4.598 17.306 ( -2.434 -1.020 1.753) 3.168 17.368 ( 1.544 1.200 0.018) 1.956 17.395 ( -0.021 1.694 -1.702) 2.401 17.410 ( -2.975 1.534 4.480) 5.592 17.483 ( 2.835 -0.283 4.992) 5.748 17.538 ( 2.719 -0.882 0.304) 2.875 17.591 ( 5.969 -2.006 5.323) 8.245 17.639 ( 5.090 5.374 5.623) 9.295 17.704 ( 1.823 0.676 0.455) 1.997 17.726 ( 0.774 1.990 -0.665) 2.237 17.795 ( 1.485 -0.401 -5.090) 5.317 17.897 ( 2.107 2.862 -0.394) 3.576 17.937 ( 0.933 4.800 1.610) 5.148 17.998 ( -0.180 0.525 5.942) 5.968 18.134 ( -1.752 0.293 0.652) 1.892 18.192 ( -6.512 -1.734 6.338) 9.251 18.229 ( 3.047 0.874 7.051) 7.730 18.301 ( -3.748 -2.805 1.819) 5.022 18.454 ( 4.380 -0.960 -2.447) 5.108 18.482 ( 0.064 -0.465 -2.996) 3.032 18.507 ( 2.649 -3.884 -2.074) 5.138 18.615 ( -4.063 1.930 4.409) 6.299 18.784 ( 0.904 -1.869 -4.194) 4.680 18.895 ( 7.074 5.641 3.929) 9.864 18.930 ( -2.852 -1.175 6.462) 7.160 19.086 ( 0.604 3.601 3.036) 4.748 19.265 ( -1.032 1.454 -2.948) 3.446 19.364 ( -3.048 0.342 -2.235) 3.795 19.457 ( 1.462 2.774 -0.304) 3.150 19.538 ( 3.689 1.935 -2.069) 4.652 19.685 ( 1.666 7.238 3.678) 8.288 19.827 ( 4.542 6.258 0.529) 7.751 20.117 ( -2.806 -1.153 2.143) 3.714 20.139 ( -1.257 -2.454 1.020) 2.939 20.997 ( 1.933 0.701 -1.331) 2.449 21.205 ( -2.745 -1.065 -5.978) 6.664 21.322 ( -3.079 -5.826 -0.672) 6.624 21.374 ( -3.450 -2.851 -0.518) 4.505 21.422 ( -1.557 -7.762 -4.116) 8.922 21.453 ( -2.087 -5.628 -0.423) 6.017 21.651 ( -7.328 -0.291 -6.514) 9.809 21.799 ( -7.805 -3.231 -9.177) 12.473 ======================= Grid point 44 (19/36) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 29.377 18.724 19.002) 39.682 2.245 ( 31.157 19.389 19.743) 41.671 3.160 ( 43.724 20.777 19.725) 52.273 3.225 ( -24.016 6.301 6.034) 25.551 3.330 ( -19.835 7.145 5.529) 21.796 3.657 ( 5.321 0.328 -9.720) 11.086 3.725 ( 5.862 -11.625 -0.720) 13.039 3.785 ( 3.630 0.215 -12.755) 13.263 3.900 ( 1.102 -11.570 -1.772) 11.757 4.081 ( -3.844 -2.198 -3.789) 5.827 4.136 ( -4.155 -4.345 -3.057) 6.745 4.214 ( -3.119 -5.903 -1.223) 6.787 4.226 ( -3.267 -2.667 -1.812) 4.590 4.263 ( -2.757 -2.111 -1.424) 3.753 4.368 ( -1.542 -8.706 -2.959) 9.324 4.402 ( -3.837 -7.610 -1.138) 8.599 4.466 ( -8.148 -9.196 -6.005) 13.676 4.678 ( 1.740 1.730 -0.899) 2.613 4.750 ( -6.896 2.745 2.959) 7.991 4.824 ( -2.127 -0.707 4.048) 4.627 4.843 ( -0.530 2.547 0.581) 2.666 4.875 ( -7.015 2.140 1.498) 7.486 4.965 ( 2.720 4.134 -0.599) 4.984 4.998 ( 2.554 2.647 0.185) 3.683 5.957 ( 3.599 1.991 4.350) 5.986 6.014 ( -1.101 3.420 3.796) 5.227 6.046 ( 2.771 3.471 1.701) 4.756 6.077 ( 0.613 2.991 3.047) 4.313 6.336 ( 1.457 0.959 -3.023) 3.490 6.479 ( 4.395 0.138 -1.909) 4.793 6.500 ( -3.522 -0.233 -0.899) 3.642 6.620 ( -2.191 -5.141 -1.548) 5.798 6.686 ( 2.655 -1.911 -1.191) 3.482 6.708 ( 1.832 -1.319 -4.694) 5.208 6.792 ( -0.611 -2.636 0.552) 2.761 6.914 ( 5.169 4.077 -2.924) 7.203 6.952 ( 4.097 2.099 1.563) 4.861 6.960 ( -3.919 -0.636 -1.409) 4.213 7.193 ( 6.550 8.335 4.657) 11.579 7.263 ( -0.473 -0.129 -1.409) 1.492 7.334 ( 10.078 3.697 0.526) 10.747 7.355 ( -2.253 1.763 0.023) 2.861 7.414 ( 2.466 -6.666 2.223) 7.447 7.501 ( 1.130 -0.479 1.619) 2.031 7.642 ( -3.827 4.961 0.182) 6.268 7.650 ( -1.049 0.454 1.372) 1.786 7.749 ( -2.077 -4.330 2.855) 5.587 7.817 ( 3.979 0.649 5.952) 7.189 7.936 ( -0.988 5.061 -0.705) 5.205 8.033 ( -0.131 1.212 -0.439) 1.296 8.061 ( -0.258 1.707 0.780) 1.894 8.128 ( -8.039 5.608 -0.992) 9.852 8.208 ( -1.859 -0.163 5.108) 5.439 8.221 ( -2.310 2.036 0.138) 3.083 8.331 ( -4.575 1.336 1.579) 5.021 8.375 ( -0.014 -0.058 -2.999) 3.000 8.450 ( 2.860 -0.272 -3.711) 4.693 8.550 ( 0.128 3.266 0.576) 3.319 8.571 ( -4.853 -0.736 -1.857) 5.248 8.704 ( -2.964 -6.302 1.025) 7.039 8.747 ( 1.817 -1.433 0.784) 2.444 8.756 ( 0.153 4.064 -1.949) 4.510 8.876 ( -0.006 -0.707 -3.441) 3.513 8.940 ( -2.432 -0.171 -1.798) 3.029 8.995 ( 2.316 -2.844 3.877) 5.337 9.018 ( 3.294 -0.024 -2.535) 4.156 9.060 ( 2.737 -0.209 1.560) 3.157 9.099 ( -0.396 4.626 -4.263) 6.303 9.213 ( -1.192 -1.526 -5.587) 5.913 9.244 ( -3.322 -2.604 -0.874) 4.311 9.303 ( -1.550 -0.591 2.390) 2.910 9.372 ( 1.538 0.316 3.832) 4.141 9.407 ( 0.259 -3.217 6.049) 6.856 9.446 ( 0.600 -2.484 1.674) 3.055 9.456 ( 1.880 -2.572 2.513) 4.058 9.480 ( 0.238 -1.449 4.036) 4.295 9.544 ( -2.174 -1.585 1.083) 2.901 9.577 ( 2.887 0.403 2.350) 3.744 9.673 ( 6.996 0.076 0.787) 7.041 9.719 ( 0.995 1.560 3.158) 3.660 9.759 ( 3.888 3.066 -1.016) 5.054 9.831 ( -0.086 2.949 1.750) 3.430 9.862 ( 0.331 0.267 -1.882) 1.929 9.916 ( -0.547 -0.741 -2.160) 2.348 9.949 ( 0.881 -0.192 -0.043) 0.903 10.044 ( -4.583 2.527 0.713) 5.282 10.126 ( -1.541 -0.090 -3.039) 3.408 10.151 ( -2.741 -1.420 0.022) 3.087 10.253 ( -0.252 -3.284 -1.482) 3.611 10.327 ( 0.535 -1.929 -3.707) 4.213 10.344 ( 2.681 -9.663 -4.914) 11.168 10.398 ( -2.722 1.593 -0.289) 3.167 10.475 ( -3.346 -6.441 -4.953) 8.787 10.541 ( -4.284 -3.768 -2.290) 6.147 10.610 ( 2.809 -6.757 -1.555) 7.481 10.711 ( -1.921 -2.963 0.815) 3.625 10.756 ( 2.211 -2.446 -1.280) 3.537 10.789 ( 7.978 -1.052 1.982) 8.287 10.831 ( -1.402 2.243 0.082) 2.647 10.872 ( 4.521 2.978 1.488) 5.614 11.015 ( 2.645 2.150 0.605) 3.462 11.048 ( 1.360 0.027 -0.004) 1.361 11.059 ( -0.447 0.516 -1.631) 1.768 11.099 ( 2.562 0.421 2.128) 3.357 11.152 ( -0.803 0.193 4.763) 4.834 11.180 ( -0.945 0.610 -1.598) 1.954 11.258 ( -4.341 0.204 4.119) 5.987 11.329 ( 2.347 5.104 0.987) 5.704 11.395 ( -2.378 -1.838 -2.373) 3.829 11.464 ( -1.019 6.666 2.656) 7.247 11.605 ( -0.292 -1.214 0.391) 1.309 11.619 ( -1.289 -0.322 -5.037) 5.210 11.652 ( -2.242 3.933 -3.133) 5.505 11.680 ( -2.565 2.513 0.657) 3.651 11.772 ( -5.540 -5.086 -2.417) 7.900 11.833 ( -7.131 0.943 -2.844) 7.735 11.876 ( -1.801 0.714 -1.790) 2.637 11.928 ( -3.345 1.098 1.700) 3.910 12.052 ( -2.344 3.503 -2.916) 5.125 12.084 ( -2.294 1.480 1.262) 3.008 12.179 ( -0.195 5.129 -1.485) 5.343 12.253 ( -0.673 3.506 2.170) 4.178 12.336 ( -3.171 0.559 -2.971) 4.381 12.395 ( -2.040 -1.856 -4.973) 5.687 12.472 ( 2.016 -2.166 0.388) 2.984 12.512 ( 3.779 -2.510 0.531) 4.568 12.565 ( 0.433 -2.274 0.293) 2.333 12.675 ( -2.657 -3.856 1.189) 4.832 12.697 ( -1.635 0.758 2.652) 3.206 12.729 ( -1.880 -0.226 0.433) 1.942 12.769 ( 1.226 0.778 4.437) 4.669 12.824 ( 0.260 1.496 0.941) 1.787 12.844 ( 1.887 1.162 1.790) 2.849 12.918 ( -2.466 2.508 -1.557) 3.847 12.945 ( -1.654 0.485 -0.014) 1.724 12.979 ( -1.810 -1.918 0.899) 2.786 13.001 ( 4.199 2.068 3.345) 5.753 13.020 ( 3.644 -0.966 0.726) 3.839 13.175 ( 2.638 -3.201 -2.855) 5.036 13.254 ( 2.023 1.851 -2.509) 3.717 13.287 ( -2.326 -2.296 3.109) 4.511 13.340 ( -0.996 0.802 0.197) 1.294 13.422 ( 1.503 -2.679 -2.305) 3.840 13.458 ( 4.149 -0.750 -0.261) 4.225 13.559 ( 0.869 0.015 -3.216) 3.332 13.634 ( -2.535 -4.113 -2.976) 5.674 13.646 ( 0.896 3.385 -5.479) 6.502 13.766 ( -4.490 -1.319 -2.635) 5.370 13.779 ( 3.136 2.282 0.625) 3.928 13.896 ( -0.309 -0.251 1.262) 1.323 13.948 ( -1.703 -0.070 -1.802) 2.480 14.010 ( -4.147 -1.057 1.898) 4.681 14.048 ( 3.759 1.268 1.662) 4.301 14.112 ( 0.519 4.052 0.877) 4.178 14.241 ( -4.475 3.633 2.330) 6.217 14.293 ( -4.918 3.053 2.222) 6.200 14.470 ( 4.240 -3.492 -2.717) 6.128 14.525 ( 2.590 -7.003 0.122) 7.468 14.614 ( -2.699 1.716 4.551) 5.562 14.621 ( -2.045 3.977 -0.987) 4.580 14.795 ( 4.788 -1.363 -4.038) 6.410 14.872 ( 3.022 3.553 -0.351) 4.677 14.963 ( -2.470 -1.777 -0.392) 3.068 14.971 ( 1.663 1.438 -3.047) 3.758 15.067 ( 2.858 1.395 -1.067) 3.355 15.197 ( -2.418 -1.044 2.692) 3.766 15.378 ( 2.133 -2.541 -4.018) 5.211 15.475 ( -2.351 -1.939 -0.906) 3.179 15.566 ( 5.913 -7.926 4.119) 10.713 15.628 ( 8.616 0.049 -0.640) 8.640 15.673 ( 2.880 0.351 0.168) 2.906 15.742 ( 0.947 -2.169 0.090) 2.369 15.794 ( 1.497 -6.851 0.386) 7.023 15.833 ( 4.323 -3.057 1.329) 5.459 15.893 ( 4.165 -2.144 5.889) 7.525 15.909 ( 0.588 -4.178 1.073) 4.353 16.034 ( 0.453 -4.688 2.786) 5.473 16.152 ( 4.464 -0.556 -3.243) 5.546 16.201 ( -6.289 -1.004 -0.852) 6.425 16.271 ( -1.397 6.685 -3.504) 7.676 16.345 ( 1.396 -0.721 -4.149) 4.437 16.387 ( 0.059 4.772 -1.738) 5.078 16.431 ( 1.451 0.310 -1.050) 1.818 16.465 ( -4.580 2.449 -1.575) 5.427 16.552 ( -0.630 0.967 1.042) 1.555 16.655 ( -0.767 5.305 -2.558) 5.939 16.664 ( -1.380 -0.505 -2.621) 3.005 16.685 ( 2.373 1.167 0.663) 2.726 16.728 ( -0.334 0.235 1.223) 1.289 16.849 ( -1.062 -0.181 2.581) 2.797 16.901 ( -1.214 -0.320 -0.556) 1.373 16.906 ( -1.691 0.315 -1.181) 2.087 16.954 ( 0.599 0.962 1.741) 2.078 17.063 ( -2.857 3.835 -1.341) 4.967 17.084 ( -0.294 -2.240 -0.546) 2.324 17.123 ( -2.111 3.731 2.116) 4.781 17.180 ( -3.874 0.397 -0.673) 3.952 17.216 ( -5.253 0.320 3.699) 6.432 17.293 ( 2.737 -3.191 -3.349) 5.375 17.374 ( 1.502 3.214 3.045) 4.675 17.387 ( -0.830 -0.588 -1.377) 1.712 17.428 ( 1.330 3.281 1.470) 3.833 17.539 ( 3.159 -2.489 7.602) 8.600 17.579 ( 1.627 0.918 2.715) 3.296 17.635 ( -1.416 -0.479 1.282) 1.969 17.708 ( -2.626 3.927 4.178) 6.306 17.756 ( 6.176 1.680 2.070) 6.727 17.791 ( 6.147 -0.718 0.559) 6.214 17.837 ( 1.659 -3.583 -2.590) 4.722 17.936 ( 1.405 4.149 2.093) 4.855 17.962 ( 3.657 0.706 1.515) 4.021 17.994 ( -0.150 6.381 1.709) 6.608 18.076 ( -2.460 -0.119 3.855) 4.575 18.146 ( 1.503 -0.210 2.337) 2.786 18.184 ( -5.236 -3.212 0.824) 6.198 18.331 ( 3.808 -3.433 5.257) 7.343 18.451 ( -0.852 0.051 -1.521) 1.744 18.528 ( -2.432 0.657 2.891) 3.835 18.560 ( 2.341 -2.834 2.402) 4.391 18.668 ( 9.818 -0.198 -4.933) 10.989 18.783 ( 1.097 4.197 0.130) 4.340 18.808 ( -6.328 -2.050 6.199) 9.093 18.978 ( -1.153 3.069 -0.915) 3.404 19.052 ( -4.922 5.468 2.719) 7.843 19.282 ( 3.712 4.455 -0.861) 5.863 19.389 ( 5.438 -1.891 -1.152) 5.871 19.481 ( -0.680 1.619 1.683) 2.432 19.544 ( -2.232 4.184 -1.416) 4.949 19.768 ( 7.213 4.077 3.240) 8.897 19.949 ( 7.261 1.811 -1.783) 7.693 20.039 ( -5.290 0.565 1.128) 5.438 20.118 ( -1.547 -2.483 -0.158) 2.929 21.061 ( 5.195 -0.494 -1.837) 5.532 21.168 ( -0.632 -1.426 -3.409) 3.749 21.258 ( -3.178 -4.252 -0.990) 5.400 21.299 ( -3.996 -2.643 -0.921) 4.878 21.339 ( -6.078 -4.982 -2.280) 8.183 21.448 ( 0.770 -6.592 -6.076) 8.998 21.480 ( -9.671 -1.135 -5.020) 10.955 21.643 ( -8.302 -6.411 -8.992) 13.816 ======================= Grid point 45 (20/36) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( -30.828 11.743 12.570) 35.303 2.692 ( 30.828 11.743 12.570) 35.303 2.822 ( -30.832 14.880 14.598) 37.218 2.822 ( 30.832 14.880 14.598) 37.218 3.746 ( -6.398 -3.623 -3.140) 7.995 3.746 ( 6.398 -3.623 -3.140) 7.995 3.831 ( -4.725 -2.874 -10.740) 12.080 3.831 ( 4.725 -2.874 -10.740) 12.080 3.965 ( -15.489 -3.791 -1.604) 16.027 3.965 ( 15.489 -3.791 -1.604) 16.027 4.136 ( -12.899 0.701 2.805) 13.219 4.136 ( 12.899 0.701 2.805) 13.219 4.195 ( -1.112 -2.829 -2.258) 3.787 4.195 ( 1.112 -2.829 -2.258) 3.787 4.350 ( -4.740 -8.600 -3.936) 10.579 4.350 ( 4.740 -8.600 -3.936) 10.579 4.435 ( -8.716 -7.823 0.704) 11.733 4.435 ( 8.716 -7.823 0.704) 11.733 4.777 ( -3.643 -0.128 3.466) 5.030 4.777 ( 3.643 -0.128 3.466) 5.030 4.835 ( -2.075 5.044 0.744) 5.505 4.835 ( 2.075 5.044 0.744) 5.505 5.012 ( -1.257 4.651 -1.115) 4.945 5.012 ( 1.257 4.651 -1.115) 4.945 5.998 ( -1.024 2.531 4.035) 4.872 5.998 ( 1.024 2.531 4.035) 4.872 6.079 ( -0.876 2.792 1.678) 3.373 6.079 ( 0.876 2.792 1.678) 3.373 6.394 ( -4.773 -1.819 -4.319) 6.689 6.394 ( 4.773 -1.819 -4.319) 6.689 6.568 ( -3.087 -4.675 1.270) 5.744 6.568 ( 3.087 -4.675 1.270) 5.744 6.710 ( -0.332 1.924 -3.230) 3.775 6.710 ( 0.332 1.924 -3.230) 3.775 6.823 ( -5.760 0.333 -2.335) 6.224 6.823 ( 5.760 0.333 -2.335) 6.224 7.058 ( -3.357 4.187 -0.986) 5.456 7.058 ( 3.357 4.187 -0.986) 5.456 7.225 ( -3.763 2.880 2.525) 5.370 7.225 ( 3.763 2.880 2.525) 5.370 7.342 ( -8.005 -1.864 3.422) 8.903 7.342 ( 8.005 -1.864 3.422) 8.903 7.518 ( -6.548 3.685 3.553) 8.312 7.518 ( 6.548 3.685 3.553) 8.312 7.665 ( -8.426 -4.598 1.250) 9.680 7.665 ( 8.426 -4.598 1.250) 9.680 7.767 ( -11.465 7.044 -6.529) 14.957 7.767 ( 11.465 7.044 -6.529) 14.957 7.939 ( -2.166 1.824 6.207) 6.822 7.939 ( 2.166 1.824 6.207) 6.822 8.098 ( -2.366 1.725 1.864) 3.472 8.098 ( 2.366 1.725 1.864) 3.472 8.171 ( -2.261 1.723 5.815) 6.472 8.171 ( 2.261 1.723 5.815) 6.472 8.317 ( -4.554 -0.705 -1.395) 4.815 8.317 ( 4.554 -0.705 -1.395) 4.815 8.506 ( -1.717 5.003 -1.692) 5.554 8.506 ( 1.717 5.003 -1.692) 5.554 8.612 ( -5.022 -3.405 -0.869) 6.129 8.612 ( 5.022 -3.405 -0.869) 6.129 8.787 ( -2.902 -2.512 1.263) 4.041 8.787 ( 2.902 -2.512 1.263) 4.041 8.855 ( -2.813 5.183 -2.807) 6.532 8.855 ( 2.813 5.183 -2.807) 6.532 9.078 ( -2.445 -3.027 -0.085) 3.891 9.078 ( 2.445 -3.027 -0.085) 3.891 9.105 ( -3.971 -1.483 0.641) 4.287 9.105 ( 3.971 -1.483 0.641) 4.287 9.172 ( -2.391 -1.906 -7.051) 7.686 9.172 ( 2.391 -1.906 -7.051) 7.686 9.334 ( -4.848 -1.088 4.583) 6.760 9.334 ( 4.848 -1.088 4.583) 6.760 9.427 ( -1.153 -1.355 3.328) 3.773 9.427 ( 1.153 -1.355 3.328) 3.773 9.459 ( -1.884 1.094 -0.341) 2.205 9.459 ( 1.884 1.094 -0.341) 2.205 9.569 ( -2.601 -3.962 5.560) 7.306 9.569 ( 2.601 -3.962 5.560) 7.306 9.764 ( -2.239 3.102 1.273) 4.032 9.764 ( 2.239 3.102 1.273) 4.032 9.832 ( -5.730 0.960 -0.293) 5.817 9.832 ( 5.730 0.960 -0.293) 5.817 9.880 ( -5.271 -0.615 -0.178) 5.309 9.880 ( 5.271 -0.615 -0.178) 5.309 9.974 ( -3.916 2.965 -0.574) 4.945 9.974 ( 3.916 2.965 -0.574) 4.945 10.131 ( -1.661 -2.842 -5.037) 6.017 10.131 ( 1.661 -2.842 -5.037) 6.017 10.277 ( -5.231 -2.832 -4.442) 7.424 10.277 ( 5.231 -2.832 -4.442) 7.424 10.355 ( -3.776 -4.716 -4.850) 7.747 10.355 ( 3.776 -4.716 -4.850) 7.747 10.480 ( -3.637 -7.769 -2.619) 8.969 10.480 ( 3.637 -7.769 -2.619) 8.969 10.622 ( -2.556 -1.559 -0.296) 3.008 10.622 ( 2.556 -1.559 -0.296) 3.008 10.841 ( -2.349 0.504 1.474) 2.819 10.841 ( 2.349 0.504 1.474) 2.819 10.919 ( -6.431 1.447 1.493) 6.759 10.919 ( 6.431 1.447 1.493) 6.759 11.026 ( -6.678 -0.077 1.854) 6.931 11.026 ( 6.678 -0.077 1.854) 6.931 11.084 ( -2.033 2.241 1.012) 3.191 11.084 ( 2.033 2.241 1.012) 3.191 11.103 ( -3.609 2.605 3.093) 5.420 11.103 ( 3.609 2.605 3.093) 5.420 11.356 ( -6.972 -2.721 3.647) 8.326 11.356 ( 6.972 -2.721 3.647) 8.326 11.413 ( -2.753 -3.539 -3.429) 5.645 11.413 ( 2.753 -3.539 -3.429) 5.645 11.606 ( -2.206 2.196 0.262) 3.124 11.606 ( 2.206 2.196 0.262) 3.124 11.652 ( -5.221 3.401 -0.027) 6.231 11.652 ( 5.221 3.401 -0.027) 6.231 11.709 ( -3.445 -0.267 -4.781) 5.899 11.709 ( 3.445 -0.267 -4.781) 5.899 11.862 ( -1.273 1.801 -1.386) 2.605 11.862 ( 1.273 1.801 -1.386) 2.605 12.062 ( -1.539 1.495 -2.127) 3.022 12.062 ( 1.539 1.495 -2.127) 3.022 12.203 ( -3.437 7.317 1.326) 8.192 12.203 ( 3.437 7.317 1.326) 8.192 12.337 ( -3.054 -1.249 -5.290) 6.234 12.337 ( 3.054 -1.249 -5.290) 6.234 12.540 ( -1.920 -4.401 1.971) 5.191 12.540 ( 1.920 -4.401 1.971) 5.191 12.602 ( -3.577 -3.896 -0.203) 5.293 12.602 ( 3.577 -3.896 -0.203) 5.293 12.686 ( -1.367 2.065 3.461) 4.255 12.686 ( 1.367 2.065 3.461) 4.255 12.811 ( -2.708 -0.090 0.874) 2.847 12.811 ( 2.708 -0.090 0.874) 2.847 12.868 ( -1.516 1.633 -0.929) 2.414 12.868 ( 1.516 1.633 -0.929) 2.414 12.941 ( -1.551 0.250 1.720) 2.329 12.941 ( 1.551 0.250 1.720) 2.329 13.067 ( -0.596 -0.567 2.804) 2.922 13.067 ( 0.596 -0.567 2.804) 2.922 13.222 ( -3.188 -1.324 0.395) 3.474 13.222 ( 3.188 -1.324 0.395) 3.474 13.302 ( -2.394 2.430 0.671) 3.477 13.302 ( 2.394 2.430 0.671) 3.477 13.482 ( -2.944 -0.328 -0.486) 3.002 13.482 ( 2.944 -0.328 -0.486) 3.002 13.569 ( -1.261 -3.603 -5.632) 6.804 13.569 ( 1.261 -3.603 -5.632) 6.804 13.691 ( -2.960 0.607 -3.737) 4.806 13.691 ( 2.960 0.607 -3.737) 4.806 13.867 ( -5.107 -0.154 -0.936) 5.194 13.867 ( 5.107 -0.154 -0.936) 5.194 13.935 ( -3.203 0.430 0.439) 3.262 13.935 ( 3.203 0.430 0.439) 3.262 14.147 ( -5.703 5.393 2.261) 8.168 14.147 ( 5.703 5.393 2.261) 8.168 14.175 ( -6.157 3.100 2.925) 7.488 14.175 ( 6.157 3.100 2.925) 7.488 14.549 ( -3.204 -6.349 -1.439) 7.256 14.549 ( 3.204 -6.349 -1.439) 7.256 14.574 ( -1.072 3.116 3.130) 4.545 14.574 ( 1.072 3.116 3.130) 4.545 14.880 ( -4.089 0.511 -3.324) 5.294 14.880 ( 4.089 0.511 -3.324) 5.294 14.955 ( -2.512 0.370 -0.933) 2.705 14.955 ( 2.512 0.370 -0.933) 2.705 15.138 ( -3.926 0.094 -0.038) 3.928 15.138 ( 3.926 0.094 -0.038) 3.928 15.419 ( -2.803 -1.791 -2.630) 4.240 15.419 ( 2.803 -1.791 -2.630) 4.240 15.646 ( -3.343 -5.150 3.715) 7.177 15.646 ( 3.343 -5.150 3.715) 7.177 15.747 ( -2.213 0.130 1.237) 2.538 15.747 ( 2.213 0.130 1.237) 2.538 15.846 ( -3.777 -7.787 0.064) 8.655 15.846 ( 3.777 -7.787 0.064) 8.655 15.954 ( -3.804 -2.569 -0.443) 4.612 15.954 ( 3.804 -2.569 -0.443) 4.612 16.059 ( -4.826 -1.614 0.944) 5.176 16.059 ( 4.826 -1.614 0.944) 5.176 16.232 ( -3.098 3.551 -2.622) 5.393 16.232 ( 3.098 3.551 -2.622) 5.393 16.358 ( -0.572 2.545 -3.211) 4.137 16.358 ( 0.572 2.545 -3.211) 4.137 16.440 ( -1.002 0.140 0.101) 1.017 16.440 ( 1.002 0.140 0.101) 1.017 16.602 ( -4.000 2.587 0.106) 4.765 16.602 ( 4.000 2.587 0.106) 4.765 16.681 ( -1.899 -0.038 -3.695) 4.155 16.681 ( 1.899 -0.038 -3.695) 4.155 16.767 ( -4.877 1.356 2.405) 5.604 16.767 ( 4.877 1.356 2.405) 5.604 16.898 ( -1.358 -1.355 0.408) 1.961 16.898 ( 1.358 -1.355 0.408) 1.961 17.013 ( -3.578 4.160 -0.902) 5.560 17.013 ( 3.578 4.160 -0.902) 5.560 17.089 ( -1.157 -0.003 1.231) 1.689 17.089 ( 1.157 -0.003 1.231) 1.689 17.141 ( -1.972 2.294 2.411) 3.869 17.141 ( 1.972 2.294 2.411) 3.869 17.346 ( -2.794 -3.267 -2.799) 5.130 17.346 ( 2.794 -3.267 -2.799) 5.130 17.422 ( -2.099 6.288 2.684) 7.152 17.422 ( 2.099 6.288 2.684) 7.152 17.581 ( -1.135 -3.234 5.577) 6.546 17.581 ( 1.135 -3.234 5.577) 6.546 17.645 ( -3.063 3.852 4.576) 6.720 17.645 ( 3.063 3.852 4.576) 6.720 17.826 ( -2.084 -4.667 -3.078) 5.966 17.826 ( 2.084 -4.667 -3.078) 5.966 17.909 ( -5.674 4.587 4.659) 8.657 17.909 ( 5.674 4.587 4.659) 8.657 18.007 ( -4.398 -0.126 1.622) 4.689 18.007 ( 4.398 -0.126 1.622) 4.689 18.076 ( -3.678 0.259 0.178) 3.692 18.076 ( 3.678 0.259 0.178) 3.692 18.276 ( -8.549 -1.393 0.050) 8.662 18.276 ( 8.549 -1.393 0.050) 8.662 18.473 ( -2.975 0.656 2.786) 4.128 18.473 ( 2.975 0.656 2.786) 4.128 18.643 ( -7.148 -1.382 5.934) 9.393 18.643 ( 7.148 -1.382 5.934) 9.393 18.848 ( -6.884 1.104 -3.608) 7.850 18.848 ( 6.884 1.104 -3.608) 7.850 18.933 ( -6.193 3.894 0.094) 7.316 18.933 ( 6.193 3.894 0.094) 7.316 19.394 ( -6.744 4.446 1.907) 8.300 19.394 ( 6.744 4.446 1.907) 8.300 19.493 ( -4.129 0.003 -0.729) 4.193 19.493 ( 4.129 0.003 -0.729) 4.193 19.912 ( -7.620 2.109 1.597) 8.066 19.912 ( 7.620 2.109 1.597) 8.066 20.067 ( -4.323 -0.952 -1.820) 4.786 20.067 ( 4.323 -0.952 -1.820) 4.786 21.162 ( -3.456 -3.032 -1.415) 4.810 21.162 ( 3.456 -3.032 -1.415) 4.810 21.229 ( -2.828 -1.325 -2.385) 3.930 21.229 ( 2.828 -1.325 -2.385) 3.930 21.312 ( -5.375 -1.886 -2.523) 6.230 21.312 ( 5.375 -1.886 -2.523) 6.230 21.514 ( -5.345 -8.011 -8.387) 12.771 21.514 ( 5.345 -8.011 -8.387) 12.771 ======================= Grid point 49 (21/36) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 0.000 37.083 17.768) 41.120 2.176 ( 0.000 33.080 22.289) 39.888 2.875 ( 0.000 -29.923 12.812) 32.550 2.913 ( 0.000 -28.777 12.406) 31.338 3.210 ( 0.000 45.971 19.173) 49.809 3.660 ( 0.000 10.799 -16.004) 19.306 3.817 ( 0.000 6.989 -18.131) 19.432 3.893 ( 0.000 -1.407 -13.884) 13.955 4.087 ( 0.000 -9.294 0.554) 9.311 4.119 ( 0.000 -9.740 -13.597) 16.726 4.181 ( 0.000 -9.440 0.377) 9.447 4.215 ( 0.000 -4.695 -2.409) 5.277 4.223 ( 0.000 -11.499 5.257) 12.644 4.244 ( 0.000 -3.623 1.190) 3.813 4.495 ( 0.000 0.160 0.551) 0.574 4.497 ( 0.000 0.109 2.031) 2.034 4.582 ( 0.000 3.390 2.039) 3.956 4.594 ( 0.000 2.121 3.348) 3.964 4.705 ( 0.000 -2.025 -4.240) 4.699 4.718 ( 0.000 -2.557 -0.176) 2.563 4.763 ( 0.000 2.071 1.299) 2.445 4.812 ( 0.000 -1.403 -2.570) 2.928 5.034 ( 0.000 0.509 2.815) 2.861 5.056 ( 0.000 -0.314 0.782) 0.843 5.978 ( 0.000 6.041 2.593) 6.574 6.029 ( 0.000 5.149 3.762) 6.377 6.129 ( 0.000 3.694 7.431) 8.299 6.146 ( 0.000 0.577 4.500) 4.537 6.330 ( 0.000 -2.811 0.657) 2.886 6.341 ( 0.000 -2.089 -2.033) 2.915 6.463 ( 0.000 -0.033 -0.392) 0.394 6.484 ( 0.000 -1.914 0.951) 2.138 6.636 ( 0.000 4.182 2.011) 4.640 6.723 ( 0.000 -3.041 -5.640) 6.408 6.759 ( 0.000 -1.758 2.511) 3.065 6.843 ( 0.000 -8.108 0.654) 8.134 6.905 ( 0.000 1.933 -8.902) 9.110 6.948 ( 0.000 0.041 -7.136) 7.136 6.981 ( 0.000 3.627 0.331) 3.642 7.029 ( 0.000 0.830 1.509) 1.723 7.353 ( 0.000 -3.332 3.055) 4.521 7.392 ( 0.000 -5.470 -3.572) 6.533 7.403 ( 0.000 11.461 -0.173) 11.462 7.526 ( 0.000 10.412 3.701) 11.050 7.689 ( 0.000 -1.908 4.963) 5.317 7.690 ( 0.000 -10.971 -1.504) 11.073 7.814 ( 0.000 -1.111 8.629) 8.700 7.837 ( 0.000 -0.799 2.982) 3.087 7.915 ( 0.000 -3.057 5.178) 6.013 7.971 ( 0.000 -5.501 -7.488) 9.291 8.104 ( 0.000 4.556 1.963) 4.961 8.155 ( 0.000 1.437 -4.084) 4.329 8.326 ( 0.000 2.758 2.854) 3.969 8.339 ( 0.000 0.388 -1.948) 1.987 8.413 ( 0.000 1.544 -2.035) 2.554 8.432 ( 0.000 -2.021 0.392) 2.059 8.575 ( 0.000 1.901 -1.451) 2.391 8.599 ( 0.000 1.955 -11.702) 11.864 8.629 ( 0.000 6.281 0.326) 6.290 8.644 ( 0.000 0.429 -3.047) 3.077 8.737 ( 0.000 -3.970 2.322) 4.599 8.802 ( 0.000 0.134 -2.873) 2.876 8.850 ( 0.000 0.667 1.581) 1.716 8.893 ( 0.000 -4.167 -1.909) 4.583 8.923 ( 0.000 0.535 3.884) 3.921 8.942 ( 0.000 1.604 -0.036) 1.605 9.114 ( 0.000 -1.242 2.047) 2.395 9.114 ( 0.000 -0.873 1.368) 1.623 9.199 ( 0.000 6.077 1.123) 6.180 9.253 ( 0.000 1.303 5.605) 5.754 9.300 ( 0.000 0.149 -3.238) 3.242 9.325 ( 0.000 -3.171 -4.243) 5.297 9.336 ( 0.000 0.016 7.308) 7.308 9.403 ( 0.000 -2.961 -3.586) 4.650 9.450 ( 0.000 1.908 0.986) 2.148 9.452 ( 0.000 3.064 -0.903) 3.194 9.554 ( 0.000 2.328 7.349) 7.709 9.591 ( 0.000 4.119 3.618) 5.482 9.652 ( 0.000 2.073 5.071) 5.478 9.705 ( 0.000 -0.119 -4.137) 4.139 9.769 ( 0.000 -4.633 3.634) 5.888 9.792 ( 0.000 -7.120 -2.180) 7.446 9.820 ( 0.000 -1.807 4.096) 4.477 9.853 ( 0.000 -6.417 0.419) 6.431 10.008 ( 0.000 -3.028 4.438) 5.373 10.024 ( 0.000 -2.797 1.670) 3.258 10.175 ( 0.000 -0.207 -4.379) 4.384 10.200 ( 0.000 -1.632 -5.396) 5.637 10.206 ( 0.000 -1.784 -0.762) 1.940 10.214 ( 0.000 -3.601 -7.861) 8.647 10.319 ( 0.000 -3.224 5.730) 6.575 10.319 ( 0.000 -3.807 -0.980) 3.931 10.437 ( 0.000 2.982 0.729) 3.070 10.443 ( 0.000 3.514 -1.086) 3.679 10.465 ( 0.000 2.143 2.405) 3.221 10.539 ( 0.000 -3.498 -0.617) 3.552 10.623 ( 0.000 8.049 5.098) 9.527 10.687 ( 0.000 1.013 6.749) 6.824 10.828 ( 0.000 3.038 2.237) 3.773 10.953 ( 0.000 -6.677 -1.899) 6.942 11.008 ( 0.000 -0.623 -0.813) 1.024 11.015 ( 0.000 -4.290 -0.797) 4.364 11.109 ( 0.000 5.100 -10.341) 11.530 11.162 ( 0.000 3.328 -7.145) 7.883 11.228 ( 0.000 0.729 -13.914) 13.933 11.237 ( 0.000 1.510 -3.040) 3.394 11.427 ( 0.000 4.834 2.073) 5.259 11.545 ( 0.000 1.317 2.996) 3.273 11.545 ( 0.000 3.598 -3.931) 5.329 11.587 ( 0.000 -2.702 0.807) 2.820 11.659 ( 0.000 8.317 -4.248) 9.339 11.663 ( 0.000 0.242 -1.268) 1.291 11.723 ( 0.000 -4.087 -0.942) 4.195 11.834 ( 0.000 3.576 -0.089) 3.577 11.854 ( 0.000 -3.177 -0.349) 3.196 11.947 ( 0.000 -10.862 -2.091) 11.061 11.990 ( 0.000 8.470 -3.024) 8.994 12.038 ( 0.000 5.986 3.084) 6.734 12.215 ( 0.000 0.301 6.145) 6.152 12.216 ( 0.000 1.979 0.813) 2.140 12.234 ( 0.000 5.055 1.295) 5.219 12.254 ( 0.000 -3.717 -3.350) 5.004 12.264 ( 0.000 -2.269 4.734) 5.250 12.418 ( 0.000 -6.486 0.274) 6.492 12.440 ( 0.000 1.926 3.492) 3.988 12.492 ( 0.000 -1.528 -0.569) 1.631 12.530 ( 0.000 1.485 1.404) 2.044 12.610 ( 0.000 -4.844 0.269) 4.851 12.729 ( 0.000 1.231 3.099) 3.335 12.748 ( 0.000 2.899 -2.516) 3.838 12.768 ( 0.000 0.487 2.543) 2.589 12.846 ( 0.000 2.323 -2.100) 3.131 12.875 ( 0.000 4.957 1.135) 5.085 12.884 ( 0.000 -2.800 -1.644) 3.247 12.946 ( 0.000 -2.123 0.922) 2.315 12.958 ( 0.000 -5.199 -0.853) 5.269 13.021 ( 0.000 -0.493 -4.670) 4.696 13.034 ( 0.000 -2.559 -2.892) 3.862 13.073 ( 0.000 2.739 -0.291) 2.754 13.108 ( 0.000 -1.345 -0.903) 1.620 13.211 ( 0.000 1.467 0.217) 1.483 13.278 ( 0.000 -3.617 0.965) 3.743 13.325 ( 0.000 0.816 -2.089) 2.242 13.361 ( 0.000 -2.858 -3.128) 4.237 13.592 ( 0.000 1.727 1.070) 2.032 13.634 ( 0.000 -1.956 -0.754) 2.097 13.750 ( 0.000 0.086 4.169) 4.170 13.751 ( 0.000 1.950 -1.618) 2.534 13.845 ( 0.000 -2.605 2.667) 3.728 13.849 ( 0.000 -1.641 -5.435) 5.678 13.965 ( 0.000 1.504 1.639) 2.225 13.987 ( 0.000 -0.348 1.120) 1.173 14.109 ( 0.000 -0.514 -2.018) 2.083 14.115 ( 0.000 0.329 3.508) 3.523 14.236 ( 0.000 2.158 -9.327) 9.573 14.298 ( 0.000 0.524 -0.469) 0.703 14.317 ( 0.000 -1.414 -2.516) 2.886 14.403 ( 0.000 -5.058 3.053) 5.907 14.638 ( 0.000 2.626 6.511) 7.021 14.724 ( 0.000 -3.978 7.176) 8.205 14.790 ( 0.000 3.020 0.066) 3.021 14.845 ( 0.000 1.076 -0.232) 1.100 14.881 ( 0.000 3.174 8.801) 9.356 14.918 ( 0.000 -1.451 4.400) 4.633 15.154 ( 0.000 0.936 -0.928) 1.318 15.177 ( 0.000 -0.774 -2.483) 2.600 15.390 ( 0.000 0.114 -0.518) 0.530 15.400 ( 0.000 -0.210 0.020) 0.211 15.469 ( 0.000 7.600 -3.617) 8.417 15.508 ( 0.000 -1.663 1.867) 2.500 15.534 ( 0.000 2.773 -4.258) 5.082 15.569 ( 0.000 -0.373 3.878) 3.895 15.659 ( 0.000 -3.139 3.213) 4.492 15.784 ( 0.000 -4.079 -1.085) 4.221 15.789 ( 0.000 1.418 13.216) 13.292 15.845 ( 0.000 -6.339 -0.137) 6.341 15.896 ( 0.000 -4.092 7.150) 8.238 15.910 ( 0.000 -2.400 1.240) 2.701 16.263 ( 0.000 1.182 -5.419) 5.547 16.301 ( 0.000 -1.912 -4.178) 4.595 16.389 ( 0.000 0.312 -3.732) 3.745 16.392 ( 0.000 1.048 -6.019) 6.110 16.527 ( 0.000 6.013 1.228) 6.137 16.614 ( 0.000 -1.147 7.234) 7.324 16.617 ( 0.000 1.526 3.264) 3.603 16.669 ( 0.000 -3.303 0.833) 3.406 16.715 ( 0.000 7.254 -9.089) 11.629 16.737 ( 0.000 3.225 -4.664) 5.670 16.832 ( 0.000 2.792 3.018) 4.112 16.845 ( 0.000 -1.118 -1.282) 1.701 16.934 ( 0.000 -4.225 -2.625) 4.974 16.948 ( 0.000 -3.667 -1.106) 3.830 16.999 ( 0.000 0.832 2.884) 3.001 17.023 ( 0.000 -0.880 2.010) 2.194 17.148 ( 0.000 1.440 -3.741) 4.008 17.188 ( 0.000 -0.823 2.796) 2.914 17.211 ( 0.000 1.474 1.396) 2.030 17.226 ( 0.000 0.462 -2.053) 2.104 17.304 ( 0.000 3.043 -2.524) 3.954 17.386 ( 0.000 -0.639 -6.166) 6.199 17.430 ( 0.000 1.556 1.902) 2.457 17.462 ( 0.000 -1.690 -0.847) 1.890 17.508 ( 0.000 1.251 -3.399) 3.622 17.510 ( 0.000 1.333 -5.411) 5.573 17.550 ( 0.000 1.918 6.082) 6.377 17.618 ( 0.000 -4.675 -0.989) 4.778 17.723 ( 0.000 4.180 4.168) 5.903 17.766 ( 0.000 -0.469 -3.420) 3.452 17.804 ( 0.000 7.624 4.505) 8.855 17.929 ( 0.000 -3.393 4.729) 5.821 17.936 ( 0.000 1.001 4.165) 4.284 18.009 ( 0.000 -6.778 5.944) 9.015 18.092 ( 0.000 9.563 4.941) 10.764 18.205 ( 0.000 -0.086 -1.451) 1.453 18.240 ( 0.000 -5.371 2.854) 6.082 18.320 ( 0.000 -3.413 5.016) 6.067 18.355 ( 0.000 1.987 2.243) 2.996 18.369 ( 0.000 -4.311 -3.258) 5.404 18.587 ( 0.000 -0.652 -2.150) 2.247 18.591 ( 0.000 -1.362 -5.041) 5.222 18.779 ( 0.000 6.453 6.586) 9.220 18.932 ( 0.000 -1.077 8.854) 8.919 18.967 ( 0.000 -0.996 4.630) 4.736 19.016 ( 0.000 0.504 3.425) 3.462 19.320 ( 0.000 2.254 -0.541) 2.318 19.374 ( 0.000 -2.022 0.582) 2.104 19.531 ( 0.000 1.929 -1.969) 2.756 19.532 ( 0.000 1.988 -4.407) 4.834 19.860 ( 0.000 8.747 -2.201) 9.019 19.999 ( 0.000 8.372 0.516) 8.388 20.030 ( 0.000 -6.490 -0.762) 6.534 20.121 ( 0.000 -3.117 0.870) 3.236 21.039 ( 0.000 4.631 -1.757) 4.954 21.185 ( 0.000 -8.177 -1.734) 8.359 21.211 ( 0.000 -0.101 -6.126) 6.127 21.269 ( 0.000 -5.621 -4.357) 7.112 21.359 ( 0.000 -1.188 0.923) 1.504 21.378 ( 0.000 -2.954 1.207) 3.191 21.739 ( 0.000 1.847 -8.434) 8.634 21.806 ( 0.000 -3.969 -10.008) 10.767 ======================= Grid point 50 (22/36) ======================= q-point: ( 0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 13.853 30.453 19.284) 38.615 2.355 ( 18.538 33.013 14.735) 40.628 2.947 ( 8.546 -27.771 10.930) 31.044 3.048 ( 12.425 -26.874 10.885) 31.545 3.365 ( 16.272 40.013 17.350) 46.549 3.638 ( -2.541 10.571 -12.288) 16.407 3.823 ( -1.137 -1.674 -12.514) 12.676 3.846 ( -5.715 6.819 -12.780) 15.572 4.015 ( -9.104 1.018 -2.410) 9.473 4.066 ( -4.052 -10.093 -8.720) 13.940 4.112 ( -6.526 -6.696 -0.901) 9.394 4.155 ( -3.176 -2.593 -4.918) 6.403 4.199 ( -3.902 -6.295 -0.274) 7.412 4.271 ( 1.012 -12.495 5.160) 13.557 4.390 ( -7.516 -1.810 1.401) 7.857 4.428 ( -5.809 -3.755 -0.876) 6.972 4.449 ( -8.071 -0.825 0.496) 8.129 4.475 ( -9.239 -2.575 1.588) 9.721 4.756 ( 5.514 3.149 -3.723) 7.361 4.817 ( 4.843 -0.210 -0.359) 4.861 4.849 ( 7.173 0.511 1.584) 7.364 4.890 ( 4.781 -2.053 0.782) 5.262 5.007 ( -1.996 2.306 1.112) 3.246 5.040 ( -2.400 -0.645 1.502) 2.904 5.989 ( 1.293 5.265 2.638) 6.029 6.059 ( 2.364 2.290 2.308) 4.020 6.111 ( -1.406 2.631 4.422) 5.334 6.135 ( -1.265 0.636 4.760) 4.966 6.366 ( 2.069 -0.659 0.350) 2.199 6.397 ( 4.176 -2.364 -1.669) 5.081 6.476 ( 1.219 1.005 -0.074) 1.582 6.523 ( 0.694 -2.011 1.138) 2.412 6.644 ( 3.785 3.452 -1.666) 5.387 6.697 ( -2.379 -2.466 -5.235) 6.257 6.756 ( 0.491 0.500 1.333) 1.506 6.822 ( 1.487 -3.618 5.992) 7.156 6.953 ( 4.649 -1.059 -5.061) 6.954 6.962 ( 2.368 -0.990 -8.057) 8.456 7.099 ( 10.916 3.573 -0.914) 11.522 7.158 ( 9.461 0.852 2.073) 9.723 7.316 ( -3.064 0.658 1.760) 3.594 7.348 ( -3.359 4.977 0.005) 6.004 7.406 ( -0.959 -2.697 -0.786) 2.968 7.543 ( 2.803 8.943 3.091) 9.868 7.584 ( -6.923 -8.051 -1.893) 10.786 7.713 ( 0.106 -5.067 2.936) 5.857 7.810 ( 0.149 1.435 4.509) 4.734 7.849 ( 0.585 1.613 8.143) 8.322 7.950 ( 3.817 -0.127 5.799) 6.943 8.000 ( 1.647 -4.727 -1.441) 5.209 8.121 ( 2.185 -1.036 1.091) 2.653 8.134 ( -2.268 -0.011 -2.253) 3.197 8.314 ( -1.004 2.928 1.610) 3.489 8.331 ( -3.016 1.980 -1.128) 3.780 8.385 ( -5.707 5.973 0.188) 8.263 8.462 ( 3.055 3.648 -0.758) 4.819 8.477 ( -3.089 -1.503 -0.968) 3.569 8.559 ( -4.212 -2.224 -7.236) 8.663 8.626 ( 0.247 3.321 -7.053) 7.800 8.649 ( -0.718 -3.240 2.063) 3.907 8.747 ( 2.205 -1.978 -0.357) 2.984 8.791 ( -1.686 -0.435 -0.277) 1.763 8.856 ( -0.229 1.748 -3.612) 4.020 8.891 ( -0.521 -2.334 -0.953) 2.574 8.939 ( 2.446 2.727 4.751) 5.999 9.015 ( 4.491 -0.160 0.300) 4.504 9.104 ( -1.420 -3.201 1.902) 3.985 9.142 ( -1.012 2.489 0.029) 2.687 9.182 ( 1.553 0.512 0.535) 1.720 9.247 ( -0.152 0.718 0.970) 1.217 9.317 ( -0.372 -0.100 2.648) 2.676 9.324 ( 0.361 -1.950 4.101) 4.556 9.332 ( -0.132 -0.232 -0.248) 0.364 9.398 ( -1.098 4.036 1.823) 4.563 9.429 ( 1.587 0.202 -4.292) 4.580 9.469 ( -1.086 -0.955 4.704) 4.922 9.548 ( 0.309 2.113 2.380) 3.198 9.592 ( 1.771 2.474 0.763) 3.137 9.628 ( -1.784 0.859 4.607) 5.014 9.716 ( 0.064 -2.233 -1.779) 2.856 9.724 ( -0.979 -0.829 1.655) 2.094 9.792 ( 1.897 -5.222 -2.640) 6.151 9.863 ( 1.327 -3.670 0.651) 3.957 9.897 ( 3.848 -3.964 1.188) 5.651 9.956 ( -3.529 0.842 2.464) 4.386 10.055 ( -0.184 -7.188 3.561) 8.023 10.143 ( -2.539 2.758 -1.689) 4.112 10.179 ( -1.637 -0.122 -4.539) 4.827 10.207 ( -0.871 0.550 -6.631) 6.711 10.249 ( 0.783 -2.734 -2.402) 3.722 10.328 ( 1.124 1.886 -3.124) 3.818 10.360 ( 3.637 -2.341 -2.839) 5.174 10.398 ( -1.507 -2.105 0.736) 2.692 10.444 ( 0.875 -3.178 1.140) 3.487 10.557 ( 6.629 4.365 2.285) 8.260 10.604 ( 2.758 4.819 2.490) 6.085 10.624 ( 5.975 -3.051 0.677) 6.743 10.752 ( 1.918 -5.236 4.883) 7.412 10.783 ( -6.448 0.043 -0.794) 6.497 10.855 ( -8.226 -4.468 -1.773) 9.527 10.930 ( -0.069 2.642 -3.248) 4.187 11.028 ( 1.224 -2.011 -4.080) 4.711 11.102 ( -0.814 2.719 -1.128) 3.054 11.157 ( -3.973 0.033 -2.130) 4.508 11.208 ( 1.746 4.452 -5.165) 7.039 11.268 ( 1.242 0.906 -8.328) 8.469 11.395 ( -4.914 3.757 3.299) 7.010 11.493 ( -5.447 -1.187 2.691) 6.190 11.533 ( -1.606 5.848 -2.189) 6.447 11.586 ( -2.226 4.897 -4.119) 6.775 11.592 ( -1.590 -2.669 2.876) 4.233 11.654 ( -3.814 -0.387 -0.216) 3.840 11.703 ( -0.394 2.763 -4.977) 5.707 11.798 ( -4.040 -2.997 -0.909) 5.112 11.858 ( -0.825 -1.446 -1.112) 2.002 11.919 ( -3.235 -3.985 -0.768) 5.190 11.941 ( -4.295 6.664 -1.125) 8.007 11.991 ( -2.441 2.062 0.751) 3.282 12.134 ( -5.352 -0.140 3.818) 6.576 12.178 ( -3.884 -1.155 -2.898) 4.981 12.235 ( 1.259 3.619 -0.288) 3.842 12.291 ( 4.381 4.704 3.202) 7.182 12.332 ( 2.277 -1.260 -0.060) 2.603 12.414 ( 0.402 0.968 3.307) 3.469 12.445 ( 0.340 -1.511 -0.046) 1.549 12.494 ( -0.917 -3.018 -0.309) 3.169 12.534 ( -1.311 -2.140 2.014) 3.218 12.571 ( -2.900 -3.813 0.682) 4.839 12.725 ( -0.228 0.869 2.436) 2.596 12.745 ( -0.393 -0.171 0.182) 0.465 12.763 ( 0.185 0.557 1.344) 1.467 12.825 ( -2.667 -2.563 -2.215) 4.311 12.853 ( -0.074 2.849 1.711) 3.324 12.915 ( -1.018 -0.520 2.369) 2.631 12.960 ( 3.717 1.196 -1.314) 4.119 12.966 ( 0.599 -0.771 1.538) 1.822 13.052 ( 0.560 3.177 -3.314) 4.624 13.060 ( 2.122 1.503 -0.994) 2.783 13.086 ( 1.438 -0.034 -1.209) 1.878 13.153 ( 5.487 -5.595 0.038) 7.837 13.208 ( 0.746 0.768 -4.256) 4.388 13.284 ( 0.507 -4.627 -0.204) 4.660 13.363 ( 3.162 0.438 -2.524) 4.069 13.376 ( 2.354 -0.562 -1.738) 2.980 13.579 ( -1.254 1.472 0.566) 2.015 13.615 ( -1.779 -1.588 -0.424) 2.422 13.714 ( -2.536 0.390 -0.163) 2.571 13.749 ( -2.849 -3.347 1.938) 4.803 13.818 ( 0.480 2.940 -2.678) 4.006 13.878 ( 0.283 -2.647 -2.414) 3.593 13.983 ( 2.810 2.721 1.510) 4.193 14.016 ( 2.129 1.196 2.463) 3.469 14.079 ( -2.913 1.215 0.964) 3.300 14.128 ( 1.071 -3.786 -3.882) 5.527 14.267 ( 4.961 2.487 -5.428) 7.763 14.320 ( 0.886 0.887 2.076) 2.425 14.345 ( 3.159 -0.972 -0.758) 3.391 14.429 ( 1.000 -3.447 0.739) 3.664 14.652 ( 1.315 0.089 5.120) 5.287 14.695 ( -3.159 -2.615 6.181) 7.418 14.786 ( 0.560 3.471 0.266) 3.526 14.865 ( 1.387 -3.366 1.057) 3.791 14.877 ( 0.864 4.594 5.568) 7.270 14.966 ( 2.317 -1.814 4.864) 5.684 15.123 ( -1.308 2.163 -2.100) 3.286 15.166 ( -0.536 -2.110 -3.504) 4.125 15.362 ( -4.497 4.435 -0.625) 6.347 15.420 ( -0.070 -1.197 -0.953) 1.532 15.481 ( 3.599 3.240 1.790) 5.163 15.506 ( 2.570 1.606 0.203) 3.037 15.563 ( 4.936 -2.588 -0.856) 5.639 15.617 ( 0.493 -6.970 -0.624) 7.015 15.697 ( 3.633 0.780 3.040) 4.801 15.785 ( 3.183 0.294 1.451) 3.510 15.807 ( -2.670 -2.479 4.192) 5.554 15.839 ( 1.207 -0.219 5.777) 5.906 15.923 ( 2.086 -2.843 5.556) 6.581 15.967 ( 6.182 -5.172 0.597) 8.083 16.275 ( -0.562 0.949 -3.854) 4.008 16.311 ( 1.314 -1.713 -2.981) 3.681 16.366 ( -1.062 1.159 -4.061) 4.354 16.387 ( 0.447 -0.146 -4.947) 4.969 16.504 ( -2.380 6.133 0.955) 6.647 16.603 ( -1.316 3.071 3.675) 4.967 16.622 ( -1.196 -4.254 5.427) 6.998 16.640 ( -1.814 -0.232 -0.461) 1.886 16.722 ( -0.425 3.591 -5.567) 6.638 16.740 ( 0.302 2.645 -5.177) 5.821 16.795 ( -2.099 1.206 0.978) 2.611 16.850 ( -1.509 -1.099 -1.718) 2.537 16.891 ( 0.207 1.462 1.677) 2.234 16.969 ( -0.886 -0.963 0.034) 1.309 17.004 ( -1.437 1.472 2.018) 2.882 17.046 ( 3.641 -2.825 -1.844) 4.964 17.146 ( -0.173 0.406 -0.783) 0.899 17.168 ( -0.536 -1.791 -0.558) 1.951 17.208 ( -0.988 2.397 -3.409) 4.282 17.223 ( -0.385 1.837 -1.984) 2.731 17.313 ( -0.382 1.252 -0.288) 1.341 17.374 ( -2.055 -2.349 -4.826) 5.747 17.412 ( -0.518 0.720 1.827) 2.031 17.420 ( -2.379 -0.561 2.277) 3.341 17.504 ( 0.798 2.370 -1.013) 2.698 17.547 ( 2.034 -0.787 -2.324) 3.187 17.581 ( 3.486 1.454 3.240) 4.976 17.630 ( 1.739 -3.503 -2.395) 4.586 17.775 ( 4.145 5.168 4.619) 8.077 17.800 ( 2.972 1.810 -3.607) 5.012 17.826 ( 1.858 3.526 0.804) 4.066 17.928 ( -0.051 -3.229 4.204) 5.301 17.958 ( 1.056 1.503 5.831) 6.113 18.043 ( 1.400 -4.027 6.254) 7.569 18.102 ( 1.058 6.472 1.770) 6.793 18.181 ( -0.330 -0.018 -0.378) 0.502 18.214 ( -3.111 -3.653 3.543) 5.964 18.284 ( -0.587 -4.317 5.333) 6.886 18.324 ( -1.734 0.072 1.365) 2.208 18.414 ( 3.074 -3.393 1.975) 4.986 18.580 ( 3.719 5.532 -3.557) 7.556 18.706 ( 5.760 -4.575 -3.460) 8.129 18.716 ( -4.159 5.593 5.602) 8.942 18.848 ( -6.448 -5.455 8.037) 11.659 19.037 ( 6.560 6.700 3.168) 9.898 19.152 ( 9.790 -1.704 3.609) 10.573 19.268 ( -5.146 2.442 -0.823) 5.755 19.342 ( -2.853 -2.363 -0.496) 3.738 19.545 ( 1.221 3.421 -2.906) 4.652 19.572 ( 3.421 0.751 -2.135) 4.101 19.872 ( 1.016 8.375 -1.502) 8.569 19.984 ( -0.692 6.216 0.373) 6.266 20.035 ( 0.298 -5.189 -0.435) 5.216 20.094 ( -2.546 -2.754 0.771) 3.829 21.043 ( 0.684 3.949 -1.997) 4.478 21.170 ( -1.522 -6.514 -2.047) 6.996 21.190 ( -1.788 -0.432 -5.306) 5.616 21.251 ( -1.767 -5.767 -4.412) 7.473 21.321 ( -3.750 -1.202 0.699) 3.999 21.348 ( -2.902 -3.609 0.190) 4.635 21.659 ( -8.241 1.351 -7.501) 11.225 21.716 ( -8.956 -3.711 -8.760) 13.066 ======================= Grid point 51 (23/36) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 21.803 25.419 14.057) 36.319 2.757 ( 23.538 25.827 9.923) 36.325 3.169 ( 14.114 -21.273 7.652) 26.651 3.305 ( 13.023 -19.263 6.477) 24.137 3.485 ( -15.166 8.912 1.511) 17.655 3.622 ( -15.259 6.982 1.524) 16.850 3.698 ( 3.868 7.503 1.408) 8.558 3.787 ( -0.397 3.714 -4.244) 5.654 3.829 ( -4.085 -0.682 -3.830) 5.641 3.973 ( -3.790 -1.536 -2.370) 4.727 4.039 ( 0.394 -3.355 -9.470) 10.054 4.120 ( -1.631 -5.077 -6.858) 8.687 4.168 ( 2.772 0.672 -1.904) 3.430 4.199 ( -5.497 -3.043 -3.489) 7.187 4.258 ( -5.308 -0.004 -3.425) 6.317 4.268 ( -8.812 -4.900 -4.279) 10.953 4.319 ( -4.410 -0.890 -2.876) 5.340 4.526 ( 9.828 -14.861 8.538) 19.757 4.817 ( -6.453 2.453 4.236) 8.099 4.845 ( -3.426 -0.342 3.605) 4.985 4.894 ( 1.814 5.535 -0.411) 5.839 4.962 ( -0.059 3.456 2.099) 4.043 4.987 ( 3.640 -1.764 0.142) 4.048 5.023 ( 1.653 -0.748 -1.520) 2.367 6.025 ( 2.244 3.680 2.354) 4.911 6.078 ( -0.816 1.719 2.887) 3.458 6.099 ( 0.293 -0.448 1.652) 1.736 6.116 ( -0.305 0.835 3.480) 3.592 6.364 ( -0.695 1.681 -1.648) 2.455 6.413 ( -2.612 -2.486 0.251) 3.615 6.481 ( -2.679 -2.675 -0.528) 3.822 6.487 ( -1.950 -3.455 -1.008) 4.093 6.706 ( 4.209 1.807 -4.238) 6.240 6.740 ( 4.962 0.948 -4.839) 6.995 6.831 ( 5.588 5.369 2.480) 8.136 6.926 ( 6.162 -2.465 6.560) 9.332 6.987 ( -0.718 2.453 -5.552) 6.112 7.009 ( 3.188 1.208 -6.792) 7.600 7.216 ( -0.934 0.030 -0.900) 1.298 7.278 ( -4.067 -4.692 1.690) 6.436 7.326 ( 7.612 2.277 4.418) 9.091 7.381 ( 3.361 -2.156 1.775) 4.370 7.400 ( 6.966 3.110 3.423) 8.362 7.485 ( -0.267 -3.033 1.525) 3.405 7.622 ( 3.759 4.637 1.709) 6.210 7.739 ( 3.537 -1.540 2.238) 4.460 7.793 ( -2.375 5.858 5.398) 8.312 7.860 ( 0.341 0.830 8.979) 9.024 8.014 ( 0.449 3.420 2.671) 4.363 8.029 ( 3.176 -1.003 2.172) 3.976 8.065 ( -4.159 -0.833 -0.482) 4.268 8.180 ( 0.938 -2.221 1.649) 2.921 8.243 ( -3.083 0.557 2.590) 4.065 8.272 ( -3.752 2.901 -1.603) 5.006 8.296 ( -0.985 2.013 1.196) 2.540 8.382 ( -6.977 -2.452 0.120) 7.397 8.511 ( -1.027 3.816 -2.094) 4.473 8.541 ( 2.342 1.005 -1.206) 2.820 8.611 ( -0.743 -1.573 0.679) 1.868 8.636 ( 0.608 1.690 -1.182) 2.150 8.773 ( -0.332 0.874 -1.711) 1.950 8.837 ( 0.586 -1.041 -3.336) 3.544 8.847 ( 1.691 -3.849 1.745) 4.552 8.877 ( 3.178 1.504 -4.688) 5.860 8.969 ( 0.911 1.986 3.776) 4.363 9.027 ( -3.898 3.699 2.439) 5.901 9.079 ( -0.043 -0.230 0.482) 0.536 9.118 ( -1.116 -5.784 -3.105) 6.659 9.180 ( -0.349 -0.297 -1.295) 1.373 9.235 ( -4.596 -0.492 1.059) 4.742 9.259 ( -1.437 -0.410 -1.156) 1.890 9.328 ( -0.933 -0.741 4.567) 4.720 9.374 ( 2.328 1.369 2.062) 3.398 9.411 ( 2.741 -1.162 3.266) 4.419 9.432 ( -2.271 -1.489 4.425) 5.191 9.481 ( 0.527 -6.757 0.077) 6.778 9.537 ( 0.885 7.513 -1.727) 7.760 9.588 ( -0.333 2.994 2.898) 4.180 9.697 ( 5.676 -0.322 3.629) 6.744 9.716 ( 1.703 2.712 -2.159) 3.862 9.779 ( 5.376 -1.665 -2.451) 6.138 9.830 ( 0.473 -5.453 -4.714) 7.223 9.890 ( -1.414 0.267 -0.780) 1.637 9.922 ( 2.322 0.694 1.428) 2.813 9.940 ( 2.481 -2.372 -2.838) 4.454 10.014 ( -2.066 -4.469 -0.775) 4.984 10.092 ( -5.531 2.641 -4.863) 7.824 10.109 ( -1.298 1.610 -2.059) 2.919 10.189 ( 0.178 -3.069 -0.888) 3.200 10.226 ( -5.767 -5.192 -5.519) 9.523 10.335 ( -3.993 0.400 -7.606) 8.599 10.349 ( -0.495 -0.815 -0.811) 1.252 10.422 ( 0.083 1.231 -1.426) 1.886 10.446 ( -1.164 -0.789 0.412) 1.465 10.563 ( -8.215 -2.294 -2.692) 8.944 10.590 ( -2.946 -6.653 0.235) 7.280 10.722 ( 8.258 1.367 -0.720) 8.401 10.771 ( 10.153 0.917 1.572) 10.315 10.814 ( 3.166 -4.458 -2.788) 6.138 10.851 ( 6.322 -3.950 0.881) 7.507 11.007 ( 4.453 1.793 1.375) 4.993 11.047 ( 1.035 -0.144 1.240) 1.622 11.088 ( -0.895 1.916 -2.058) 2.951 11.117 ( -0.216 0.485 -0.027) 0.531 11.181 ( -4.395 2.229 0.095) 4.929 11.243 ( -3.662 -1.601 0.291) 4.007 11.305 ( -4.876 6.790 1.830) 8.557 11.367 ( -6.390 -0.131 -0.042) 6.391 11.454 ( -4.181 1.292 6.199) 7.589 11.531 ( -2.278 -4.480 3.834) 6.321 11.588 ( -3.235 2.367 0.942) 4.117 11.632 ( 3.468 3.378 -6.744) 8.302 11.672 ( -7.871 -0.877 0.103) 7.920 11.706 ( 0.805 4.332 -8.794) 9.836 11.795 ( -4.093 -1.053 -4.622) 6.263 11.846 ( -4.222 -3.827 -5.015) 7.591 11.915 ( 0.388 6.199 0.340) 6.220 11.958 ( -1.447 3.082 0.940) 3.533 12.066 ( -2.280 -1.311 1.652) 3.106 12.098 ( -4.139 -1.464 -3.322) 5.506 12.270 ( 2.622 4.022 1.256) 4.963 12.337 ( 0.226 1.062 -0.479) 1.187 12.369 ( 2.288 3.894 -0.013) 4.517 12.417 ( -1.849 0.217 -0.662) 1.975 12.442 ( -3.056 1.777 0.604) 3.587 12.462 ( -0.856 -2.120 2.740) 3.569 12.489 ( 0.580 -3.646 0.076) 3.692 12.541 ( -1.625 -5.965 2.461) 6.654 12.721 ( -0.751 0.341 1.554) 1.759 12.736 ( 1.039 -0.146 2.198) 2.436 12.778 ( 0.720 0.065 2.211) 2.327 12.795 ( -0.885 -1.957 0.158) 2.154 12.860 ( 1.007 0.186 2.549) 2.747 12.884 ( -1.049 -2.633 3.039) 4.155 12.945 ( -2.384 1.996 2.680) 4.105 12.974 ( -2.841 0.975 1.277) 3.264 13.083 ( 1.947 3.170 1.541) 4.026 13.096 ( 1.759 3.289 -1.498) 4.019 13.123 ( 2.909 -0.916 -2.808) 4.146 13.211 ( 0.134 -4.547 2.210) 5.058 13.293 ( 6.392 1.096 -6.373) 9.093 13.320 ( 4.375 -1.735 -2.997) 5.579 13.411 ( 1.993 1.348 -3.024) 3.864 13.441 ( 3.591 -0.953 -2.137) 4.286 13.556 ( -1.089 0.431 0.222) 1.192 13.569 ( -3.299 -0.592 -0.369) 3.372 13.652 ( -3.708 -1.980 -0.325) 4.216 13.684 ( -3.661 -4.387 1.712) 5.964 13.842 ( 2.220 2.998 -4.783) 6.066 13.883 ( 1.226 -0.919 -3.301) 3.639 13.989 ( -3.442 2.244 -3.627) 5.481 14.008 ( -3.799 0.148 -1.846) 4.226 14.100 ( 6.697 3.686 2.259) 7.971 14.179 ( 4.360 -0.006 1.359) 4.567 14.323 ( -1.007 1.150 5.952) 6.145 14.375 ( -1.769 -3.217 3.694) 5.208 14.392 ( 6.634 2.778 -1.304) 7.309 14.436 ( 1.975 3.930 -2.591) 5.104 14.624 ( -3.510 -1.826 2.519) 4.690 14.654 ( -2.006 -2.611 3.220) 4.605 14.820 ( 2.707 3.558 -0.667) 4.520 14.875 ( 0.757 0.331 2.276) 2.422 14.925 ( 2.623 -3.006 1.125) 4.146 14.965 ( -1.645 -2.568 0.416) 3.078 15.125 ( 1.409 3.045 -2.819) 4.382 15.185 ( 1.613 -1.231 -2.420) 3.158 15.282 ( -3.079 -0.163 -0.878) 3.206 15.380 ( -4.038 -5.769 -2.673) 7.532 15.522 ( 3.010 2.884 4.885) 6.422 15.614 ( 4.156 -3.340 2.116) 5.737 15.665 ( 5.274 -1.852 1.997) 5.936 15.680 ( 6.133 -0.614 -1.971) 6.471 15.696 ( -4.476 -0.396 4.017) 6.027 15.757 ( 1.995 -4.858 4.551) 6.949 15.857 ( 0.265 -0.254 3.466) 3.485 15.875 ( 2.826 -0.763 1.227) 3.174 15.987 ( 5.450 2.460 2.337) 6.420 16.093 ( 7.064 -5.124 -1.560) 8.865 16.216 ( -5.259 2.589 -2.784) 6.489 16.303 ( -2.532 -4.786 -1.885) 5.733 16.380 ( 1.774 3.275 -3.577) 5.164 16.417 ( 0.329 1.953 -2.841) 3.463 16.472 ( 0.595 3.241 -0.893) 3.414 16.560 ( -4.073 -1.236 1.995) 4.701 16.577 ( -0.358 4.180 2.214) 4.743 16.619 ( -0.924 -0.831 1.928) 2.294 16.693 ( -2.079 -0.073 -1.454) 2.538 16.729 ( -2.162 -0.975 -3.227) 4.004 16.775 ( 0.445 2.961 -0.009) 2.995 16.834 ( 0.480 -1.688 1.287) 2.176 16.895 ( -2.169 0.892 1.516) 2.793 16.925 ( -3.589 -0.141 0.921) 3.707 17.007 ( 3.492 4.565 0.208) 5.751 17.085 ( 0.772 0.343 -4.160) 4.245 17.148 ( -0.475 2.620 -5.473) 6.086 17.169 ( -0.143 1.146 -1.542) 1.926 17.190 ( -1.896 1.128 -2.641) 3.441 17.215 ( 1.148 -1.910 -2.181) 3.118 17.266 ( -3.170 1.102 -1.680) 3.753 17.316 ( -2.870 -3.266 -4.518) 6.270 17.441 ( 3.447 -0.508 3.638) 5.038 17.447 ( 3.884 -0.234 3.490) 5.227 17.526 ( 0.972 2.314 2.299) 3.403 17.573 ( 0.390 -1.924 2.003) 2.805 17.640 ( 2.347 1.014 -1.993) 3.242 17.678 ( 2.798 -3.217 -1.375) 4.480 17.772 ( -3.141 3.088 -1.936) 4.812 17.810 ( -2.929 0.863 -2.248) 3.791 17.912 ( 5.095 2.350 4.370) 7.112 17.935 ( 0.948 1.414 5.745) 5.992 17.982 ( 2.467 -4.252 2.803) 5.659 18.025 ( -1.559 -3.055 7.552) 8.295 18.110 ( -0.370 6.739 1.918) 7.016 18.169 ( -0.955 3.790 5.089) 6.416 18.208 ( 2.331 0.939 2.923) 3.855 18.305 ( -0.674 -5.375 1.796) 5.707 18.350 ( 6.156 1.205 6.084) 8.738 18.477 ( 3.898 -5.245 2.485) 6.991 18.607 ( -4.279 4.410 4.173) 7.428 18.703 ( -4.887 -2.986 4.233) 7.122 18.733 ( 5.455 3.024 -0.716) 6.278 18.821 ( 6.571 -2.261 -2.688) 7.451 19.077 ( -4.912 5.212 -2.917) 7.733 19.145 ( -7.840 0.994 -0.875) 7.952 19.338 ( 9.838 -0.942 2.359) 10.160 19.343 ( 5.180 0.267 1.784) 5.485 19.551 ( -1.540 3.848 -0.693) 4.203 19.599 ( -1.936 0.084 -1.763) 2.620 19.900 ( 2.950 6.931 0.727) 7.567 20.000 ( 1.987 1.882 -1.292) 3.027 20.037 ( -0.381 -3.286 -0.314) 3.322 20.045 ( -2.257 -1.537 -0.302) 2.747 21.075 ( 2.725 2.247 -2.563) 4.364 21.146 ( -0.196 -1.617 -2.909) 3.334 21.168 ( -0.670 -2.140 -2.111) 3.080 21.214 ( -2.116 -4.877 -3.631) 6.438 21.245 ( -3.117 -1.273 -1.222) 3.581 21.296 ( -1.630 -5.706 -2.568) 6.466 21.469 ( -11.289 0.513 -5.491) 12.564 21.519 ( -11.306 -4.176 -6.760) 13.819 ======================= Grid point 52 (24/36) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( -22.865 19.826 7.966) 31.294 3.055 ( 22.865 19.826 7.966) 31.294 3.193 ( -21.727 17.749 7.405) 29.016 3.193 ( 21.727 17.749 7.405) 29.016 3.496 ( -10.453 -16.899 4.614) 20.399 3.496 ( 10.453 -16.899 4.614) 20.399 3.610 ( -10.604 -17.723 0.075) 20.653 3.610 ( 10.604 -17.723 0.075) 20.653 3.935 ( -5.517 4.328 -8.793) 11.247 3.935 ( 5.517 4.328 -8.793) 11.247 4.088 ( -4.995 -8.071 -5.562) 11.001 4.088 ( 4.995 -8.071 -5.562) 11.001 4.150 ( -3.481 1.166 -9.792) 10.457 4.150 ( 3.481 1.166 -9.792) 10.457 4.209 ( -2.186 -3.659 -7.300) 8.454 4.209 ( 2.186 -3.659 -7.300) 8.454 4.511 ( -21.045 11.296 10.428) 26.062 4.511 ( 21.045 11.296 10.428) 26.062 4.719 ( -9.344 -6.057 7.398) 13.369 4.719 ( 9.344 -6.057 7.398) 13.369 4.950 ( -1.888 5.049 0.356) 5.402 4.950 ( 1.888 5.049 0.356) 5.402 5.036 ( -0.848 -2.131 -0.649) 2.384 5.036 ( 0.848 -2.131 -0.649) 2.384 6.058 ( -1.237 2.790 2.559) 3.983 6.058 ( 1.237 2.790 2.559) 3.983 6.109 ( -0.711 -0.971 2.344) 2.635 6.109 ( 0.711 -0.971 2.344) 2.635 6.371 ( -1.341 1.160 -2.331) 2.929 6.371 ( 1.341 1.160 -2.331) 2.929 6.450 ( -0.787 -5.255 0.550) 5.342 6.450 ( 0.787 -5.255 0.550) 5.342 6.797 ( -2.592 5.676 -3.159) 6.994 6.797 ( 2.592 5.676 -3.159) 6.994 6.870 ( -3.829 1.024 -4.524) 6.014 6.870 ( 3.829 1.024 -4.524) 6.014 7.113 ( -1.371 0.262 -1.269) 1.886 7.113 ( 1.371 0.262 -1.269) 1.886 7.142 ( -4.430 -4.572 2.489) 6.836 7.142 ( 4.430 -4.572 2.489) 6.836 7.406 ( -0.826 4.723 3.308) 5.826 7.406 ( 0.826 4.723 3.308) 5.826 7.514 ( -4.433 -4.942 5.740) 8.776 7.514 ( 4.433 -4.942 5.740) 8.776 7.711 ( -6.705 7.349 5.619) 11.425 7.711 ( 6.705 7.349 5.619) 11.425 7.829 ( -4.588 -2.927 3.568) 6.507 7.829 ( 4.588 -2.927 3.568) 6.507 8.006 ( -1.763 6.054 -2.192) 6.675 8.006 ( 1.763 6.054 -2.192) 6.675 8.120 ( -5.861 -1.511 0.046) 6.053 8.120 ( 5.861 -1.511 0.046) 6.053 8.221 ( -2.508 2.665 4.297) 5.644 8.221 ( 2.508 2.665 4.297) 5.644 8.308 ( -2.188 -2.125 2.798) 4.139 8.308 ( 2.188 -2.125 2.798) 4.139 8.531 ( -2.732 2.783 -0.200) 3.905 8.531 ( 2.732 2.783 -0.200) 3.905 8.630 ( -1.753 -0.935 -0.895) 2.179 8.630 ( 1.753 -0.935 -0.895) 2.179 8.780 ( -1.925 3.826 0.266) 4.291 8.780 ( 1.925 3.826 0.266) 4.291 8.919 ( -2.468 -2.450 0.445) 3.506 8.919 ( 2.468 -2.450 0.445) 3.506 8.993 ( -0.878 -0.771 1.195) 1.671 8.993 ( 0.878 -0.771 1.195) 1.671 9.070 ( -1.367 -2.113 -7.984) 8.372 9.070 ( 1.367 -2.113 -7.984) 8.372 9.189 ( -1.355 3.048 0.252) 3.346 9.189 ( 1.355 3.048 0.252) 3.346 9.266 ( -4.011 -3.926 5.376) 7.772 9.266 ( 4.011 -3.926 5.376) 7.772 9.403 ( -1.156 -0.218 1.805) 2.155 9.403 ( 1.156 -0.218 1.805) 2.155 9.453 ( -2.154 -4.833 1.732) 5.568 9.453 ( 2.154 -4.833 1.732) 5.568 9.580 ( -2.390 8.346 -0.665) 8.707 9.580 ( 2.390 8.346 -0.665) 8.707 9.749 ( -4.157 -5.140 2.339) 7.012 9.749 ( 4.157 -5.140 2.339) 7.012 9.849 ( -5.671 1.851 -1.745) 6.215 9.849 ( 5.671 1.851 -1.745) 6.215 9.888 ( -3.750 0.905 -5.738) 6.914 9.888 ( 3.750 0.905 -5.738) 6.914 9.987 ( -0.961 -0.940 -1.168) 1.781 9.987 ( 0.961 -0.940 -1.168) 1.781 10.097 ( -4.751 -7.226 -4.278) 9.649 10.097 ( 4.751 -7.226 -4.278) 9.649 10.173 ( -9.541 2.529 -4.815) 10.982 10.173 ( 9.541 2.529 -4.815) 10.982 10.267 ( -7.241 -4.110 -2.391) 8.663 10.267 ( 7.241 -4.110 -2.391) 8.663 10.416 ( -1.572 2.905 -1.645) 3.690 10.416 ( 1.572 2.905 -1.645) 3.690 10.543 ( -2.224 -6.040 -2.571) 6.931 10.543 ( 2.224 -6.040 -2.571) 6.931 10.877 ( -1.487 0.449 0.365) 1.595 10.877 ( 1.487 0.449 0.365) 1.595 10.892 ( -4.475 -1.179 1.446) 4.848 10.892 ( 4.475 -1.179 1.446) 4.848 11.027 ( -0.730 3.156 2.003) 3.809 11.027 ( 0.730 3.156 2.003) 3.809 11.091 ( -3.608 -1.615 0.528) 3.988 11.091 ( 3.608 -1.615 0.528) 3.988 11.185 ( -5.725 2.608 0.569) 6.316 11.185 ( 5.725 2.608 0.569) 6.316 11.257 ( -5.636 -4.443 -0.588) 7.200 11.257 ( 5.636 -4.443 -0.588) 7.200 11.467 ( -5.226 5.014 5.898) 9.340 11.467 ( 5.226 5.014 5.898) 9.340 11.572 ( -3.224 -4.006 3.071) 5.989 11.572 ( 3.224 -4.006 3.071) 5.989 11.694 ( -2.606 4.153 -9.284) 10.499 11.694 ( 2.606 4.153 -9.284) 10.499 11.780 ( -2.553 -0.929 -7.127) 7.627 11.780 ( 2.553 -0.929 -7.127) 7.627 11.930 ( -1.464 6.286 0.763) 6.499 11.930 ( 1.464 6.286 0.763) 6.499 12.051 ( -0.939 -3.186 -1.397) 3.604 12.051 ( 0.939 -3.186 -1.397) 3.604 12.319 ( -2.183 3.359 0.684) 4.064 12.319 ( 2.183 3.359 0.684) 4.064 12.386 ( -1.144 3.074 0.128) 3.283 12.386 ( 1.144 3.074 0.128) 3.283 12.431 ( -2.697 -2.832 1.851) 4.327 12.431 ( 2.697 -2.832 1.851) 4.327 12.511 ( -1.668 -4.475 -0.019) 4.776 12.511 ( 1.668 -4.475 -0.019) 4.776 12.738 ( -1.810 2.023 2.815) 3.911 12.738 ( 1.810 2.023 2.815) 3.911 12.782 ( -1.156 -2.241 1.506) 2.937 12.782 ( 1.156 -2.241 1.506) 2.937 12.890 ( -1.648 0.619 3.156) 3.614 12.890 ( 1.648 0.619 3.156) 3.614 12.911 ( -2.077 -0.631 2.726) 3.485 12.911 ( 2.077 -0.631 2.726) 3.485 13.110 ( -0.267 2.723 0.928) 2.890 13.110 ( 0.267 2.723 0.928) 2.890 13.178 ( -2.804 -2.864 -1.556) 4.300 13.178 ( 2.804 -2.864 -1.556) 4.300 13.374 ( -1.186 3.611 -3.148) 4.935 13.374 ( 1.186 3.611 -3.148) 4.935 13.456 ( -3.632 -3.619 -5.174) 7.284 13.456 ( 3.632 -3.619 -5.174) 7.284 13.533 ( -1.755 2.614 1.204) 3.371 13.533 ( 1.755 2.614 1.204) 3.371 13.625 ( -1.846 -4.920 1.222) 5.395 13.625 ( 1.846 -4.920 1.222) 5.395 13.903 ( -3.578 2.552 -5.818) 7.291 13.903 ( 3.578 2.552 -5.818) 7.291 13.938 ( -2.899 -0.553 -3.452) 4.542 13.938 ( 2.899 -0.553 -3.452) 4.542 14.217 ( -3.692 3.946 3.938) 6.687 14.217 ( 3.692 3.946 3.938) 6.687 14.309 ( -2.664 -0.248 4.199) 4.979 14.309 ( 2.664 -0.248 4.199) 4.979 14.469 ( -0.982 4.509 0.659) 4.662 14.469 ( 0.982 4.509 0.659) 4.662 14.603 ( -1.980 -2.876 0.633) 3.549 14.603 ( 1.980 -2.876 0.633) 3.549 14.870 ( -2.121 1.673 0.061) 2.702 14.870 ( 2.121 1.673 0.061) 2.702 14.947 ( -0.626 -3.859 -1.154) 4.076 14.947 ( 0.626 -3.859 -1.154) 4.076 15.167 ( -2.855 3.948 -2.275) 5.377 15.167 ( 2.855 3.948 -2.275) 5.377 15.298 ( -4.057 -7.445 -1.980) 8.707 15.298 ( 4.057 -7.445 -1.980) 8.707 15.596 ( -4.825 1.384 5.702) 7.597 15.596 ( 4.825 1.384 5.702) 7.597 15.672 ( -2.181 -4.998 3.094) 6.270 15.672 ( 2.181 -4.998 3.094) 6.270 15.799 ( -4.738 1.589 1.405) 5.191 15.799 ( 4.738 1.589 1.405) 5.191 15.866 ( -3.622 -4.198 2.124) 5.937 15.866 ( 3.622 -4.198 2.124) 5.937 16.102 ( -6.482 4.502 -1.715) 8.076 16.102 ( 6.482 4.502 -1.715) 8.076 16.220 ( -6.280 -5.476 -2.312) 8.647 16.220 ( 6.280 -5.476 -2.312) 8.647 16.406 ( -1.324 5.760 -1.651) 6.137 16.406 ( 1.324 5.760 -1.651) 6.137 16.495 ( -2.590 -0.279 -0.955) 2.775 16.495 ( 2.590 -0.279 -0.955) 2.775 16.608 ( -1.374 1.372 0.364) 1.976 16.608 ( 1.374 1.372 0.364) 1.976 16.678 ( -1.749 -2.724 0.053) 3.237 16.678 ( 1.749 -2.724 0.053) 3.237 16.814 ( -3.478 3.121 1.740) 4.986 16.814 ( 3.478 3.121 1.740) 4.986 16.873 ( -2.090 -1.808 2.010) 3.417 16.873 ( 2.090 -1.808 2.010) 3.417 17.092 ( -3.973 4.022 -4.881) 7.469 17.092 ( 3.973 4.022 -4.881) 7.469 17.119 ( -2.627 2.187 -2.804) 4.421 17.119 ( 2.627 2.187 -2.804) 4.421 17.207 ( -2.076 1.784 -2.547) 3.739 17.207 ( 2.076 1.784 -2.547) 3.739 17.267 ( -2.670 -3.743 -3.425) 5.733 17.267 ( 2.670 -3.743 -3.425) 5.733 17.509 ( -2.826 0.624 2.735) 3.982 17.509 ( 2.826 0.624 2.735) 3.982 17.531 ( -4.314 -0.701 4.151) 6.027 17.531 ( 4.314 -0.701 4.151) 6.027 17.701 ( -3.114 1.045 -1.488) 3.606 17.701 ( 3.114 1.045 -1.488) 3.606 17.733 ( -2.138 -1.914 -2.869) 4.058 17.733 ( 2.138 -1.914 -2.869) 4.058 17.955 ( -1.257 1.205 6.619) 6.844 17.955 ( 1.257 1.205 6.619) 6.844 18.013 ( -0.572 -3.156 5.123) 6.044 18.013 ( 0.572 -3.156 5.123) 6.044 18.133 ( -2.734 7.587 3.085) 8.634 18.133 ( 2.734 7.587 3.085) 8.634 18.265 ( -3.530 -2.557 3.335) 5.489 18.265 ( 3.530 -2.557 3.335) 5.489 18.488 ( -7.577 2.004 5.141) 9.373 18.488 ( 7.577 2.004 5.141) 9.373 18.570 ( -6.241 -4.284 4.357) 8.734 18.570 ( 6.241 -4.284 4.357) 8.734 18.912 ( -10.228 4.254 -3.916) 11.749 18.912 ( 10.228 4.254 -3.916) 11.749 18.982 ( -9.211 -0.790 -2.717) 9.636 18.982 ( 9.211 -0.790 -2.717) 9.636 19.471 ( -6.750 2.586 1.588) 7.401 19.471 ( 6.750 2.586 1.588) 7.401 19.503 ( -7.629 0.056 0.677) 7.660 19.503 ( 7.629 0.056 0.677) 7.660 19.975 ( -4.191 3.250 -0.101) 5.304 19.975 ( 4.191 3.250 -0.101) 5.304 20.035 ( -0.860 -2.075 -1.492) 2.697 20.035 ( 0.860 -2.075 -1.492) 2.697 21.126 ( -2.877 0.471 -1.777) 3.414 21.126 ( 2.877 0.471 -1.777) 3.414 21.176 ( -1.687 -3.097 -2.450) 4.294 21.176 ( 1.687 -3.097 -2.450) 4.294 21.282 ( -7.251 -0.105 -3.540) 8.070 21.282 ( 7.251 -0.105 -3.540) 8.070 21.342 ( -6.633 -6.037 -5.421) 10.480 21.342 ( 6.633 -6.037 -5.421) 10.480 ======================= Grid point 70 (25/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 0.000 0.000 40.050) 40.050 1.892 ( 0.000 0.000 39.862) 39.862 2.683 ( 0.000 0.000 -36.055) 36.055 2.694 ( 0.000 0.000 -32.561) 32.561 2.957 ( 0.000 0.000 56.714) 56.714 3.927 ( 0.000 0.000 3.816) 3.816 3.984 ( 0.000 0.000 -35.448) 35.448 4.010 ( 0.000 0.000 -3.098) 3.098 4.033 ( 0.000 0.000 4.398) 4.398 4.121 ( 0.000 0.000 -3.810) 3.810 4.197 ( 0.000 0.000 2.079) 2.079 4.209 ( 0.000 0.000 -0.837) 0.837 4.219 ( 0.000 0.000 6.665) 6.665 4.383 ( 0.000 0.000 -6.482) 6.482 4.466 ( 0.000 0.000 3.693) 3.693 4.496 ( 0.000 0.000 1.140) 1.140 4.679 ( 0.000 0.000 4.683) 4.683 4.684 ( 0.000 0.000 1.861) 1.861 4.776 ( 0.000 0.000 -0.737) 0.737 4.817 ( 0.000 0.000 4.946) 4.946 4.822 ( 0.000 0.000 2.026) 2.026 4.871 ( 0.000 0.000 -6.396) 6.396 4.971 ( 0.000 0.000 1.674) 1.674 5.056 ( 0.000 0.000 -3.932) 3.932 5.898 ( 0.000 0.000 3.447) 3.447 5.985 ( 0.000 0.000 -4.283) 4.283 6.075 ( 0.000 0.000 10.221) 10.221 6.083 ( 0.000 0.000 6.576) 6.576 6.289 ( 0.000 0.000 -4.112) 4.112 6.368 ( 0.000 0.000 -2.087) 2.087 6.404 ( 0.000 0.000 11.521) 11.521 6.484 ( 0.000 0.000 -8.320) 8.320 6.577 ( 0.000 0.000 -10.908) 10.908 6.613 ( 0.000 0.000 -5.502) 5.502 6.759 ( 0.000 0.000 -0.065) 0.065 6.781 ( 0.000 0.000 -0.226) 0.226 6.964 ( 0.000 0.000 -3.964) 3.964 7.052 ( 0.000 0.000 -11.643) 11.643 7.083 ( 0.000 0.000 16.870) 16.870 7.212 ( 0.000 0.000 0.196) 0.196 7.365 ( 0.000 0.000 -1.465) 1.465 7.407 ( 0.000 0.000 13.157) 13.157 7.548 ( 0.000 0.000 -15.115) 15.115 7.556 ( 0.000 0.000 9.653) 9.653 7.635 ( 0.000 0.000 10.792) 10.792 7.655 ( 0.000 0.000 -8.453) 8.453 7.802 ( 0.000 0.000 -13.208) 13.208 7.804 ( 0.000 0.000 3.577) 3.577 7.830 ( 0.000 0.000 3.583) 3.583 7.896 ( 0.000 0.000 10.979) 10.979 7.964 ( 0.000 0.000 -14.598) 14.598 8.095 ( 0.000 0.000 2.355) 2.355 8.121 ( 0.000 0.000 1.737) 1.737 8.218 ( 0.000 0.000 6.153) 6.153 8.241 ( 0.000 0.000 -14.764) 14.764 8.409 ( 0.000 0.000 -10.026) 10.026 8.529 ( 0.000 0.000 1.324) 1.324 8.608 ( 0.000 0.000 -5.170) 5.170 8.680 ( 0.000 0.000 4.654) 4.654 8.686 ( 0.000 0.000 4.869) 4.869 8.689 ( 0.000 0.000 4.901) 4.901 8.808 ( 0.000 0.000 -5.354) 5.354 8.876 ( 0.000 0.000 3.277) 3.277 8.925 ( 0.000 0.000 1.012) 1.012 8.985 ( 0.000 0.000 -3.025) 3.025 9.025 ( 0.000 0.000 -7.878) 7.878 9.059 ( 0.000 0.000 4.834) 4.834 9.137 ( 0.000 0.000 3.787) 3.787 9.144 ( 0.000 0.000 -3.227) 3.227 9.201 ( 0.000 0.000 -1.357) 1.357 9.238 ( 0.000 0.000 5.768) 5.768 9.254 ( 0.000 0.000 1.364) 1.364 9.370 ( 0.000 0.000 -1.443) 1.443 9.481 ( 0.000 0.000 -9.574) 9.574 9.483 ( 0.000 0.000 1.572) 1.572 9.512 ( 0.000 0.000 -0.585) 0.585 9.686 ( 0.000 0.000 8.854) 8.854 9.708 ( 0.000 0.000 4.291) 4.291 9.721 ( 0.000 0.000 2.844) 2.844 9.794 ( 0.000 0.000 -1.641) 1.641 9.807 ( 0.000 0.000 4.967) 4.967 9.942 ( 0.000 0.000 2.710) 2.710 9.945 ( 0.000 0.000 4.695) 4.695 9.963 ( 0.000 0.000 12.192) 12.192 10.064 ( 0.000 0.000 -13.187) 13.187 10.127 ( 0.000 0.000 5.427) 5.427 10.152 ( 0.000 0.000 8.987) 8.987 10.195 ( 0.000 0.000 -0.749) 0.749 10.199 ( 0.000 0.000 -10.420) 10.420 10.217 ( 0.000 0.000 1.142) 1.142 10.322 ( 0.000 0.000 -4.370) 4.370 10.356 ( 0.000 0.000 -7.571) 7.571 10.555 ( 0.000 0.000 1.152) 1.152 10.612 ( 0.000 0.000 -3.880) 3.880 10.627 ( 0.000 0.000 6.299) 6.299 10.703 ( 0.000 0.000 3.280) 3.280 10.765 ( 0.000 0.000 2.318) 2.318 10.802 ( 0.000 0.000 3.081) 3.081 10.818 ( 0.000 0.000 -1.993) 1.993 10.889 ( 0.000 0.000 1.500) 1.500 10.896 ( 0.000 0.000 3.444) 3.444 10.953 ( 0.000 0.000 -4.973) 4.973 10.997 ( 0.000 0.000 4.394) 4.394 11.067 ( 0.000 0.000 -1.104) 1.104 11.099 ( 0.000 0.000 -2.295) 2.295 11.159 ( 0.000 0.000 4.483) 4.483 11.200 ( 0.000 0.000 -9.371) 9.371 11.252 ( 0.000 0.000 -5.075) 5.075 11.421 ( 0.000 0.000 2.402) 2.402 11.512 ( 0.000 0.000 -2.370) 2.370 11.513 ( 0.000 0.000 -6.861) 6.861 11.543 ( 0.000 0.000 -5.675) 5.675 11.605 ( 0.000 0.000 7.837) 7.837 11.695 ( 0.000 0.000 0.204) 0.204 11.846 ( 0.000 0.000 3.175) 3.175 11.873 ( 0.000 0.000 0.041) 0.041 11.911 ( 0.000 0.000 -2.374) 2.374 12.017 ( 0.000 0.000 -12.510) 12.510 12.177 ( 0.000 0.000 2.733) 2.733 12.241 ( 0.000 0.000 -0.778) 0.778 12.329 ( 0.000 0.000 2.596) 2.596 12.332 ( 0.000 0.000 2.766) 2.766 12.395 ( 0.000 0.000 -2.643) 2.643 12.405 ( 0.000 0.000 -3.563) 3.563 12.437 ( 0.000 0.000 3.639) 3.639 12.509 ( 0.000 0.000 -2.075) 2.075 12.553 ( 0.000 0.000 1.305) 1.305 12.565 ( 0.000 0.000 -0.089) 0.089 12.785 ( 0.000 0.000 1.901) 1.901 12.788 ( 0.000 0.000 2.029) 2.029 12.802 ( 0.000 0.000 0.519) 0.519 12.822 ( 0.000 0.000 -1.234) 1.234 12.858 ( 0.000 0.000 2.871) 2.871 12.893 ( 0.000 0.000 0.484) 0.484 12.932 ( 0.000 0.000 2.404) 2.404 12.957 ( 0.000 0.000 0.427) 0.427 13.027 ( 0.000 0.000 2.573) 2.573 13.105 ( 0.000 0.000 -2.446) 2.446 13.146 ( 0.000 0.000 5.824) 5.824 13.218 ( 0.000 0.000 -0.488) 0.488 13.295 ( 0.000 0.000 -6.882) 6.882 13.302 ( 0.000 0.000 -6.033) 6.033 13.306 ( 0.000 0.000 5.691) 5.691 13.415 ( 0.000 0.000 -3.352) 3.352 13.471 ( 0.000 0.000 2.263) 2.263 13.554 ( 0.000 0.000 -6.849) 6.849 13.561 ( 0.000 0.000 6.541) 6.541 13.706 ( 0.000 0.000 -6.019) 6.019 13.957 ( 0.000 0.000 2.056) 2.056 13.994 ( 0.000 0.000 3.503) 3.503 14.015 ( 0.000 0.000 -2.716) 2.716 14.080 ( 0.000 0.000 -3.200) 3.200 14.136 ( 0.000 0.000 0.994) 0.994 14.162 ( 0.000 0.000 -1.136) 1.136 14.223 ( 0.000 0.000 2.425) 2.425 14.303 ( 0.000 0.000 -2.075) 2.075 14.400 ( 0.000 0.000 -0.886) 0.886 14.407 ( 0.000 0.000 1.976) 1.976 14.439 ( 0.000 0.000 -3.688) 3.688 14.477 ( 0.000 0.000 -4.262) 4.262 14.652 ( 0.000 0.000 5.084) 5.084 14.694 ( 0.000 0.000 6.701) 6.701 14.781 ( 0.000 0.000 -6.346) 6.346 14.861 ( 0.000 0.000 -7.458) 7.458 15.247 ( 0.000 0.000 4.608) 4.608 15.309 ( 0.000 0.000 -0.071) 0.071 15.368 ( 0.000 0.000 3.052) 3.052 15.382 ( 0.000 0.000 -0.346) 0.346 15.510 ( 0.000 0.000 1.841) 1.841 15.532 ( 0.000 0.000 5.170) 5.170 15.542 ( 0.000 0.000 -1.258) 1.258 15.693 ( 0.000 0.000 -7.969) 7.969 15.912 ( 0.000 0.000 2.699) 2.699 15.948 ( 0.000 0.000 1.567) 1.567 15.959 ( 0.000 0.000 5.812) 5.812 16.038 ( 0.000 0.000 6.899) 6.899 16.072 ( 0.000 0.000 2.910) 2.910 16.080 ( 0.000 0.000 -7.274) 7.274 16.105 ( 0.000 0.000 1.199) 1.199 16.210 ( 0.000 0.000 -7.221) 7.221 16.296 ( 0.000 0.000 0.950) 0.950 16.305 ( 0.000 0.000 4.719) 4.719 16.307 ( 0.000 0.000 0.033) 0.033 16.425 ( 0.000 0.000 -3.303) 3.303 16.438 ( 0.000 0.000 -6.607) 6.607 16.452 ( 0.000 0.000 -4.936) 4.936 16.708 ( 0.000 0.000 5.272) 5.272 16.780 ( 0.000 0.000 2.044) 2.044 16.847 ( 0.000 0.000 -3.424) 3.424 16.849 ( 0.000 0.000 -6.169) 6.169 16.922 ( 0.000 0.000 8.675) 8.675 17.075 ( 0.000 0.000 4.871) 4.871 17.108 ( 0.000 0.000 -7.700) 7.700 17.146 ( 0.000 0.000 -0.407) 0.407 17.154 ( 0.000 0.000 3.132) 3.132 17.169 ( 0.000 0.000 -0.475) 0.475 17.221 ( 0.000 0.000 11.323) 11.323 17.270 ( 0.000 0.000 -1.242) 1.242 17.302 ( 0.000 0.000 -2.200) 2.200 17.316 ( 0.000 0.000 1.367) 1.367 17.396 ( 0.000 0.000 2.212) 2.212 17.458 ( 0.000 0.000 -2.898) 2.898 17.482 ( 0.000 0.000 -1.678) 1.678 17.507 ( 0.000 0.000 -0.314) 0.314 17.610 ( 0.000 0.000 -4.744) 4.744 17.630 ( 0.000 0.000 -8.856) 8.856 17.671 ( 0.000 0.000 2.242) 2.242 17.679 ( 0.000 0.000 3.045) 3.045 17.812 ( 0.000 0.000 7.643) 7.643 17.915 ( 0.000 0.000 -1.138) 1.138 17.929 ( 0.000 0.000 12.985) 12.985 18.114 ( 0.000 0.000 2.457) 2.457 18.186 ( 0.000 0.000 -3.694) 3.694 18.190 ( 0.000 0.000 -9.335) 9.335 18.289 ( 0.000 0.000 0.591) 0.591 18.310 ( 0.000 0.000 -1.101) 1.101 18.409 ( 0.000 0.000 11.428) 11.428 18.571 ( 0.000 0.000 -3.422) 3.422 18.671 ( 0.000 0.000 4.866) 4.866 18.713 ( 0.000 0.000 11.188) 11.188 18.778 ( 0.000 0.000 -4.140) 4.140 18.789 ( 0.000 0.000 5.038) 5.038 18.892 ( 0.000 0.000 -2.218) 2.218 18.960 ( 0.000 0.000 -9.365) 9.365 19.219 ( 0.000 0.000 -2.308) 2.308 19.239 ( 0.000 0.000 -5.682) 5.682 19.430 ( 0.000 0.000 1.453) 1.453 19.447 ( 0.000 0.000 -0.081) 0.081 19.760 ( 0.000 0.000 4.103) 4.103 19.762 ( 0.000 0.000 2.974) 2.974 20.222 ( 0.000 0.000 1.780) 1.780 20.230 ( 0.000 0.000 1.410) 1.410 20.980 ( 0.000 0.000 2.201) 2.201 21.085 ( 0.000 0.000 -7.166) 7.166 21.412 ( 0.000 0.000 -1.341) 1.341 21.420 ( 0.000 0.000 -1.346) 1.346 21.445 ( 0.000 0.000 1.987) 1.987 21.554 ( 0.000 0.000 -7.443) 7.443 21.649 ( 0.000 0.000 2.871) 2.871 21.752 ( 0.000 0.000 -5.943) 5.943 ======================= Grid point 71 (26/36) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 17.088 0.000 36.155) 39.990 2.116 ( 25.195 0.000 32.956) 41.484 2.803 ( 11.312 0.000 -30.565) 32.591 2.832 ( 14.604 0.000 -31.461) 34.685 3.108 ( 16.678 0.000 50.631) 53.307 3.842 ( -11.786 0.000 5.177) 12.873 3.886 ( -13.304 0.000 -2.601) 13.556 4.005 ( -5.874 0.000 -14.217) 15.383 4.013 ( 0.708 0.000 4.558) 4.612 4.101 ( 2.935 0.000 -9.046) 9.511 4.132 ( -7.315 0.000 -2.308) 7.670 4.157 ( -0.368 0.000 -10.521) 10.527 4.221 ( 1.591 0.000 6.585) 6.775 4.361 ( -0.770 0.000 -5.206) 5.263 4.484 ( -4.203 0.000 5.646) 7.039 4.565 ( -8.448 0.000 1.250) 8.540 4.602 ( 1.723 0.000 0.159) 1.730 4.613 ( 4.271 0.000 -3.076) 5.264 4.637 ( -4.191 0.000 3.559) 5.498 4.742 ( -11.137 0.000 -4.796) 12.126 4.923 ( 4.783 0.000 0.866) 4.861 4.925 ( 3.879 0.000 1.562) 4.182 4.976 ( -0.667 0.000 2.724) 2.804 5.046 ( -3.232 0.000 -2.624) 4.163 5.940 ( 4.263 0.000 3.265) 5.370 5.994 ( 1.723 0.000 -1.126) 2.058 6.086 ( 0.081 0.000 4.320) 4.321 6.093 ( -1.107 0.000 4.149) 4.294 6.309 ( 7.028 0.000 3.717) 7.950 6.320 ( -3.543 0.000 2.340) 4.246 6.474 ( 0.248 0.000 -5.848) 5.853 6.491 ( 1.920 0.000 -5.515) 5.840 6.613 ( 5.963 0.000 -3.316) 6.823 6.664 ( 1.128 0.000 -6.226) 6.328 6.793 ( 2.878 0.000 -0.879) 3.009 6.807 ( 4.030 0.000 -1.089) 4.174 6.955 ( -7.410 0.000 -2.235) 7.740 7.004 ( 5.523 0.000 -4.125) 6.894 7.107 ( 2.039 0.000 10.526) 10.722 7.148 ( -6.142 0.000 2.513) 6.637 7.331 ( -2.168 0.000 3.873) 4.439 7.357 ( -2.241 0.000 -1.515) 2.705 7.553 ( -5.010 0.000 7.507) 9.026 7.626 ( -3.313 0.000 -2.214) 3.985 7.636 ( 6.876 0.000 -2.566) 7.339 7.720 ( 1.437 0.000 -5.761) 5.938 7.726 ( 1.401 0.000 0.081) 1.403 7.835 ( 0.022 0.000 -8.919) 8.919 7.836 ( 4.737 0.000 8.502) 9.732 7.912 ( 0.101 0.000 8.832) 8.832 7.959 ( 0.944 0.000 -5.537) 5.617 8.135 ( 0.483 0.000 -0.586) 0.759 8.144 ( 2.826 0.000 1.739) 3.319 8.216 ( -0.144 0.000 -11.956) 11.956 8.253 ( 3.609 0.000 6.263) 7.228 8.452 ( -1.007 0.000 -8.020) 8.083 8.502 ( 3.180 0.000 -1.341) 3.452 8.551 ( -4.108 0.000 -1.972) 4.556 8.618 ( -5.359 0.000 6.126) 8.140 8.701 ( 0.180 0.000 1.726) 1.735 8.709 ( -0.287 0.000 2.569) 2.585 8.806 ( -0.550 0.000 -6.142) 6.167 8.875 ( -0.570 0.000 2.825) 2.882 8.891 ( -1.857 0.000 0.718) 1.991 8.943 ( -4.410 0.000 -1.933) 4.815 9.011 ( -6.812 0.000 -5.391) 8.687 9.019 ( -1.427 0.000 1.797) 2.295 9.120 ( 2.063 0.000 -7.394) 7.677 9.218 ( 5.751 0.000 5.297) 7.819 9.256 ( 3.010 0.000 3.427) 4.561 9.295 ( 5.805 0.000 6.648) 8.826 9.307 ( 6.705 0.000 -0.582) 6.731 9.393 ( 1.214 0.000 -1.937) 2.287 9.489 ( 2.459 0.000 0.603) 2.532 9.491 ( -0.012 0.000 -6.054) 6.054 9.515 ( 1.415 0.000 -2.696) 3.045 9.622 ( -3.572 0.000 10.031) 10.648 9.696 ( -3.215 0.000 2.632) 4.155 9.722 ( 0.422 0.000 3.159) 3.187 9.764 ( -1.168 0.000 0.151) 1.178 9.838 ( 0.571 0.000 2.189) 2.263 9.849 ( -4.566 0.000 6.906) 8.279 9.926 ( -2.710 0.000 1.595) 3.145 9.956 ( -2.674 0.000 3.198) 4.168 10.015 ( -3.677 0.000 -4.675) 5.948 10.072 ( -2.599 0.000 -11.102) 11.403 10.093 ( -2.526 0.000 8.460) 8.830 10.152 ( -3.447 0.000 2.753) 4.411 10.285 ( 5.811 0.000 2.402) 6.288 10.289 ( -4.128 0.000 -2.579) 4.867 10.352 ( 6.059 0.000 -4.934) 7.814 10.367 ( 0.443 0.000 -6.485) 6.500 10.564 ( -1.990 0.000 2.840) 3.468 10.607 ( 1.632 0.000 2.865) 3.297 10.608 ( -0.348 0.000 -1.484) 1.525 10.706 ( -2.568 0.000 -5.000) 5.621 10.789 ( 0.740 0.000 7.086) 7.125 10.796 ( 3.531 0.000 5.048) 6.161 10.857 ( 2.727 0.000 1.563) 3.143 10.858 ( -0.420 0.000 1.978) 2.022 10.955 ( 0.433 0.000 -3.482) 3.509 10.972 ( 5.340 0.000 -3.189) 6.220 11.000 ( 1.240 0.000 0.092) 1.243 11.056 ( 0.371 0.000 -0.916) 0.989 11.163 ( 1.906 0.000 -1.683) 2.543 11.167 ( -2.970 0.000 -5.280) 6.058 11.191 ( 5.372 0.000 9.550) 10.957 11.319 ( 2.282 0.000 -3.065) 3.821 11.397 ( -0.714 0.000 -1.458) 1.624 11.425 ( 1.533 0.000 -6.477) 6.656 11.517 ( -5.485 0.000 5.464) 7.742 11.579 ( 2.474 0.000 -2.282) 3.366 11.590 ( 0.547 0.000 -1.866) 1.944 11.647 ( -2.440 0.000 -5.293) 5.828 11.795 ( -6.386 0.000 -0.490) 6.405 11.841 ( -6.283 0.000 -4.821) 7.920 11.958 ( 6.603 0.000 4.825) 8.177 12.050 ( 0.639 0.000 -3.044) 3.110 12.122 ( -7.092 0.000 3.728) 8.012 12.235 ( -7.664 0.000 4.197) 8.738 12.235 ( -1.060 0.000 -5.818) 5.914 12.298 ( -4.307 0.000 1.086) 4.442 12.315 ( -9.695 0.000 -1.191) 9.768 12.320 ( -4.609 0.000 -1.666) 4.901 12.465 ( 2.645 0.000 2.111) 3.384 12.521 ( 1.957 0.000 4.940) 5.313 12.564 ( 0.911 0.000 -3.562) 3.677 12.639 ( 5.880 0.000 -3.997) 7.110 12.741 ( -3.423 0.000 2.639) 4.322 12.766 ( -2.720 0.000 0.417) 2.751 12.821 ( 1.775 0.000 2.726) 3.253 12.829 ( 0.797 0.000 1.391) 1.603 12.876 ( 0.834 0.000 0.514) 0.979 12.888 ( -0.082 0.000 0.728) 0.733 12.919 ( -0.394 0.000 1.404) 1.458 12.955 ( 1.400 0.000 -2.080) 2.508 13.027 ( 0.019 0.000 0.815) 0.816 13.061 ( -4.102 0.000 -1.338) 4.315 13.144 ( 2.493 0.000 1.164) 2.751 13.162 ( -1.760 0.000 -0.442) 1.815 13.348 ( 4.119 0.000 1.270) 4.311 13.385 ( 4.701 0.000 -1.352) 4.891 13.386 ( 4.700 0.000 -3.681) 5.970 13.404 ( -1.283 0.000 -0.356) 1.332 13.485 ( 1.707 0.000 0.519) 1.784 13.486 ( -2.283 0.000 2.258) 3.210 13.626 ( 2.749 0.000 -2.207) 3.525 13.688 ( -1.888 0.000 -4.649) 5.018 13.883 ( -5.780 0.000 2.695) 6.377 13.961 ( -3.923 0.000 -3.701) 5.393 14.028 ( -5.988 0.000 3.585) 6.979 14.041 ( 2.723 0.000 3.159) 4.171 14.088 ( -3.785 0.000 -1.397) 4.035 14.105 ( 0.171 0.000 -1.513) 1.523 14.319 ( -1.927 0.000 1.437) 2.404 14.365 ( 1.756 0.000 -3.705) 4.100 14.391 ( 2.729 0.000 1.937) 3.347 14.475 ( 4.814 0.000 0.648) 4.857 14.477 ( 7.171 0.000 -5.952) 9.319 14.539 ( 5.507 0.000 -5.342) 7.672 14.686 ( 3.127 0.000 4.300) 5.317 14.734 ( 3.860 0.000 6.111) 7.228 14.787 ( 1.458 0.000 -4.826) 5.042 14.889 ( 2.389 0.000 -6.901) 7.303 15.166 ( -4.793 0.000 5.800) 7.525 15.272 ( -1.734 0.000 -3.522) 3.926 15.440 ( 0.601 0.000 7.387) 7.412 15.456 ( 6.843 0.000 0.876) 6.899 15.488 ( 3.073 0.000 -1.862) 3.593 15.529 ( -1.625 0.000 -1.008) 1.912 15.571 ( 3.137 0.000 2.028) 3.735 15.682 ( -0.756 0.000 -7.299) 7.338 15.918 ( -2.402 0.000 2.276) 3.309 15.944 ( -1.877 0.000 0.181) 1.886 15.956 ( 1.537 0.000 3.151) 3.505 16.014 ( -1.546 0.000 -1.385) 2.076 16.074 ( 3.487 0.000 6.559) 7.428 16.111 ( 1.529 0.000 3.795) 4.091 16.150 ( 4.068 0.000 -4.216) 5.859 16.222 ( 1.146 0.000 -4.529) 4.672 16.285 ( 1.346 0.000 4.845) 5.028 16.317 ( 1.549 0.000 2.589) 3.017 16.382 ( 3.590 0.000 0.019) 3.590 16.400 ( -0.551 0.000 -5.239) 5.268 16.416 ( -3.771 0.000 -4.662) 5.997 16.468 ( 1.137 0.000 -6.127) 6.232 16.708 ( -5.221 0.000 2.453) 5.769 16.720 ( 0.544 0.000 2.244) 2.309 16.845 ( 0.661 0.000 -1.572) 1.705 16.854 ( -3.186 0.000 3.616) 4.819 16.918 ( 1.803 0.000 -0.509) 1.873 17.008 ( -4.267 0.000 5.676) 7.101 17.022 ( -7.425 0.000 -5.431) 9.199 17.108 ( -2.500 0.000 -1.542) 2.938 17.170 ( 0.719 0.000 1.425) 1.597 17.194 ( 0.190 0.000 -0.919) 0.938 17.212 ( -1.759 0.000 9.665) 9.824 17.258 ( -0.450 0.000 -2.134) 2.181 17.276 ( 1.182 0.000 -1.786) 2.141 17.347 ( 0.659 0.000 0.010) 0.660 17.422 ( 3.638 0.000 3.137) 4.804 17.477 ( 1.685 0.000 0.137) 1.691 17.555 ( -0.641 0.000 -2.064) 2.162 17.582 ( 6.121 0.000 1.362) 6.271 17.613 ( 2.701 0.000 -5.816) 6.412 17.635 ( 4.431 0.000 -2.071) 4.891 17.734 ( 5.574 0.000 4.248) 7.008 17.737 ( 6.362 0.000 1.418) 6.518 17.805 ( -0.887 0.000 3.483) 3.594 17.865 ( -4.722 0.000 8.868) 10.047 17.895 ( -2.071 0.000 -1.814) 2.753 18.023 ( -6.470 0.000 -3.399) 7.309 18.201 ( -0.963 0.000 2.241) 2.439 18.249 ( 5.020 0.000 -2.595) 5.651 18.339 ( 1.320 0.000 2.421) 2.757 18.380 ( 6.778 0.000 -1.827) 7.020 18.440 ( 4.081 0.000 7.692) 8.708 18.523 ( -9.093 0.000 4.912) 10.335 18.525 ( -1.144 0.000 -0.553) 1.271 18.685 ( -6.552 0.000 -2.208) 6.915 18.726 ( -1.038 0.000 2.588) 2.788 18.883 ( 1.520 0.000 -2.632) 3.040 19.002 ( 6.794 0.000 1.445) 6.946 19.012 ( 6.846 0.000 -1.565) 7.023 19.135 ( -5.544 0.000 0.238) 5.549 19.220 ( 0.480 0.000 -6.754) 6.771 19.492 ( 4.747 0.000 2.435) 5.335 19.529 ( 4.782 0.000 -0.395) 4.799 19.755 ( 0.167 0.000 3.609) 3.613 19.767 ( 1.856 0.000 1.344) 2.292 20.193 ( -3.938 0.000 2.148) 4.486 20.201 ( -2.283 0.000 1.086) 2.528 20.991 ( 1.483 0.000 1.565) 2.156 21.077 ( -0.292 0.000 -6.062) 6.070 21.390 ( -3.030 0.000 -0.721) 3.115 21.393 ( -2.897 0.000 -0.583) 2.955 21.409 ( -2.707 0.000 -0.197) 2.714 21.499 ( -5.606 0.000 -6.715) 8.748 21.568 ( -8.061 0.000 2.229) 8.363 21.667 ( -7.993 0.000 -6.445) 10.268 ======================= Grid point 72 (27/36) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 26.660 0.000 28.863) 39.292 2.614 ( 26.586 0.000 25.821) 37.061 3.081 ( 17.554 0.000 -23.882) 29.639 3.140 ( 16.354 0.000 -20.635) 26.330 3.512 ( 11.811 0.000 20.873) 23.982 3.527 ( -23.117 0.000 7.827) 24.406 3.531 ( -11.396 0.000 13.342) 17.546 3.791 ( -14.881 0.000 -10.477) 18.199 3.943 ( -6.480 0.000 -1.302) 6.609 4.084 ( 4.309 0.000 3.219) 5.378 4.153 ( 2.687 0.000 -3.023) 4.045 4.268 ( 6.101 0.000 -15.277) 16.450 4.285 ( 2.854 0.000 5.041) 5.793 4.366 ( -2.713 0.000 0.406) 2.744 4.366 ( -2.813 0.000 1.791) 3.335 4.431 ( 3.010 0.000 -8.797) 9.298 4.506 ( -13.906 0.000 -1.992) 14.048 4.545 ( -3.489 0.000 -5.720) 6.700 4.719 ( 6.671 0.000 2.911) 7.279 4.744 ( 5.697 0.000 0.761) 5.748 4.890 ( -12.775 0.000 1.655) 12.882 4.913 ( -6.019 0.000 -0.275) 6.025 4.947 ( -1.493 0.000 1.671) 2.241 4.955 ( -1.934 0.000 0.958) 2.159 6.029 ( 4.364 0.000 1.776) 4.711 6.031 ( 1.703 0.000 1.285) 2.134 6.068 ( -0.933 0.000 3.085) 3.223 6.084 ( -0.164 0.000 1.838) 1.845 6.296 ( 1.473 0.000 3.460) 3.761 6.449 ( -3.288 0.000 1.208) 3.503 6.451 ( 5.362 0.000 -6.280) 8.258 6.539 ( 4.794 0.000 -3.921) 6.193 6.658 ( -0.393 0.000 -8.154) 8.164 6.666 ( 0.012 0.000 -4.318) 4.318 6.774 ( -5.166 0.000 2.209) 5.618 6.812 ( -5.583 0.000 -0.337) 5.593 7.006 ( 12.248 0.000 1.153) 12.302 7.060 ( 1.783 0.000 -0.274) 1.804 7.151 ( 2.488 0.000 7.239) 7.655 7.198 ( 8.420 0.000 0.360) 8.428 7.327 ( 1.250 0.000 2.437) 2.739 7.355 ( 3.413 0.000 0.902) 3.530 7.464 ( -2.970 0.000 -1.212) 3.208 7.467 ( -3.896 0.000 -2.345) 4.548 7.608 ( -8.023 0.000 -0.149) 8.025 7.723 ( -8.936 0.000 -9.378) 12.954 7.744 ( -7.385 0.000 6.104) 9.581 7.858 ( -0.475 0.000 -4.166) 4.193 7.919 ( 11.074 0.000 4.431) 11.927 8.000 ( 1.375 0.000 -2.824) 3.141 8.051 ( 12.020 0.000 6.875) 13.847 8.077 ( 3.604 0.000 2.524) 4.400 8.203 ( 2.378 0.000 3.058) 3.874 8.279 ( 2.537 0.000 -3.675) 4.466 8.322 ( 2.429 0.000 5.937) 6.414 8.377 ( -4.614 0.000 2.144) 5.088 8.482 ( -4.674 0.000 2.336) 5.226 8.509 ( -6.110 0.000 5.165) 8.001 8.636 ( 6.331 0.000 -11.378) 13.020 8.644 ( -3.292 0.000 4.418) 5.510 8.679 ( -0.816 0.000 -5.172) 5.236 8.771 ( -3.630 0.000 -3.362) 4.947 8.813 ( -4.698 0.000 -3.208) 5.689 8.853 ( -9.013 0.000 -1.832) 9.198 8.913 ( 3.997 0.000 -2.482) 4.705 8.923 ( 2.261 0.000 -0.308) 2.282 9.007 ( 0.108 0.000 -2.162) 2.165 9.111 ( -3.427 0.000 -7.959) 8.665 9.300 ( 2.946 0.000 6.128) 6.800 9.326 ( 4.795 0.000 3.162) 5.743 9.351 ( -1.282 0.000 5.974) 6.110 9.430 ( 3.959 0.000 0.117) 3.961 9.447 ( 5.771 0.000 5.181) 7.756 9.473 ( -0.626 0.000 -0.695) 0.936 9.576 ( 2.539 0.000 3.017) 3.943 9.600 ( 4.235 0.000 1.592) 4.524 9.626 ( 4.288 0.000 2.976) 5.219 9.646 ( 1.401 0.000 0.029) 1.401 9.722 ( 2.178 0.000 1.213) 2.493 9.778 ( 2.378 0.000 1.856) 3.016 9.785 ( -3.049 0.000 2.803) 4.142 9.824 ( -7.135 0.000 -3.485) 7.941 9.830 ( 0.769 0.000 0.383) 0.859 9.895 ( -4.106 0.000 2.412) 4.762 9.971 ( -1.191 0.000 -7.803) 7.894 10.023 ( -4.272 0.000 -9.198) 10.142 10.057 ( -6.203 0.000 5.183) 8.084 10.078 ( -2.069 0.000 7.223) 7.513 10.251 ( 2.446 0.000 -4.118) 4.790 10.255 ( -5.055 0.000 -5.181) 7.239 10.356 ( -2.566 0.000 -0.002) 2.566 10.412 ( -0.807 0.000 -4.448) 4.521 10.559 ( 2.468 0.000 3.964) 4.670 10.572 ( -3.472 0.000 0.339) 3.489 10.628 ( -4.183 0.000 -2.347) 4.796 10.634 ( 0.346 0.000 -4.920) 4.932 10.851 ( 5.935 0.000 2.128) 6.305 10.852 ( 2.362 0.000 5.661) 6.134 10.909 ( 3.181 0.000 4.520) 5.528 10.915 ( 3.908 0.000 0.443) 3.933 10.964 ( -1.527 0.000 -0.009) 1.527 10.983 ( -0.258 0.000 -4.038) 4.046 11.014 ( -1.714 0.000 3.470) 3.870 11.111 ( -3.423 0.000 -0.691) 3.492 11.117 ( 0.966 0.000 0.876) 1.305 11.206 ( 11.152 0.000 -7.626) 13.511 11.331 ( 6.146 0.000 8.798) 10.732 11.347 ( 3.899 0.000 1.508) 4.180 11.405 ( 0.637 0.000 -0.913) 1.114 11.489 ( 3.861 0.000 3.370) 5.125 11.524 ( -2.662 0.000 -2.260) 3.492 11.558 ( 5.534 0.000 -5.464) 7.777 11.602 ( -4.778 0.000 0.915) 4.865 11.642 ( -3.654 0.000 -1.624) 3.998 11.659 ( -1.980 0.000 -8.808) 9.028 11.691 ( -6.071 0.000 -3.653) 7.086 11.923 ( -9.516 0.000 4.137) 10.377 11.979 ( -7.464 0.000 0.145) 7.466 12.034 ( -10.535 0.000 2.711) 10.879 12.100 ( 2.375 0.000 6.670) 7.080 12.118 ( -8.681 0.000 -4.699) 9.871 12.226 ( -0.960 0.000 -0.958) 1.356 12.233 ( -2.676 0.000 0.351) 2.699 12.265 ( -1.087 0.000 -7.069) 7.152 12.533 ( 4.199 0.000 0.250) 4.206 12.558 ( 1.864 0.000 -1.000) 2.115 12.603 ( 3.717 0.000 3.208) 4.910 12.684 ( -2.480 0.000 1.951) 3.156 12.685 ( -3.352 0.000 -2.801) 4.368 12.721 ( 1.768 0.000 -2.449) 3.020 12.831 ( -3.504 0.000 2.012) 4.040 12.848 ( 0.110 0.000 2.413) 2.415 12.880 ( 1.890 0.000 1.542) 2.440 12.890 ( -1.113 0.000 -0.115) 1.119 12.908 ( -0.757 0.000 4.075) 4.144 12.972 ( -3.861 0.000 -0.901) 3.965 13.058 ( 7.654 0.000 -1.914) 7.890 13.064 ( 5.403 0.000 -2.661) 6.023 13.179 ( 2.456 0.000 3.272) 4.091 13.214 ( 3.055 0.000 -1.638) 3.466 13.369 ( -1.163 0.000 3.154) 3.362 13.403 ( 2.579 0.000 -0.703) 2.673 13.448 ( 0.362 0.000 0.204) 0.415 13.461 ( 3.228 0.000 -1.247) 3.460 13.477 ( 1.583 0.000 0.876) 1.809 13.514 ( 0.715 0.000 -1.736) 1.878 13.632 ( -3.375 0.000 -3.086) 4.573 13.637 ( -3.711 0.000 -2.530) 4.491 13.813 ( 0.588 0.000 3.762) 3.807 13.908 ( -0.987 0.000 -4.443) 4.552 13.947 ( -2.635 0.000 2.356) 3.535 13.997 ( -5.301 0.000 -2.159) 5.724 14.086 ( 1.633 0.000 2.004) 2.585 14.106 ( 0.524 0.000 0.926) 1.064 14.227 ( -6.301 0.000 3.459) 7.188 14.295 ( -6.985 0.000 -2.570) 7.443 14.488 ( 6.042 0.000 2.377) 6.493 14.550 ( 2.876 0.000 1.607) 3.295 14.595 ( 4.249 0.000 -5.938) 7.302 14.628 ( 3.091 0.000 -6.808) 7.477 14.740 ( 2.432 0.000 5.252) 5.788 14.795 ( 1.437 0.000 4.925) 5.130 14.846 ( 4.072 0.000 -4.481) 6.054 14.922 ( 0.770 0.000 -5.849) 5.899 15.134 ( 1.998 0.000 6.148) 6.464 15.275 ( 2.174 0.000 -6.178) 6.549 15.358 ( -6.591 0.000 6.357) 9.157 15.455 ( -5.429 0.000 -2.780) 6.100 15.599 ( 4.962 0.000 -0.235) 4.967 15.633 ( 9.619 0.000 0.514) 9.633 15.688 ( 10.237 0.000 0.017) 10.237 15.695 ( 3.061 0.000 -3.587) 4.716 15.825 ( -5.710 0.000 -0.766) 5.762 15.878 ( -3.670 0.000 -5.794) 6.859 15.995 ( 0.641 0.000 0.612) 0.887 16.006 ( -1.440 0.000 -0.862) 1.679 16.140 ( 3.241 0.000 3.933) 5.096 16.169 ( 4.074 0.000 8.530) 9.453 16.197 ( 0.074 0.000 -1.763) 1.765 16.239 ( 0.117 0.000 -3.379) 3.381 16.278 ( -5.388 0.000 0.355) 5.399 16.322 ( -3.378 0.000 4.564) 5.678 16.332 ( 1.620 0.000 0.672) 1.754 16.452 ( 4.750 0.000 -3.402) 5.842 16.460 ( -0.584 0.000 -6.151) 6.179 16.465 ( 5.586 0.000 -2.635) 6.176 16.627 ( -3.315 0.000 3.455) 4.788 16.696 ( -3.607 0.000 -3.308) 4.894 16.798 ( -1.438 0.000 4.438) 4.666 16.882 ( 1.812 0.000 -1.000) 2.070 16.901 ( -4.470 0.000 -1.424) 4.692 16.907 ( -3.369 0.000 -2.839) 4.406 16.994 ( 2.960 0.000 6.682) 7.308 17.075 ( 0.059 0.000 -0.763) 0.766 17.145 ( -3.814 0.000 8.175) 9.021 17.185 ( -1.480 0.000 0.838) 1.701 17.206 ( 1.737 0.000 1.553) 2.331 17.267 ( 1.087 0.000 -2.994) 3.185 17.279 ( -1.054 0.000 -2.931) 3.115 17.342 ( -1.321 0.000 -2.055) 2.443 17.492 ( -0.803 0.000 6.082) 6.135 17.513 ( -1.221 0.000 4.972) 5.120 17.517 ( 6.373 0.000 2.657) 6.904 17.653 ( 4.417 0.000 -1.654) 4.717 17.697 ( -0.275 0.000 4.196) 4.205 17.731 ( 4.259 0.000 -2.937) 5.173 17.769 ( -3.459 0.000 1.786) 3.893 17.805 ( -0.804 0.000 -1.911) 2.073 17.852 ( 7.264 0.000 1.017) 7.334 17.893 ( 8.919 0.000 0.579) 8.938 17.907 ( 1.491 0.000 -1.604) 2.191 17.926 ( 1.589 0.000 -2.459) 2.928 18.138 ( -5.415 0.000 6.709) 8.622 18.254 ( -4.512 0.000 -1.927) 4.907 18.302 ( -10.335 0.000 4.942) 11.456 18.368 ( 0.278 0.000 -0.083) 0.290 18.524 ( -4.590 0.000 -1.679) 4.887 18.561 ( 7.986 0.000 -2.455) 8.354 18.570 ( 9.156 0.000 2.670) 9.537 18.579 ( 0.396 0.000 4.643) 4.660 18.744 ( 4.605 0.000 1.122) 4.740 18.852 ( -3.462 0.000 -6.370) 7.250 18.970 ( -7.679 0.000 3.443) 8.416 19.013 ( -4.472 0.000 -0.036) 4.472 19.230 ( 10.441 0.000 3.379) 10.974 19.327 ( 8.733 0.000 -4.921) 10.024 19.527 ( -4.413 0.000 2.220) 4.940 19.531 ( -1.285 0.000 1.523) 1.993 19.812 ( 6.388 0.000 3.344) 7.210 19.873 ( 8.469 0.000 -2.611) 8.863 20.092 ( -6.795 0.000 3.009) 7.431 20.136 ( -4.779 0.000 -0.963) 4.875 21.049 ( 5.257 0.000 0.284) 5.265 21.098 ( 2.993 0.000 -3.884) 4.903 21.298 ( -6.120 0.000 0.630) 6.152 21.325 ( -3.312 0.000 0.000) 3.312 21.370 ( -8.361 0.000 -4.260) 9.384 21.379 ( -0.811 0.000 -4.783) 4.851 21.395 ( -8.659 0.000 1.573) 8.801 21.508 ( -8.175 0.000 -8.290) 11.643 ======================= Grid point 73 (28/36) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( -27.878 0.000 21.392) 35.140 2.989 ( 27.878 0.000 21.392) 35.140 3.075 ( -23.075 0.000 20.324) 30.749 3.075 ( 23.075 0.000 20.324) 30.749 3.460 ( -16.795 0.000 -19.483) 25.723 3.460 ( 16.795 0.000 -19.483) 25.723 3.499 ( -16.029 0.000 -17.873) 24.007 3.499 ( 16.029 0.000 -17.873) 24.007 4.140 ( -7.998 0.000 8.463) 11.644 4.140 ( 7.998 0.000 8.463) 11.644 4.224 ( -5.015 0.000 -0.812) 5.080 4.224 ( 5.015 0.000 -0.812) 5.080 4.245 ( -6.234 0.000 5.770) 8.495 4.245 ( 6.234 0.000 5.770) 8.495 4.411 ( -5.178 0.000 -7.598) 9.194 4.411 ( 5.178 0.000 -7.598) 9.194 4.546 ( -17.016 0.000 3.788) 17.432 4.546 ( 17.016 0.000 3.788) 17.432 4.683 ( -12.464 0.000 -6.642) 14.123 4.683 ( 12.464 0.000 -6.642) 14.123 4.876 ( -6.074 0.000 1.959) 6.383 4.876 ( 6.074 0.000 1.959) 6.383 4.887 ( -4.129 0.000 0.687) 4.186 4.887 ( 4.129 0.000 0.687) 4.186 6.054 ( -0.859 0.000 2.741) 2.872 6.054 ( 0.859 0.000 2.741) 2.872 6.077 ( -0.988 0.000 0.803) 1.273 6.077 ( 0.988 0.000 0.803) 1.273 6.367 ( -5.144 0.000 2.912) 5.911 6.367 ( 5.144 0.000 2.912) 5.911 6.535 ( -4.178 0.000 -9.706) 10.567 6.535 ( 4.178 0.000 -9.706) 10.567 6.685 ( -2.900 0.000 0.932) 3.046 6.685 ( 2.900 0.000 0.932) 3.046 6.715 ( -5.238 0.000 -2.545) 5.823 6.715 ( 5.238 0.000 -2.545) 5.823 7.151 ( -3.397 0.000 2.371) 4.142 7.151 ( 3.397 0.000 2.371) 4.142 7.153 ( -7.268 0.000 3.203) 7.942 7.153 ( 7.268 0.000 3.203) 7.942 7.454 ( -6.803 0.000 0.689) 6.838 7.454 ( 6.803 0.000 0.689) 6.838 7.506 ( -9.295 0.000 -4.645) 10.391 7.506 ( 9.295 0.000 -4.645) 10.391 7.523 ( -10.635 0.000 3.762) 11.280 7.523 ( 10.635 0.000 3.762) 11.280 7.642 ( -12.780 0.000 -6.006) 14.120 7.642 ( 12.780 0.000 -6.006) 14.120 8.129 ( -4.043 0.000 3.414) 5.292 8.129 ( 4.043 0.000 3.414) 5.292 8.147 ( -9.124 0.000 5.797) 10.810 8.147 ( 9.124 0.000 5.797) 10.810 8.260 ( -9.056 0.000 3.836) 9.835 8.260 ( 9.056 0.000 3.836) 9.835 8.292 ( -2.947 0.000 -0.032) 2.947 8.292 ( 2.947 0.000 -0.032) 2.947 8.421 ( -2.076 0.000 6.479) 6.804 8.421 ( 2.076 0.000 6.479) 6.804 8.676 ( -4.310 0.000 -7.796) 8.909 8.676 ( 4.310 0.000 -7.796) 8.909 8.697 ( -7.222 0.000 0.889) 7.276 8.697 ( 7.222 0.000 0.889) 7.276 8.752 ( -3.418 0.000 -4.969) 6.031 8.752 ( 3.418 0.000 -4.969) 6.031 8.986 ( -3.179 0.000 -4.025) 5.129 8.986 ( 3.179 0.000 -4.025) 5.129 9.015 ( -6.194 0.000 -5.121) 8.037 9.015 ( 6.194 0.000 -5.121) 8.037 9.332 ( -0.865 0.000 6.408) 6.466 9.332 ( 0.865 0.000 6.408) 6.466 9.410 ( -3.508 0.000 -0.790) 3.596 9.410 ( 3.508 0.000 -0.790) 3.596 9.534 ( -4.259 0.000 7.761) 8.853 9.534 ( 4.259 0.000 7.761) 8.853 9.546 ( -5.928 0.000 7.955) 9.921 9.546 ( 5.928 0.000 7.955) 9.921 9.719 ( -4.450 0.000 -1.907) 4.841 9.719 ( 4.450 0.000 -1.907) 4.841 9.726 ( -3.105 0.000 -4.785) 5.705 9.726 ( 3.105 0.000 -4.785) 5.705 9.814 ( -4.622 0.000 3.140) 5.587 9.814 ( 4.622 0.000 3.140) 5.587 9.879 ( -7.679 0.000 3.023) 8.253 9.879 ( 7.679 0.000 3.023) 8.253 9.930 ( -10.179 0.000 -0.994) 10.227 9.930 ( 10.179 0.000 -0.994) 10.227 9.993 ( -3.222 0.000 -10.968) 11.432 9.993 ( 3.222 0.000 -10.968) 11.432 10.276 ( -4.797 0.000 1.295) 4.969 10.276 ( 4.797 0.000 1.295) 4.969 10.336 ( -5.805 0.000 -2.820) 6.454 10.336 ( 5.805 0.000 -2.820) 6.454 10.561 ( -2.368 0.000 0.090) 2.370 10.561 ( 2.368 0.000 0.090) 2.370 10.613 ( -2.446 0.000 -3.370) 4.164 10.613 ( 2.446 0.000 -3.370) 4.164 10.907 ( -3.206 0.000 3.294) 4.596 10.907 ( 3.206 0.000 3.294) 4.596 10.945 ( -2.884 0.000 0.856) 3.008 10.945 ( 2.884 0.000 0.856) 3.008 10.962 ( -2.766 0.000 2.092) 3.469 10.962 ( 2.766 0.000 2.092) 3.469 11.006 ( -6.293 0.000 -1.684) 6.514 11.006 ( 6.293 0.000 -1.684) 6.514 11.261 ( -10.187 0.000 7.391) 12.586 11.261 ( 10.187 0.000 7.391) 12.586 11.415 ( -3.958 0.000 -2.977) 4.953 11.415 ( 3.958 0.000 -2.977) 4.953 11.465 ( -4.914 0.000 -1.545) 5.151 11.465 ( 4.914 0.000 -1.545) 5.151 11.473 ( -5.418 0.000 -4.889) 7.298 11.473 ( 5.418 0.000 -4.889) 7.298 11.636 ( -5.049 0.000 1.827) 5.369 11.636 ( 5.049 0.000 1.827) 5.369 11.660 ( -5.094 0.000 -2.344) 5.607 11.660 ( 5.094 0.000 -2.344) 5.607 11.832 ( -4.021 0.000 4.434) 5.985 11.832 ( 4.021 0.000 4.434) 5.985 11.961 ( -6.791 0.000 -5.401) 8.677 11.961 ( 6.791 0.000 -5.401) 8.677 12.175 ( -3.797 0.000 2.828) 4.734 12.175 ( 3.797 0.000 2.828) 4.734 12.242 ( -1.647 0.000 -4.069) 4.389 12.242 ( 1.647 0.000 -4.069) 4.389 12.604 ( -2.907 0.000 0.040) 2.907 12.604 ( 2.907 0.000 0.040) 2.907 12.611 ( -4.180 0.000 -0.819) 4.259 12.611 ( 4.180 0.000 -0.819) 4.259 12.729 ( -6.243 0.000 2.516) 6.731 12.729 ( 6.243 0.000 2.516) 6.731 12.784 ( -4.683 0.000 -1.799) 5.017 12.784 ( 4.683 0.000 -1.799) 5.017 12.896 ( -1.079 0.000 2.585) 2.801 12.896 ( 1.079 0.000 2.585) 2.801 12.918 ( -2.123 0.000 0.584) 2.202 12.918 ( 2.123 0.000 0.584) 2.202 13.173 ( -4.286 0.000 1.146) 4.437 13.173 ( 4.286 0.000 1.146) 4.437 13.193 ( -5.361 0.000 -1.069) 5.466 13.193 ( 5.361 0.000 -1.069) 5.466 13.397 ( -3.970 0.000 4.301) 5.853 13.397 ( 3.970 0.000 4.301) 5.853 13.462 ( -2.787 0.000 -1.749) 3.290 13.462 ( 2.787 0.000 -1.749) 3.290 13.542 ( -4.710 0.000 -1.703) 5.009 13.542 ( 4.710 0.000 -1.703) 5.009 13.555 ( -4.448 0.000 -2.457) 5.081 13.555 ( 4.448 0.000 -2.457) 5.081 13.890 ( -5.981 0.000 0.686) 6.020 13.890 ( 5.981 0.000 0.686) 6.020 13.919 ( -1.097 0.000 -1.710) 2.032 13.919 ( 1.097 0.000 -1.710) 2.032 14.129 ( -3.666 0.000 2.204) 4.278 14.129 ( 3.666 0.000 2.204) 4.278 14.161 ( -6.030 0.000 -0.125) 6.031 14.161 ( 6.030 0.000 -0.125) 6.031 14.566 ( -1.647 0.000 2.050) 2.629 14.566 ( 1.647 0.000 2.050) 2.629 14.644 ( -1.105 0.000 -5.292) 5.406 14.644 ( 1.105 0.000 -5.292) 5.406 14.781 ( -2.111 0.000 5.404) 5.801 14.781 ( 2.111 0.000 5.404) 5.801 14.908 ( -2.309 0.000 -5.523) 5.986 14.908 ( 2.309 0.000 -5.523) 5.986 15.226 ( -6.996 0.000 5.829) 9.106 15.226 ( 6.996 0.000 5.829) 9.106 15.348 ( -5.433 0.000 -4.825) 7.266 15.348 ( 5.433 0.000 -4.825) 7.266 15.695 ( -5.698 0.000 0.762) 5.749 15.695 ( 5.698 0.000 0.762) 5.749 15.732 ( -2.888 0.000 -1.078) 3.082 15.732 ( 2.888 0.000 -1.078) 3.082 15.913 ( -9.599 0.000 -2.473) 9.913 15.913 ( 9.599 0.000 -2.473) 9.913 15.914 ( -7.542 0.000 -4.634) 8.852 15.914 ( 7.542 0.000 -4.634) 8.852 16.190 ( -2.721 0.000 1.763) 3.243 16.190 ( 2.721 0.000 1.763) 3.243 16.210 ( -2.061 0.000 -1.298) 2.436 16.210 ( 2.061 0.000 -1.298) 2.436 16.250 ( -4.456 0.000 8.042) 9.194 16.250 ( 4.456 0.000 8.042) 9.194 16.398 ( -4.193 0.000 -3.716) 5.602 16.398 ( 4.193 0.000 -3.716) 5.602 16.566 ( -4.285 0.000 0.520) 4.317 16.566 ( 4.285 0.000 0.520) 4.317 16.589 ( -7.382 0.000 -3.052) 7.988 16.589 ( 7.382 0.000 -3.052) 7.988 16.817 ( -3.495 0.000 1.706) 3.889 16.817 ( 3.495 0.000 1.706) 3.889 16.888 ( -0.958 0.000 -3.480) 3.610 16.888 ( 0.958 0.000 -3.480) 3.610 17.064 ( -4.379 0.000 8.804) 9.833 17.064 ( 4.379 0.000 8.804) 9.833 17.127 ( -4.329 0.000 2.432) 4.965 17.127 ( 4.329 0.000 2.432) 4.965 17.247 ( -2.221 0.000 -1.967) 2.967 17.247 ( 2.221 0.000 -1.967) 2.967 17.302 ( -2.506 0.000 -4.844) 5.454 17.302 ( 2.506 0.000 -4.844) 5.454 17.492 ( -1.128 0.000 11.368) 11.424 17.492 ( 1.128 0.000 11.368) 11.424 17.643 ( -6.534 0.000 2.607) 7.035 17.643 ( 6.534 0.000 2.607) 7.035 17.708 ( -2.237 0.000 0.766) 2.365 17.708 ( 2.237 0.000 0.766) 2.365 17.767 ( -4.594 0.000 -8.890) 10.007 17.767 ( 4.594 0.000 -8.890) 10.007 17.967 ( -6.251 0.000 2.726) 6.820 17.967 ( 6.251 0.000 2.726) 6.820 17.981 ( -3.326 0.000 0.728) 3.405 17.981 ( 3.326 0.000 0.728) 3.405 18.121 ( -8.088 0.000 4.858) 9.435 18.121 ( 8.088 0.000 4.858) 9.435 18.246 ( -7.159 0.000 -4.887) 8.668 18.246 ( 7.159 0.000 -4.887) 8.668 18.546 ( -3.556 0.000 6.045) 7.013 18.546 ( 3.556 0.000 6.045) 7.013 18.678 ( -2.012 0.000 -3.867) 4.359 18.678 ( 2.012 0.000 -3.867) 4.359 18.831 ( -5.149 0.000 2.430) 5.694 18.831 ( 5.149 0.000 2.430) 5.694 18.886 ( -8.624 0.000 -1.016) 8.684 18.886 ( 8.624 0.000 -1.016) 8.684 19.406 ( -8.296 0.000 3.353) 8.948 19.406 ( 8.296 0.000 3.353) 8.948 19.464 ( -5.637 0.000 -1.953) 5.966 19.464 ( 5.637 0.000 -1.953) 5.966 19.953 ( -8.002 0.000 3.432) 8.707 19.953 ( 8.002 0.000 3.432) 8.707 20.025 ( -7.336 0.000 -2.935) 7.901 20.025 ( 7.336 0.000 -2.935) 7.901 21.185 ( -5.922 0.000 -1.053) 6.015 21.185 ( 5.922 0.000 -1.053) 6.015 21.187 ( -9.342 0.000 -1.061) 9.402 21.187 ( 9.342 0.000 -1.061) 9.402 21.307 ( -1.492 0.000 0.441) 1.556 21.307 ( 1.492 0.000 0.441) 1.556 21.397 ( -3.355 0.000 -7.976) 8.653 21.397 ( 3.355 0.000 -7.976) 8.653 ======================= Grid point 77 (29/36) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 0.000 20.309 34.832) 40.320 2.178 ( 0.000 22.019 32.993) 39.666 2.833 ( 0.000 12.834 -32.401) 34.851 2.868 ( 0.000 14.124 -28.861) 32.132 3.174 ( 0.000 19.438 47.654) 51.466 3.726 ( 0.000 -16.460 7.382) 18.040 3.792 ( 0.000 -18.197 8.615) 20.133 3.879 ( 0.000 -10.481 -5.911) 12.033 4.049 ( 0.000 -4.588 -12.473) 13.290 4.053 ( 0.000 0.444 -23.059) 23.063 4.136 ( 0.000 -1.030 1.005) 1.439 4.147 ( 0.000 -1.311 -0.467) 1.391 4.392 ( 0.000 6.503 0.512) 6.523 4.400 ( 0.000 -5.799 1.324) 5.948 4.424 ( 0.000 -2.431 -1.854) 3.057 4.440 ( 0.000 3.245 -2.974) 4.402 4.630 ( 0.000 -2.043 4.401) 4.852 4.722 ( 0.000 -6.658 3.587) 7.563 4.730 ( 0.000 -2.513 -4.353) 5.026 4.777 ( 0.000 3.174 6.335) 7.086 4.784 ( 0.000 -5.384 -1.664) 5.635 4.932 ( 0.000 3.764 -6.490) 7.503 4.949 ( 0.000 -1.546 6.553) 6.733 5.054 ( 0.000 -0.559 -2.399) 2.463 5.980 ( 0.000 6.837 4.646) 8.266 6.031 ( 0.000 0.542 8.976) 8.992 6.082 ( 0.000 6.918 -3.981) 7.982 6.188 ( 0.000 4.148 2.416) 4.800 6.302 ( 0.000 2.254 -1.222) 2.564 6.362 ( 0.000 0.097 -1.330) 1.333 6.405 ( 0.000 0.117 8.389) 8.390 6.541 ( 0.000 3.457 -6.079) 6.993 6.587 ( 0.000 -3.677 -6.451) 7.425 6.614 ( 0.000 3.162 -10.294) 10.768 6.714 ( 0.000 0.002 3.901) 3.901 6.783 ( 0.000 -2.041 -0.365) 2.074 6.930 ( 0.000 -10.049 5.954) 11.680 6.935 ( 0.000 -2.311 -1.272) 2.637 7.045 ( 0.000 -1.026 -10.014) 10.067 7.105 ( 0.000 -7.188 -1.677) 7.381 7.371 ( 0.000 -0.896 13.426) 13.456 7.405 ( 0.000 3.445 5.729) 6.685 7.582 ( 0.000 0.719 5.486) 5.533 7.602 ( 0.000 -5.175 -3.440) 6.214 7.653 ( 0.000 4.440 -3.347) 5.560 7.729 ( 0.000 7.296 0.129) 7.297 7.770 ( 0.000 -0.785 3.036) 3.135 7.835 ( 0.000 1.041 -0.246) 1.069 7.895 ( 0.000 7.488 -5.183) 9.107 7.970 ( 0.000 4.499 6.953) 8.282 7.995 ( 0.000 3.388 -12.284) 12.742 8.090 ( 0.000 -0.324 4.289) 4.301 8.220 ( 0.000 5.951 -5.169) 7.883 8.267 ( 0.000 2.809 -9.381) 9.792 8.271 ( 0.000 4.958 4.594) 6.760 8.387 ( 0.000 -2.738 -4.522) 5.286 8.499 ( 0.000 -2.213 1.659) 2.766 8.570 ( 0.000 -7.403 3.117) 8.032 8.580 ( 0.000 -2.614 -4.522) 5.223 8.637 ( 0.000 -4.639 -4.116) 6.201 8.718 ( 0.000 3.273 2.958) 4.412 8.809 ( 0.000 -3.230 6.475) 7.236 8.829 ( 0.000 2.309 -5.358) 5.835 8.942 ( 0.000 2.327 5.098) 5.604 8.954 ( 0.000 -5.389 -3.926) 6.667 9.029 ( 0.000 0.293 5.288) 5.296 9.064 ( 0.000 4.674 -4.634) 6.582 9.145 ( 0.000 1.493 4.572) 4.810 9.158 ( 0.000 0.822 -4.939) 5.006 9.230 ( 0.000 1.756 -3.342) 3.775 9.293 ( 0.000 2.397 2.793) 3.681 9.347 ( 0.000 3.849 -1.805) 4.251 9.368 ( 0.000 0.273 6.070) 6.076 9.498 ( 0.000 -2.339 -1.136) 2.600 9.502 ( 0.000 0.591 4.190) 4.232 9.540 ( 0.000 2.090 2.937) 3.605 9.581 ( 0.000 -0.899 -1.338) 1.612 9.608 ( 0.000 -5.421 4.021) 6.749 9.651 ( 0.000 -6.065 -4.915) 7.806 9.758 ( 0.000 -1.533 -3.282) 3.623 9.799 ( 0.000 -6.102 4.278) 7.453 9.857 ( 0.000 3.552 8.159) 8.898 9.933 ( 0.000 -3.990 -3.175) 5.099 9.960 ( 0.000 0.566 5.328) 5.358 10.102 ( 0.000 -0.010 1.172) 1.172 10.144 ( 0.000 -1.916 -0.950) 2.139 10.204 ( 0.000 -0.923 1.489) 1.752 10.208 ( 0.000 -0.068 -2.942) 2.943 10.217 ( 0.000 3.112 0.097) 3.113 10.292 ( 0.000 0.043 5.498) 5.498 10.299 ( 0.000 -3.692 -5.254) 6.421 10.402 ( 0.000 -2.241 -1.544) 2.721 10.482 ( 0.000 -6.724 0.353) 6.733 10.505 ( 0.000 -1.653 4.479) 4.775 10.555 ( 0.000 -4.715 -5.446) 7.204 10.583 ( 0.000 -1.607 -0.853) 1.819 10.666 ( 0.000 -7.882 10.438) 13.080 10.771 ( 0.000 2.015 3.860) 4.354 10.812 ( 0.000 -2.168 -4.072) 4.613 10.839 ( 0.000 3.548 -1.741) 3.952 10.912 ( 0.000 -1.930 -3.237) 3.768 10.970 ( 0.000 -1.222 -8.529) 8.617 10.984 ( 0.000 -1.556 -1.456) 2.131 11.001 ( 0.000 -3.270 -3.327) 4.665 11.146 ( 0.000 1.387 5.899) 6.059 11.178 ( 0.000 2.372 4.197) 4.821 11.274 ( 0.000 2.062 -3.187) 3.796 11.334 ( 0.000 6.515 -8.941) 11.063 11.491 ( 0.000 4.870 -0.004) 4.870 11.544 ( 0.000 3.910 1.256) 4.107 11.555 ( 0.000 4.661 -5.108) 6.915 11.602 ( 0.000 6.360 -2.978) 7.023 11.699 ( 0.000 5.447 6.910) 8.798 11.797 ( 0.000 4.838 -0.163) 4.841 11.856 ( 0.000 -2.303 2.399) 3.326 11.869 ( 0.000 1.680 3.241) 3.651 11.944 ( 0.000 2.812 -2.300) 3.633 12.065 ( 0.000 2.450 -12.812) 13.044 12.070 ( 0.000 -4.290 2.846) 5.148 12.151 ( 0.000 -6.134 -4.108) 7.382 12.331 ( 0.000 -0.531 3.354) 3.396 12.338 ( 0.000 1.109 4.280) 4.421 12.375 ( 0.000 -1.633 -0.753) 1.798 12.437 ( 0.000 3.309 -4.898) 5.911 12.484 ( 0.000 2.818 3.508) 4.499 12.518 ( 0.000 -2.253 1.677) 2.808 12.523 ( 0.000 0.454 -0.779) 0.901 12.540 ( 0.000 -2.905 -0.271) 2.918 12.790 ( 0.000 -0.512 -1.013) 1.135 12.802 ( 0.000 -0.788 -2.907) 3.012 12.809 ( 0.000 3.799 3.387) 5.089 12.840 ( 0.000 0.560 1.553) 1.651 12.877 ( 0.000 -0.904 4.846) 4.929 12.920 ( 0.000 -2.559 2.517) 3.589 12.944 ( 0.000 2.864 -0.321) 2.882 12.947 ( 0.000 0.426 -0.002) 0.426 13.001 ( 0.000 -0.200 2.571) 2.578 13.050 ( 0.000 -5.011 1.357) 5.191 13.100 ( 0.000 -1.649 -4.742) 5.020 13.127 ( 0.000 -8.913 -2.872) 9.364 13.247 ( 0.000 -0.187 -0.163) 0.248 13.257 ( 0.000 -0.703 -1.541) 1.693 13.354 ( 0.000 -1.389 -0.180) 1.401 13.364 ( 0.000 -0.665 0.036) 0.666 13.580 ( 0.000 2.446 1.867) 3.078 13.588 ( 0.000 5.548 2.842) 6.233 13.661 ( 0.000 -2.148 -4.655) 5.127 13.680 ( 0.000 6.862 -5.259) 8.645 13.878 ( 0.000 -4.457 2.172) 4.958 13.939 ( 0.000 -2.994 -2.552) 3.934 13.997 ( 0.000 0.191 2.994) 3.000 14.059 ( 0.000 -2.132 -1.823) 2.805 14.118 ( 0.000 -6.964 2.529) 7.408 14.119 ( 0.000 -2.096 0.448) 2.143 14.157 ( 0.000 -1.057 -1.897) 2.172 14.230 ( 0.000 -5.062 -6.074) 7.907 14.399 ( 0.000 2.752 6.238) 6.818 14.520 ( 0.000 5.701 3.560) 6.721 14.555 ( 0.000 6.909 -7.072) 9.887 14.579 ( 0.000 8.994 -1.648) 9.144 14.713 ( 0.000 2.472 3.683) 4.436 14.786 ( 0.000 8.946 6.158) 10.861 14.850 ( 0.000 -1.021 -7.521) 7.590 14.913 ( 0.000 9.026 -4.474) 10.074 15.225 ( 0.000 -1.784 4.787) 5.109 15.292 ( 0.000 -0.872 -0.197) 0.894 15.335 ( 0.000 -2.603 4.893) 5.542 15.392 ( 0.000 0.489 -0.513) 0.709 15.469 ( 0.000 -3.690 1.033) 3.832 15.493 ( 0.000 -2.987 -1.512) 3.348 15.533 ( 0.000 -0.116 3.771) 3.773 15.677 ( 0.000 -1.405 -7.313) 7.447 15.816 ( 0.000 -5.687 3.627) 6.745 15.920 ( 0.000 -2.290 -3.617) 4.281 15.929 ( 0.000 -10.180 5.642) 11.639 15.995 ( 0.000 -7.083 0.366) 7.092 16.021 ( 0.000 4.581 8.868) 9.981 16.067 ( 0.000 -2.035 3.896) 4.395 16.159 ( 0.000 5.745 -5.749) 8.128 16.160 ( 0.000 2.729 -2.930) 4.004 16.329 ( 0.000 -1.136 2.005) 2.304 16.398 ( 0.000 6.940 0.166) 6.942 16.406 ( 0.000 1.646 0.584) 1.746 16.442 ( 0.000 0.620 -4.492) 4.535 16.475 ( 0.000 2.662 -5.411) 6.030 16.487 ( 0.000 6.688 -4.320) 7.962 16.718 ( 0.000 1.705 6.025) 6.262 16.803 ( 0.000 2.135 0.123) 2.139 16.841 ( 0.000 -0.493 -2.890) 2.932 16.850 ( 0.000 -0.175 -5.251) 5.254 16.889 ( 0.000 -3.058 6.982) 7.623 17.044 ( 0.000 -1.838 -2.497) 3.101 17.091 ( 0.000 -4.111 -0.232) 4.118 17.106 ( 0.000 -0.516 3.596) 3.633 17.108 ( 0.000 -2.148 2.855) 3.573 17.166 ( 0.000 -1.968 -1.835) 2.691 17.246 ( 0.000 -1.014 0.610) 1.183 17.253 ( 0.000 1.031 4.152) 4.278 17.278 ( 0.000 -1.518 -1.139) 1.897 17.328 ( 0.000 0.296 -0.277) 0.405 17.409 ( 0.000 0.973 1.429) 1.729 17.417 ( 0.000 -2.271 0.641) 2.360 17.456 ( 0.000 0.126 -1.478) 1.484 17.509 ( 0.000 -0.351 -1.398) 1.442 17.615 ( 0.000 -0.608 -4.065) 4.110 17.632 ( 0.000 1.057 -5.484) 5.585 17.705 ( 0.000 1.806 3.818) 4.223 17.722 ( 0.000 2.883 2.057) 3.542 17.881 ( 0.000 2.387 10.662) 10.926 17.896 ( 0.000 2.245 5.343) 5.795 17.982 ( 0.000 5.281 -0.544) 5.309 18.116 ( 0.000 -1.277 3.743) 3.955 18.137 ( 0.000 -4.071 -9.310) 10.161 18.165 ( 0.000 -3.135 -0.346) 3.155 18.292 ( 0.000 0.435 0.780) 0.894 18.350 ( 0.000 4.957 -4.837) 6.926 18.449 ( 0.000 2.338 8.400) 8.719 18.483 ( 0.000 -8.348 4.715) 9.588 18.564 ( 0.000 -0.785 -2.846) 2.952 18.590 ( 0.000 -10.288 -4.684) 11.304 18.824 ( 0.000 4.395 8.131) 9.243 18.935 ( 0.000 10.341 10.011) 14.393 18.976 ( 0.000 6.367 -2.246) 6.751 19.143 ( 0.000 9.159 -5.934) 10.913 19.238 ( 0.000 1.828 -1.311) 2.249 19.297 ( 0.000 4.116 -6.147) 7.398 19.389 ( 0.000 -4.740 1.855) 5.090 19.436 ( 0.000 -0.636 -0.911) 1.112 19.783 ( 0.000 2.796 4.136) 4.993 19.821 ( 0.000 5.361 0.241) 5.367 20.180 ( 0.000 -3.877 1.825) 4.285 20.197 ( 0.000 -2.817 0.562) 2.873 20.979 ( 0.000 0.273 1.680) 1.702 21.073 ( 0.000 -0.750 -6.691) 6.733 21.328 ( 0.000 -6.859 -0.521) 6.879 21.350 ( 0.000 -6.544 -2.562) 7.028 21.426 ( 0.000 -1.518 2.608) 3.018 21.544 ( 0.000 -0.698 -7.789) 7.820 21.552 ( 0.000 -6.707 4.497) 8.075 21.687 ( 0.000 -4.889 -7.733) 9.149 ======================= Grid point 78 (30/36) ======================= q-point: ( 0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 16.132 17.673 29.596) 38.059 2.337 ( 17.233 17.548 30.890) 39.485 2.906 ( 8.873 10.441 -27.600) 30.814 2.999 ( 11.782 12.244 -28.002) 32.754 3.323 ( 15.577 18.305 41.265) 47.755 3.723 ( -1.244 -13.651 5.447) 14.750 3.768 ( -5.184 -10.139 6.665) 13.194 3.872 ( -0.731 -10.319 -2.149) 10.565 3.958 ( -9.348 -4.419 -4.252) 11.180 4.045 ( -1.911 -3.942 -10.839) 11.691 4.110 ( -1.619 -1.917 -0.700) 2.604 4.152 ( 2.296 0.542 -7.529) 7.890 4.315 ( -4.450 5.263 -4.060) 7.999 4.357 ( -7.995 0.165 -3.085) 8.571 4.371 ( -3.532 -7.926 1.079) 8.744 4.409 ( -6.411 -6.858 -2.434) 9.698 4.521 ( -5.429 -2.411 0.282) 5.947 4.548 ( -8.860 -3.967 -0.734) 9.736 4.772 ( 1.283 2.969 2.434) 4.048 4.838 ( 1.554 1.175 -1.417) 2.409 4.875 ( 3.319 -1.206 0.015) 3.531 4.894 ( 2.234 -0.657 -1.080) 2.567 4.984 ( 2.099 -0.320 4.318) 4.812 5.055 ( -2.121 0.260 -1.567) 2.649 6.007 ( 2.532 5.059 4.743) 7.383 6.040 ( 2.116 2.568 3.273) 4.667 6.112 ( 0.393 4.045 1.375) 4.290 6.158 ( -1.869 4.070 1.591) 4.753 6.325 ( -2.936 1.112 0.367) 3.161 6.355 ( 5.229 3.232 0.462) 6.165 6.469 ( 3.346 -0.151 -4.115) 5.306 6.483 ( -1.995 -0.504 -4.834) 5.254 6.593 ( 3.614 0.412 0.869) 3.740 6.690 ( 2.215 -5.580 -1.874) 6.289 6.753 ( -1.958 -3.919 -1.050) 4.505 6.772 ( 2.041 3.066 -4.999) 6.209 6.936 ( 1.227 -0.877 0.313) 1.540 7.000 ( 7.613 0.447 -1.765) 7.828 7.071 ( 5.518 -1.931 3.344) 6.735 7.177 ( 5.296 -4.095 -1.726) 6.913 7.308 ( -3.357 2.976 7.497) 8.737 7.369 ( -4.755 3.000 0.017) 5.622 7.522 ( -5.076 -3.891 0.160) 6.398 7.585 ( -3.608 0.206 5.047) 6.208 7.626 ( -0.929 -4.185 -1.865) 4.675 7.780 ( 4.191 1.441 4.348) 6.209 7.790 ( -0.597 -0.544 -2.786) 2.901 7.838 ( -0.299 11.353 -2.261) 11.579 7.910 ( 3.259 5.405 3.357) 7.148 7.979 ( 5.969 4.378 -1.210) 7.501 8.055 ( 1.983 4.736 0.011) 5.134 8.130 ( 3.610 2.065 2.144) 4.678 8.223 ( -3.199 2.998 -5.453) 6.997 8.252 ( 2.512 4.523 -6.295) 8.149 8.301 ( 1.951 4.285 3.444) 5.834 8.411 ( -0.659 -2.546 -5.718) 6.294 8.488 ( 2.341 -2.254 2.631) 4.181 8.554 ( -0.801 -4.268 -0.809) 4.417 8.565 ( -2.781 -5.393 4.003) 7.269 8.592 ( -1.397 -1.632 -2.732) 3.476 8.723 ( -0.776 1.311 -1.413) 2.078 8.780 ( -0.752 -2.612 -2.786) 3.892 8.866 ( 0.826 -0.364 2.386) 2.551 8.889 ( -3.705 0.608 1.093) 3.911 8.959 ( -3.804 0.651 -0.137) 3.862 9.028 ( -0.375 2.927 -4.018) 4.985 9.046 ( -2.172 2.010 -0.290) 2.974 9.141 ( -1.230 2.741 -4.953) 5.793 9.188 ( 5.321 -1.889 6.712) 8.772 9.283 ( 3.069 0.586 -1.475) 3.456 9.322 ( 4.452 1.506 2.990) 5.571 9.376 ( 2.431 3.822 0.874) 4.613 9.393 ( 3.035 -2.314 1.844) 4.239 9.452 ( -2.456 -4.064 4.429) 6.493 9.509 ( -1.456 -0.914 2.426) 2.973 9.546 ( 3.170 0.995 -1.737) 3.749 9.564 ( -0.219 4.404 -1.767) 4.750 9.624 ( -1.701 -5.215 -2.829) 6.172 9.660 ( 2.443 -6.285 4.933) 8.356 9.730 ( -3.512 -1.415 5.323) 6.533 9.814 ( 2.039 -1.467 -0.720) 2.613 9.842 ( -1.476 0.594 2.333) 2.824 9.852 ( -4.114 -3.116 -0.370) 5.174 9.986 ( -2.123 3.033 1.713) 4.079 10.030 ( -5.074 0.270 -2.009) 5.464 10.054 ( -9.119 -3.424 1.543) 9.862 10.116 ( -2.130 0.146 -3.678) 4.253 10.203 ( -0.893 0.249 -3.153) 3.286 10.273 ( -1.141 -5.040 1.119) 5.287 10.281 ( -0.835 -2.157 5.028) 5.534 10.294 ( -0.591 -3.504 -0.987) 3.688 10.413 ( -0.697 -0.706 -3.645) 3.777 10.476 ( -3.014 -2.350 1.700) 4.183 10.511 ( 2.361 -6.360 -0.433) 6.798 10.587 ( -0.575 -1.084 -0.796) 1.463 10.614 ( 4.093 -3.650 -2.913) 6.210 10.716 ( 5.187 -5.986 5.207) 9.479 10.760 ( 2.263 -4.856 1.056) 5.461 10.840 ( 1.976 0.982 2.544) 3.368 10.896 ( -0.525 -2.666 -1.719) 3.215 10.910 ( 4.886 -1.754 -2.026) 5.573 10.958 ( 2.350 2.769 -0.372) 3.651 10.993 ( 1.305 1.462 -5.296) 5.647 11.056 ( 2.615 -0.771 -4.951) 5.652 11.117 ( -1.335 0.659 3.205) 3.534 11.209 ( 1.975 0.020 4.422) 4.843 11.280 ( -2.257 6.681 -4.318) 8.269 11.338 ( 3.378 1.636 -2.385) 4.447 11.478 ( -2.065 -0.155 0.275) 2.089 11.505 ( -0.397 5.986 -2.542) 6.515 11.541 ( -1.473 5.423 0.030) 5.619 11.569 ( -3.642 4.429 -1.956) 6.058 11.692 ( -1.715 4.304 3.340) 5.711 11.748 ( -3.212 5.648 -0.142) 6.499 11.786 ( -4.165 -0.854 -1.538) 4.522 11.868 ( -5.374 2.512 -4.978) 7.744 11.962 ( 1.490 -0.961 2.056) 2.715 11.997 ( -4.852 -1.884 1.303) 5.365 12.087 ( -1.208 -3.873 -0.410) 4.077 12.156 ( 0.401 -0.304 -3.044) 3.085 12.264 ( -5.383 -1.227 1.998) 5.871 12.316 ( -6.793 -0.221 -1.510) 6.962 12.330 ( -2.639 3.582 0.755) 4.513 12.384 ( -3.725 4.092 -1.537) 5.743 12.442 ( 0.756 -0.155 2.799) 2.903 12.505 ( 0.499 -1.743 2.399) 3.007 12.550 ( 1.168 -1.968 -1.104) 2.541 12.635 ( 4.863 -0.553 -3.825) 6.212 12.766 ( -1.345 0.974 1.362) 2.148 12.785 ( -2.905 0.595 0.176) 2.971 12.821 ( 0.329 0.329 1.847) 1.905 12.841 ( 1.185 1.470 0.253) 1.905 12.898 ( 1.803 0.711 1.780) 2.631 12.900 ( -0.492 0.301 2.564) 2.628 12.949 ( 1.090 0.433 -1.418) 1.840 12.959 ( 1.473 0.746 1.967) 2.568 13.004 ( 1.511 -1.258 1.854) 2.702 13.052 ( -0.039 -1.712 -0.247) 1.730 13.091 ( -1.647 -1.036 -0.525) 2.016 13.117 ( -0.265 -3.833 -3.531) 5.219 13.280 ( 2.289 -1.256 -0.787) 2.727 13.310 ( 4.647 -6.102 -2.690) 8.128 13.373 ( 2.018 -0.904 1.166) 2.500 13.398 ( 2.896 -1.859 -0.575) 3.489 13.555 ( -1.270 4.439 1.547) 4.869 13.586 ( -0.987 4.376 2.404) 5.089 13.645 ( -1.690 -1.840 -3.347) 4.177 13.692 ( 0.645 3.968 -4.747) 6.221 13.840 ( -3.420 -2.398 2.279) 4.758 13.908 ( -2.001 -1.673 -3.062) 4.022 13.986 ( -3.450 -2.422 2.564) 4.934 14.042 ( -1.363 -0.896 -0.404) 1.681 14.068 ( -0.520 -1.309 0.480) 1.488 14.122 ( -0.164 -0.873 -2.124) 2.302 14.247 ( 7.333 -5.967 0.802) 9.488 14.292 ( 4.124 -2.600 -2.685) 5.565 14.423 ( 1.408 2.250 4.557) 5.274 14.518 ( -0.868 3.625 1.965) 4.214 14.556 ( 0.958 5.459 -4.068) 6.875 14.610 ( 2.039 7.033 -3.729) 8.217 14.734 ( 1.578 3.155 3.662) 5.085 14.828 ( 2.771 5.612 0.957) 6.332 14.855 ( 1.915 1.765 -3.159) 4.094 14.924 ( 1.184 5.633 -3.628) 6.804 15.153 ( -4.717 -0.854 5.628) 7.393 15.250 ( -2.095 -1.646 -2.327) 3.538 15.383 ( -0.241 -4.279 5.649) 7.091 15.456 ( 4.996 -2.325 0.015) 5.510 15.468 ( 2.929 -1.106 -0.917) 3.262 15.487 ( 1.690 -0.839 -1.488) 2.403 15.583 ( 3.940 0.262 1.534) 4.236 15.671 ( -0.120 -1.173 -5.704) 5.824 15.829 ( 0.507 -5.123 3.206) 6.064 15.887 ( -2.524 -3.903 0.489) 4.674 15.968 ( 2.888 -5.354 3.472) 7.004 15.979 ( 0.284 -2.732 2.314) 3.591 16.078 ( 3.609 1.669 5.440) 6.739 16.096 ( 3.109 -4.772 3.701) 6.792 16.170 ( 1.314 2.927 -4.430) 5.470 16.180 ( 1.445 5.439 -3.573) 6.666 16.314 ( -2.273 -1.525 1.129) 2.960 16.354 ( -2.588 1.784 1.093) 3.328 16.392 ( -0.298 2.543 -2.563) 3.623 16.464 ( -1.006 4.882 -5.231) 7.225 16.492 ( 2.330 4.860 -2.107) 5.787 16.510 ( 2.337 2.466 -4.069) 5.301 16.715 ( -1.238 0.595 2.533) 2.881 16.730 ( -5.263 1.959 -0.666) 5.655 16.841 ( 0.910 -0.306 0.668) 1.170 16.850 ( -2.752 -1.029 4.378) 5.273 16.891 ( 1.138 -1.462 -1.612) 2.456 16.997 ( -4.434 -0.435 -3.495) 5.663 17.043 ( -3.918 0.795 1.507) 4.273 17.071 ( -2.507 -1.341 2.994) 4.129 17.105 ( 0.686 -4.760 3.100) 5.722 17.165 ( -0.311 -2.449 -1.632) 2.960 17.230 ( -1.119 -1.257 -0.543) 1.768 17.255 ( -1.252 1.282 3.815) 4.215 17.267 ( 1.173 -0.408 -3.045) 3.288 17.358 ( -0.095 -0.486 -2.674) 2.719 17.413 ( 1.684 0.100 4.520) 4.825 17.472 ( 3.669 0.165 -0.742) 3.746 17.508 ( 0.214 -0.896 2.485) 2.650 17.553 ( 6.468 -3.618 0.028) 7.411 17.619 ( 1.558 -0.091 -3.297) 3.648 17.647 ( 3.787 0.443 -5.664) 6.828 17.745 ( 3.499 0.335 4.112) 5.410 17.783 ( 5.662 2.699 1.581) 6.469 17.838 ( -4.352 -1.544 7.836) 9.096 17.903 ( 1.479 8.149 3.319) 8.923 17.964 ( -2.175 4.546 -0.398) 5.055 18.039 ( -3.532 2.330 -3.662) 5.596 18.160 ( 1.349 -3.195 2.971) 4.567 18.229 ( 3.369 -4.574 -2.036) 6.035 18.347 ( 1.584 -1.434 0.292) 2.157 18.376 ( -0.458 3.111 -1.549) 3.505 18.409 ( -1.552 -3.531 3.110) 4.954 18.457 ( 0.594 -0.588 0.347) 0.905 18.514 ( 2.703 -1.701 5.928) 6.734 18.674 ( 2.570 -1.413 -6.165) 6.827 18.769 ( -4.151 4.431 9.538) 11.306 18.945 ( -0.656 4.772 -2.660) 5.503 19.064 ( 4.626 5.903 5.512) 9.308 19.143 ( -4.515 2.598 2.209) 5.658 19.176 ( 2.256 7.655 -3.787) 8.834 19.261 ( -0.816 2.594 -6.226) 6.794 19.460 ( 4.441 -3.228 1.143) 5.607 19.494 ( 4.242 -1.688 -1.300) 4.747 19.789 ( 1.100 3.599 3.902) 5.421 19.832 ( 1.765 5.142 -0.427) 5.453 20.162 ( -2.188 -3.407 1.307) 4.255 20.166 ( -3.104 -2.520 0.989) 4.119 20.986 ( 1.096 -0.056 1.113) 1.563 21.064 ( -0.465 -0.861 -5.766) 5.848 21.305 ( -2.327 -6.702 -0.501) 7.112 21.327 ( -2.307 -6.559 -2.703) 7.459 21.384 ( -4.194 -1.761 1.894) 4.927 21.484 ( -6.090 -3.165 -1.603) 7.048 21.492 ( -6.041 -3.258 -1.939) 7.132 21.611 ( -7.514 -4.339 -7.448) 11.435 ======================= Grid point 79 (31/36) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 22.501 12.922 24.697) 35.822 2.737 ( 23.875 10.752 23.527) 35.201 3.142 ( 15.619 6.278 -20.782) 26.744 3.237 ( 11.749 7.453 -18.209) 22.916 3.503 ( -17.035 1.328 5.656) 17.998 3.614 ( -3.478 6.288 7.754) 10.571 3.633 ( -8.570 2.958 7.987) 12.083 3.749 ( -4.857 -2.863 -2.274) 6.079 3.909 ( 3.661 -6.584 5.158) 9.130 4.007 ( -0.558 -4.557 0.302) 4.601 4.111 ( 0.806 -2.022 -0.421) 2.217 4.170 ( 1.525 -7.700 -1.236) 7.946 4.198 ( -5.126 -11.850 -0.880) 12.941 4.235 ( -2.196 -7.128 -7.217) 10.379 4.294 ( -6.251 -4.393 2.709) 8.107 4.345 ( -0.587 -8.197 -1.815) 8.416 4.375 ( -9.271 -7.148 -1.442) 11.795 4.540 ( 9.587 7.402 -11.603) 16.773 4.810 ( -0.710 2.913 2.411) 3.847 4.842 ( 1.140 5.644 -0.426) 5.774 4.902 ( -1.758 0.397 2.746) 3.285 4.943 ( -7.446 3.427 1.026) 8.261 4.952 ( 1.178 0.303 1.408) 1.861 4.997 ( -0.811 1.377 -0.755) 1.768 6.054 ( 2.050 2.026 3.599) 4.611 6.089 ( 2.117 3.333 1.067) 4.090 6.095 ( -0.832 2.682 3.014) 4.120 6.132 ( -1.232 3.554 0.778) 3.841 6.299 ( 0.834 0.684 1.763) 2.067 6.425 ( 0.099 -0.342 -0.069) 0.362 6.447 ( -0.170 -1.557 -6.854) 7.031 6.535 ( 2.339 -0.364 -4.547) 5.126 6.671 ( 2.327 2.537 1.110) 3.617 6.678 ( -1.551 -5.717 -0.494) 5.945 6.724 ( -0.342 -3.028 -2.366) 3.858 6.771 ( -1.125 2.662 -4.506) 5.353 7.012 ( 6.419 1.599 5.636) 8.690 7.150 ( 5.474 -0.904 -4.646) 7.237 7.168 ( 2.018 2.044 7.847) 8.356 7.253 ( -0.681 6.507 0.869) 6.600 7.332 ( 6.136 0.431 -1.599) 6.356 7.348 ( 6.193 2.012 -1.117) 6.606 7.468 ( 0.803 -0.840 1.520) 1.913 7.499 ( -1.845 2.172 -0.490) 2.892 7.562 ( -4.685 -1.331 -1.639) 5.139 7.665 ( -8.241 2.238 -6.879) 10.965 7.868 ( 0.564 1.814 5.880) 6.179 7.877 ( -2.056 4.169 7.149) 8.527 8.029 ( 6.469 5.546 -0.160) 8.523 8.072 ( 1.971 4.064 2.080) 4.973 8.102 ( 6.752 3.147 5.399) 9.200 8.140 ( 1.420 7.932 0.212) 8.061 8.220 ( 2.940 2.020 2.111) 4.145 8.300 ( 3.074 -0.243 -0.217) 3.091 8.327 ( -1.390 0.368 0.939) 1.717 8.364 ( -1.125 0.864 -1.065) 1.774 8.503 ( -3.102 -0.046 5.687) 6.478 8.542 ( -1.932 3.972 1.090) 4.549 8.574 ( 0.399 -6.506 2.209) 6.882 8.621 ( 7.294 -1.973 -5.825) 9.541 8.698 ( -1.721 1.228 -3.882) 4.420 8.736 ( -2.963 -1.510 -1.508) 3.651 8.813 ( -4.761 1.208 -2.585) 5.550 8.827 ( -5.477 1.634 -4.426) 7.229 8.919 ( 2.081 -1.166 -1.708) 2.934 8.966 ( -3.114 -0.208 -5.362) 6.204 9.024 ( -1.204 2.271 -0.700) 2.664 9.091 ( -4.665 -0.014 -4.583) 6.540 9.273 ( 2.123 -2.214 8.129) 8.688 9.317 ( 1.807 0.094 4.627) 4.968 9.386 ( -0.290 0.528 3.707) 3.756 9.405 ( 2.704 -0.311 3.725) 4.614 9.455 ( 1.771 0.346 3.859) 4.260 9.479 ( 4.234 -4.286 -0.405) 6.038 9.515 ( -0.895 -2.132 -1.833) 2.950 9.580 ( 4.353 -1.688 3.761) 5.995 9.614 ( 3.023 -4.248 -2.897) 5.965 9.641 ( -3.302 -0.150 3.607) 4.892 9.670 ( 6.331 -3.188 1.599) 7.267 9.724 ( 5.091 0.125 -0.234) 5.098 9.773 ( -3.510 0.235 -0.743) 3.596 9.810 ( -0.676 -1.110 1.743) 2.175 9.833 ( -2.430 1.715 -3.328) 4.463 9.893 ( -6.117 -0.532 1.512) 6.324 9.949 ( -2.436 -1.581 -2.267) 3.684 9.964 ( -0.313 -2.300 -8.390) 8.705 10.103 ( -2.033 0.504 0.809) 2.246 10.133 ( -8.969 1.137 2.858) 9.482 10.192 ( -0.542 -2.321 -2.975) 3.812 10.241 ( -4.974 -5.705 0.801) 7.611 10.275 ( -1.388 -9.714 -3.637) 10.465 10.338 ( -6.249 0.386 -5.602) 8.401 10.445 ( -0.574 -5.603 2.311) 6.088 10.494 ( -1.059 -5.555 -1.348) 5.814 10.596 ( -0.878 -4.046 -0.942) 4.246 10.623 ( -3.891 -4.255 -4.795) 7.499 10.838 ( 6.707 -2.058 4.458) 8.312 10.841 ( 5.413 -1.436 3.543) 6.627 10.896 ( 6.403 -2.382 4.485) 8.172 10.930 ( 4.843 1.153 3.077) 5.853 10.996 ( 1.998 1.362 -3.481) 4.238 11.018 ( 1.241 1.318 0.798) 1.979 11.037 ( 3.507 1.792 -2.246) 4.534 11.101 ( 3.168 -0.287 0.100) 3.183 11.110 ( -2.093 3.579 -2.821) 5.015 11.182 ( 0.420 0.959 -6.207) 6.295 11.309 ( 4.131 -1.663 5.645) 7.190 11.389 ( -0.787 1.866 0.251) 2.041 11.421 ( -3.883 -0.941 3.399) 5.246 11.495 ( -1.471 -0.899 -2.721) 3.221 11.544 ( 2.540 3.372 -1.546) 4.496 11.549 ( 1.352 2.517 -0.544) 2.908 11.629 ( -4.020 0.412 0.007) 4.041 11.656 ( -4.415 1.503 -0.955) 4.760 11.746 ( -2.241 5.988 -1.069) 6.483 11.768 ( -5.825 2.628 -1.996) 6.694 11.852 ( -4.727 -0.093 0.560) 4.761 11.920 ( -5.064 -3.686 -4.322) 7.610 12.047 ( -6.994 0.084 5.523) 8.912 12.119 ( -5.518 -0.539 -0.348) 5.555 12.172 ( 0.017 4.790 0.840) 4.863 12.243 ( -0.988 1.103 -4.128) 4.385 12.280 ( -1.927 3.747 -0.763) 4.282 12.304 ( -4.440 4.960 -1.656) 6.860 12.493 ( 4.032 -2.585 1.561) 5.038 12.532 ( 1.951 -2.589 -0.941) 3.376 12.574 ( 1.356 -2.196 2.479) 3.578 12.653 ( -2.412 -2.515 -3.454) 4.906 12.749 ( -0.361 2.599 1.656) 3.103 12.755 ( 0.751 2.645 1.314) 3.047 12.841 ( 1.575 -1.809 2.212) 3.262 12.857 ( -3.696 1.567 1.432) 4.262 12.875 ( 0.786 0.860 0.833) 1.432 12.909 ( 0.005 3.198 -1.676) 3.610 12.961 ( -3.061 2.671 3.554) 5.397 12.999 ( -2.697 0.804 0.373) 2.839 13.027 ( 5.808 -1.059 0.529) 5.927 13.059 ( 4.597 -0.544 -0.654) 4.675 13.124 ( 4.200 -3.279 0.423) 5.345 13.174 ( 5.349 -2.610 -3.920) 7.127 13.309 ( 1.168 -2.230 1.665) 3.019 13.371 ( 2.293 -3.988 -2.832) 5.403 13.413 ( 0.236 -1.073 3.485) 3.654 13.450 ( 3.259 -3.422 0.062) 4.726 13.544 ( -2.218 3.338 -1.055) 4.144 13.555 ( -0.085 2.997 -1.540) 3.370 13.593 ( -3.795 -1.660 0.267) 4.151 13.666 ( -3.857 1.773 -5.102) 6.637 13.806 ( 1.082 -0.686 2.392) 2.714 13.877 ( -1.117 -1.794 -3.522) 4.107 13.926 ( -2.429 -2.237 1.523) 3.636 13.978 ( -4.739 -1.787 -2.771) 5.773 14.110 ( 3.915 2.152 2.691) 5.215 14.139 ( 2.667 2.772 0.335) 3.861 14.303 ( -3.191 4.857 2.390) 6.284 14.329 ( -2.059 2.744 0.253) 3.440 14.460 ( 4.113 -1.045 2.159) 4.761 14.524 ( 3.098 -3.751 -1.188) 5.008 14.573 ( 0.009 1.046 -1.358) 1.714 14.622 ( -0.291 2.330 -3.552) 4.258 14.778 ( 3.147 2.786 2.946) 5.133 14.853 ( 1.602 2.938 -2.095) 3.948 14.904 ( -0.164 1.955 -1.194) 2.297 14.935 ( -0.222 2.266 -2.138) 3.124 15.114 ( 1.479 -1.373 5.442) 5.804 15.238 ( 0.656 -2.910 -3.255) 4.415 15.324 ( -4.358 -3.225 2.394) 5.926 15.414 ( -4.689 -3.838 -4.151) 7.345 15.614 ( 7.278 1.559 0.797) 7.486 15.641 ( 10.801 -0.975 0.188) 10.847 15.673 ( 7.024 -0.047 0.473) 7.040 15.698 ( 3.622 -0.467 -2.322) 4.328 15.807 ( -2.585 -2.732 1.551) 4.069 15.842 ( -1.784 -0.688 -1.056) 2.184 15.975 ( -2.256 -0.868 3.465) 4.225 16.019 ( 0.450 -4.305 2.421) 4.959 16.127 ( 0.874 -0.942 4.617) 4.793 16.152 ( 2.237 -0.070 -0.689) 2.341 16.163 ( -0.889 -0.754 1.209) 1.679 16.228 ( 2.736 1.872 -2.853) 4.374 16.260 ( -2.204 -0.276 0.940) 2.411 16.326 ( -0.012 0.476 -1.955) 2.012 16.398 ( -0.209 -0.947 -2.099) 2.312 16.435 ( -1.060 6.070 -1.285) 6.295 16.529 ( 1.672 5.210 -2.508) 6.020 16.554 ( 2.662 2.389 -4.778) 5.968 16.641 ( -3.897 1.458 0.621) 4.207 16.672 ( -3.177 -0.244 -1.581) 3.557 16.801 ( -1.579 -0.560 4.667) 4.958 16.869 ( -0.891 -1.484 0.091) 1.734 16.877 ( -0.686 -0.109 -0.751) 1.023 16.921 ( -3.336 0.498 -3.803) 5.083 17.017 ( 1.697 1.678 4.901) 5.452 17.045 ( 0.289 -1.347 3.401) 3.670 17.120 ( 0.110 -3.550 2.055) 4.103 17.170 ( 0.822 -1.887 -0.450) 2.107 17.199 ( -2.088 -0.370 1.553) 2.628 17.236 ( -0.402 -0.935 0.904) 1.361 17.272 ( -1.235 -0.819 -2.865) 3.226 17.306 ( -4.128 -2.917 -2.663) 5.713 17.460 ( 2.814 0.849 4.439) 5.324 17.496 ( -0.154 -0.081 3.329) 3.333 17.563 ( 5.782 1.269 -0.621) 5.952 17.644 ( 4.422 -2.702 -3.068) 6.022 17.653 ( -0.085 -1.901 -0.873) 2.094 17.702 ( -1.176 -2.650 -1.918) 3.477 17.786 ( -0.854 -2.930 4.074) 5.090 17.824 ( 1.484 -2.578 2.307) 3.764 17.895 ( 2.778 5.157 3.329) 6.738 17.921 ( 6.042 2.310 -1.764) 6.705 17.959 ( 4.660 7.718 1.650) 9.165 18.039 ( 2.954 10.804 -2.439) 11.463 18.158 ( -2.055 -1.193 4.947) 5.488 18.223 ( -2.901 -3.436 1.297) 4.680 18.245 ( -7.272 -2.106 4.084) 8.602 18.363 ( -3.388 0.417 -5.005) 6.059 18.472 ( 5.374 0.957 5.197) 7.537 18.544 ( 6.913 -0.712 -1.685) 7.151 18.624 ( 6.663 2.569 3.000) 7.746 18.688 ( -2.012 3.088 7.156) 8.049 18.733 ( 4.564 0.778 -3.120) 5.583 18.882 ( -5.601 2.035 -7.521) 9.596 18.971 ( -8.139 -0.481 6.674) 10.536 19.070 ( -7.253 3.310 -1.960) 8.210 19.294 ( 8.920 5.122 2.266) 10.532 19.355 ( 7.797 2.547 -2.384) 8.542 19.508 ( 0.372 -1.335 0.801) 1.601 19.523 ( -1.666 -0.002 -0.415) 1.717 19.846 ( 5.230 2.982 3.264) 6.848 19.904 ( 5.772 2.530 -2.217) 6.681 20.078 ( -5.846 -1.267 1.936) 6.287 20.108 ( -4.016 -2.485 -0.789) 4.788 21.034 ( 4.457 -1.004 0.097) 4.570 21.081 ( 2.822 -1.233 -3.819) 4.906 21.250 ( -3.846 -4.610 0.580) 6.032 21.275 ( -2.808 -5.259 -1.964) 6.277 21.297 ( -4.582 -4.218 -0.234) 6.232 21.352 ( -8.126 -1.939 -3.454) 9.040 21.361 ( -5.759 -3.002 -1.707) 6.715 21.451 ( -8.709 -4.270 -7.310) 12.145 ======================= Grid point 80 (32/36) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -21.901 6.541 19.101) 29.787 3.052 ( 21.901 6.541 19.101) 29.787 3.183 ( -21.408 8.442 16.740) 28.457 3.183 ( 21.408 8.442 16.740) 28.457 3.475 ( -9.074 1.649 -17.464) 19.750 3.475 ( 9.074 1.649 -17.464) 19.750 3.546 ( -7.721 3.922 -15.846) 18.058 3.546 ( 7.721 3.922 -15.846) 18.058 4.034 ( -2.772 -9.805 6.393) 12.029 4.034 ( 2.772 -9.805 6.393) 12.029 4.143 ( -3.584 -7.727 -1.751) 8.696 4.143 ( 3.584 -7.727 -1.751) 8.696 4.188 ( -6.809 -6.469 -0.123) 9.392 4.188 ( 6.809 -6.469 -0.123) 9.392 4.235 ( -1.838 -12.449 -5.109) 13.582 4.235 ( 1.838 -12.449 -5.109) 13.582 4.567 ( -19.718 5.311 10.001) 22.738 4.567 ( 19.718 5.311 10.001) 22.738 4.755 ( -10.217 6.218 -5.490) 13.160 4.755 ( 10.217 6.218 -5.490) 13.160 4.901 ( -0.212 2.079 3.880) 4.407 4.901 ( 0.212 2.079 3.880) 4.407 4.971 ( -1.289 3.656 -2.544) 4.637 4.971 ( 1.289 3.656 -2.544) 4.637 6.078 ( -0.846 1.791 2.879) 3.495 6.078 ( 0.846 1.791 2.879) 3.495 6.116 ( -0.755 2.920 0.187) 3.022 6.116 ( 0.755 2.920 0.187) 3.022 6.356 ( -4.571 -1.040 3.000) 5.566 6.356 ( 4.571 -1.040 3.000) 5.566 6.505 ( -4.048 -2.315 -7.626) 8.939 6.505 ( 4.048 -2.315 -7.626) 8.939 6.677 ( -1.384 -0.097 1.542) 2.075 6.677 ( 1.384 -0.097 1.542) 2.075 6.744 ( -1.918 1.536 -4.049) 4.736 6.744 ( 1.918 1.536 -4.049) 4.736 7.122 ( -4.786 0.814 5.965) 7.691 7.122 ( 4.786 0.814 5.965) 7.691 7.242 ( -2.758 2.565 -2.628) 4.593 7.242 ( 2.758 2.565 -2.628) 4.593 7.365 ( -3.014 -2.158 2.058) 4.240 7.365 ( 3.014 -2.158 2.058) 4.240 7.488 ( -5.286 2.965 -7.394) 9.561 7.488 ( 5.286 2.965 -7.394) 9.561 7.697 ( -9.795 6.256 2.135) 11.817 7.697 ( 9.795 6.256 2.135) 11.817 7.708 ( -12.998 6.455 0.898) 14.541 7.708 ( 12.998 6.455 0.898) 14.541 8.139 ( -5.613 -0.452 7.542) 9.412 8.139 ( 5.613 -0.452 7.542) 9.412 8.163 ( -2.418 0.257 4.758) 5.343 8.163 ( 2.418 0.257 4.758) 5.343 8.297 ( -3.006 3.152 2.439) 4.992 8.297 ( 3.006 3.152 2.439) 4.992 8.343 ( -3.280 4.278 1.212) 5.525 8.343 ( 3.280 4.278 1.212) 5.525 8.465 ( -1.495 3.400 3.528) 5.123 8.465 ( 1.495 3.400 3.528) 5.123 8.624 ( -3.795 -1.777 0.347) 4.204 8.624 ( 3.795 -1.777 0.347) 4.204 8.719 ( -0.035 -0.023 -6.405) 6.405 8.719 ( 0.035 -0.023 -6.405) 6.405 8.756 ( -2.652 1.198 -5.276) 6.025 8.756 ( 2.652 1.198 -5.276) 6.025 8.971 ( -2.223 -2.619 -4.877) 5.966 8.971 ( 2.223 -2.619 -4.877) 5.966 8.997 ( -3.899 -0.707 -4.386) 5.911 8.997 ( 3.899 -0.707 -4.386) 5.911 9.312 ( -2.350 -0.892 9.572) 9.897 9.312 ( 2.350 -0.892 9.572) 9.897 9.408 ( -4.108 -1.551 0.758) 4.455 9.408 ( 4.108 -1.551 0.758) 4.455 9.459 ( -2.021 -1.293 5.001) 5.546 9.459 ( 2.021 -1.293 5.001) 5.546 9.585 ( -2.011 -1.254 4.726) 5.287 9.585 ( 2.011 -1.254 4.726) 5.287 9.656 ( -4.361 -3.557 0.285) 5.635 9.656 ( 4.361 -3.557 0.285) 5.635 9.727 ( -2.283 0.243 -4.274) 4.851 9.727 ( 2.283 0.243 -4.274) 4.851 9.778 ( -4.126 -3.743 0.711) 5.616 9.778 ( 4.126 -3.743 0.711) 5.616 9.874 ( -5.575 -2.051 -4.408) 7.397 9.874 ( 5.575 -2.051 -4.408) 7.397 9.962 ( -9.445 5.082 -1.027) 10.774 9.962 ( 9.445 5.082 -1.027) 10.774 9.996 ( -5.253 -0.295 -4.562) 6.963 9.996 ( 5.253 -0.295 -4.562) 6.963 10.202 ( -1.355 -6.383 0.552) 6.549 10.202 ( 1.355 -6.383 0.552) 6.549 10.257 ( -1.138 -5.686 -3.394) 6.719 10.257 ( 1.138 -5.686 -3.394) 6.719 10.467 ( -2.372 -5.643 2.128) 6.480 10.467 ( 2.372 -5.643 2.128) 6.480 10.568 ( -0.527 -4.559 -5.366) 7.060 10.568 ( 0.527 -4.559 -5.366) 7.060 10.927 ( -2.501 0.966 5.672) 6.274 10.927 ( 2.501 0.966 5.672) 6.274 10.969 ( -6.495 1.950 3.766) 7.757 10.969 ( 6.495 1.950 3.766) 7.757 11.022 ( -1.489 2.362 -2.214) 3.564 11.022 ( 1.489 2.362 -2.214) 3.564 11.057 ( -3.409 3.575 -3.067) 5.815 11.057 ( 3.409 3.575 -3.067) 5.815 11.205 ( -10.700 -2.863 4.739) 12.047 11.205 ( 10.700 -2.863 4.739) 12.047 11.309 ( -5.467 -5.720 -4.854) 9.283 11.309 ( 5.467 -5.720 -4.854) 9.283 11.458 ( -4.863 1.569 3.251) 6.057 11.458 ( 4.863 1.569 3.251) 6.057 11.558 ( -0.938 -0.623 -5.808) 5.916 11.558 ( 0.938 -0.623 -5.808) 5.916 11.628 ( -2.804 0.253 2.870) 4.020 11.628 ( 2.804 0.253 2.870) 4.020 11.679 ( -3.865 3.613 -0.565) 5.321 11.679 ( 3.865 3.613 -0.565) 5.321 11.874 ( -7.916 2.464 3.005) 8.818 11.874 ( 7.916 2.464 3.005) 8.818 11.978 ( -8.198 1.626 -5.222) 9.855 11.978 ( 8.198 1.626 -5.222) 9.855 12.226 ( -3.881 4.384 0.796) 5.909 12.226 ( 3.881 4.384 0.796) 5.909 12.253 ( -1.267 2.161 -2.173) 3.316 12.253 ( 1.267 2.161 -2.173) 3.316 12.564 ( -0.843 -2.992 0.779) 3.204 12.564 ( 0.843 -2.992 0.779) 3.204 12.586 ( -2.804 -2.889 -1.120) 4.179 12.586 ( 2.804 -2.889 -1.120) 4.179 12.770 ( -1.926 2.755 3.561) 4.897 12.770 ( 1.926 2.755 3.561) 4.897 12.823 ( -2.720 2.156 -1.281) 3.700 12.823 ( 2.720 2.156 -1.281) 3.700 12.890 ( -3.293 0.333 3.165) 4.580 12.890 ( 3.293 0.333 3.165) 4.580 12.950 ( -2.705 2.075 -1.518) 3.732 12.950 ( 2.705 2.075 -1.518) 3.732 13.110 ( -1.409 -2.689 2.916) 4.210 13.110 ( 1.409 -2.689 2.916) 4.210 13.201 ( -2.886 -0.925 -3.844) 4.895 13.201 ( 2.886 -0.925 -3.844) 4.895 13.360 ( -4.475 -2.857 4.565) 7.002 13.360 ( 4.475 -2.857 4.565) 7.002 13.446 ( -5.906 -2.248 -2.798) 6.911 13.446 ( 5.906 -2.248 -2.798) 6.911 13.521 ( -3.262 0.503 1.468) 3.612 13.521 ( 3.262 0.503 1.468) 3.612 13.596 ( -3.097 2.513 -4.489) 6.005 13.596 ( 3.097 2.513 -4.489) 6.005 13.860 ( -2.863 -2.990 0.710) 4.200 13.860 ( 2.863 -2.990 0.710) 4.200 13.901 ( -1.202 -1.887 -2.610) 3.437 13.901 ( 1.202 -1.887 -2.610) 3.437 14.203 ( -4.292 5.682 2.639) 7.594 14.203 ( 4.292 5.682 2.639) 7.594 14.231 ( -4.857 6.093 0.760) 7.829 14.231 ( 4.857 6.093 0.760) 7.829 14.539 ( -3.326 -2.912 1.460) 4.655 14.539 ( 3.326 -2.912 1.460) 4.655 14.598 ( -2.848 -0.921 -2.176) 3.700 14.598 ( 2.848 -0.921 -2.176) 3.700 14.842 ( -3.671 2.771 1.291) 4.778 14.842 ( 3.671 2.771 1.291) 4.778 14.907 ( -2.403 0.326 -3.391) 4.169 14.907 ( 2.403 0.326 -3.391) 4.169 15.193 ( -5.517 -2.519 5.033) 7.881 15.193 ( 5.517 -2.519 5.033) 7.881 15.323 ( -4.347 -2.775 -5.842) 7.793 15.323 ( 4.347 -2.775 -5.842) 7.793 15.709 ( -3.769 0.691 2.113) 4.376 15.709 ( 3.769 0.691 2.113) 4.376 15.754 ( -3.868 -0.360 -1.402) 4.130 15.754 ( 3.868 -0.360 -1.402) 4.130 15.860 ( -9.520 -1.971 2.054) 9.937 15.860 ( 9.520 -1.971 2.054) 9.937 15.918 ( -9.396 0.051 -2.264) 9.665 15.918 ( 9.396 0.051 -2.264) 9.665 16.139 ( -1.788 -2.267 3.895) 4.848 16.139 ( 1.788 -2.267 3.895) 4.848 16.213 ( -2.887 0.077 -1.926) 3.471 16.213 ( 2.887 0.077 -1.926) 3.471 16.294 ( -4.147 1.945 2.631) 5.282 16.294 ( 4.147 1.945 2.631) 5.282 16.415 ( -2.368 1.198 -4.015) 4.813 16.415 ( 2.368 1.198 -4.015) 4.813 16.574 ( -3.569 1.820 -0.885) 4.103 16.574 ( 3.569 1.820 -0.885) 4.103 16.610 ( -3.149 1.716 -2.929) 4.630 16.610 ( 3.149 1.716 -2.929) 4.630 16.811 ( -2.591 -0.094 2.725) 3.762 16.811 ( 2.591 -0.094 2.725) 3.762 16.889 ( -0.619 -0.324 -3.022) 3.101 16.889 ( 0.619 -0.324 -3.022) 3.101 17.052 ( -1.667 -0.831 6.318) 6.587 17.052 ( 1.667 -0.831 6.318) 6.587 17.139 ( -3.436 0.101 1.054) 3.596 17.139 ( 3.436 0.101 1.054) 3.596 17.214 ( -2.993 -2.412 1.715) 4.209 17.214 ( 2.993 -2.412 1.715) 4.209 17.254 ( -1.715 -2.635 -4.163) 5.217 17.254 ( 1.715 -2.635 -4.163) 5.217 17.497 ( -0.740 1.792 5.005) 5.368 17.497 ( 0.740 1.792 5.005) 5.368 17.632 ( -0.970 -2.957 -5.104) 5.978 17.632 ( 0.970 -2.957 -5.104) 5.978 17.713 ( -3.231 -1.064 2.911) 4.477 17.713 ( 3.231 -1.064 2.911) 4.477 17.750 ( -3.903 -1.335 -0.736) 4.190 17.750 ( 3.903 -1.335 -0.736) 4.190 18.013 ( -3.991 4.469 2.667) 6.559 18.013 ( 3.991 4.469 2.667) 6.559 18.047 ( -2.070 2.455 0.857) 3.323 18.047 ( 2.070 2.455 0.857) 3.323 18.128 ( -2.811 2.521 5.102) 6.347 18.128 ( 2.811 2.521 5.102) 6.347 18.246 ( -6.834 2.207 -3.672) 8.066 18.246 ( 6.834 2.207 -3.672) 8.066 18.569 ( -4.761 2.007 6.239) 8.101 18.569 ( 4.761 2.007 6.239) 8.101 18.707 ( -7.112 0.875 -4.678) 8.557 18.707 ( 7.112 0.875 -4.678) 8.557 18.815 ( -8.234 -0.783 4.617) 9.472 18.815 ( 8.234 -0.783 4.617) 9.472 18.909 ( -9.175 0.920 -2.798) 9.636 18.909 ( 9.175 0.920 -2.798) 9.636 19.440 ( -6.138 2.879 2.025) 7.075 19.440 ( 6.138 2.879 2.025) 7.075 19.474 ( -3.981 1.237 -1.088) 4.308 19.474 ( 3.981 1.237 -1.088) 4.308 19.960 ( -6.543 0.605 2.561) 7.052 19.960 ( 6.543 0.605 2.561) 7.052 20.017 ( -5.746 -0.666 -2.568) 6.329 20.017 ( 5.746 -0.666 -2.568) 6.329 21.143 ( -5.401 -2.524 0.311) 5.970 21.143 ( 5.401 -2.524 0.311) 5.970 21.177 ( -5.545 -1.479 -2.205) 6.148 21.177 ( 5.545 -1.479 -2.205) 6.148 21.265 ( -1.293 -3.379 -0.502) 3.652 21.265 ( 1.293 -3.379 -0.502) 3.652 21.332 ( -3.064 -5.199 -6.598) 8.942 21.332 ( 3.064 -5.199 -6.598) 8.942 ======================= Grid point 84 (33/36) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 0.000 28.562 25.695) 38.419 2.701 ( 0.000 24.050 24.275) 34.171 3.110 ( 0.000 -0.410 -3.188) 3.214 3.219 ( 0.000 12.541 -21.418) 24.820 3.273 ( 0.000 -22.286 17.838) 28.546 3.382 ( 0.000 -2.515 -8.097) 8.479 3.591 ( 0.000 -15.045 -14.202) 20.690 3.657 ( 0.000 0.683 -2.208) 2.311 3.820 ( 0.000 7.683 7.453) 10.704 4.108 ( 0.000 -1.727 1.468) 2.267 4.135 ( 0.000 1.438 -7.266) 7.407 4.149 ( 0.000 -0.899 -2.052) 2.240 4.299 ( 0.000 -2.138 3.978) 4.516 4.412 ( 0.000 -10.689 9.077) 14.023 4.463 ( 0.000 6.256 -9.489) 11.366 4.506 ( 0.000 3.495 0.054) 3.496 4.565 ( 0.000 -0.796 -0.798) 1.127 4.577 ( 0.000 -2.842 1.834) 3.382 4.641 ( 0.000 -7.227 -5.799) 9.265 4.644 ( 0.000 -4.443 -3.187) 5.468 4.841 ( 0.000 2.364 6.265) 6.696 4.894 ( 0.000 -2.805 8.006) 8.484 4.997 ( 0.000 2.282 -6.157) 6.567 5.037 ( 0.000 -1.229 -3.590) 3.795 6.097 ( 0.000 4.599 7.672) 8.945 6.127 ( 0.000 4.263 4.808) 6.425 6.206 ( 0.000 3.552 -0.797) 3.640 6.241 ( 0.000 0.640 -1.383) 1.524 6.348 ( 0.000 0.172 2.639) 2.644 6.380 ( 0.000 -3.049 4.694) 5.597 6.411 ( 0.000 4.701 -2.186) 5.184 6.495 ( 0.000 -3.277 -3.078) 4.496 6.590 ( 0.000 1.525 -3.069) 3.427 6.654 ( 0.000 -5.242 2.507) 5.811 6.690 ( 0.000 3.415 -9.087) 9.707 6.756 ( 0.000 -0.357 -5.196) 5.209 6.827 ( 0.000 0.013 3.011) 3.011 6.877 ( 0.000 -2.728 3.488) 4.428 6.964 ( 0.000 -3.035 -6.242) 6.941 6.991 ( 0.000 -3.508 -5.313) 6.367 7.447 ( 0.000 6.650 6.004) 8.959 7.470 ( 0.000 1.021 10.861) 10.909 7.513 ( 0.000 -1.192 4.927) 5.069 7.605 ( 0.000 0.154 0.907) 0.920 7.682 ( 0.000 -0.084 2.247) 2.249 7.742 ( 0.000 -2.126 0.779) 2.265 7.818 ( 0.000 0.756 -6.102) 6.149 7.838 ( 0.000 -1.270 -3.555) 3.775 8.002 ( 0.000 1.499 4.086) 4.353 8.021 ( 0.000 -0.404 7.451) 7.462 8.102 ( 0.000 1.703 -1.129) 2.044 8.109 ( 0.000 3.602 -3.735) 5.189 8.317 ( 0.000 -0.395 0.164) 0.427 8.322 ( 0.000 3.411 -6.300) 7.164 8.343 ( 0.000 1.895 -2.938) 3.496 8.364 ( 0.000 0.644 -3.200) 3.264 8.465 ( 0.000 -0.615 1.482) 1.605 8.474 ( 0.000 -0.243 1.343) 1.365 8.562 ( 0.000 2.082 -7.139) 7.437 8.593 ( 0.000 0.116 -6.054) 6.056 8.783 ( 0.000 1.730 4.258) 4.596 8.804 ( 0.000 2.811 2.000) 3.450 8.838 ( 0.000 -3.976 -1.771) 4.352 8.872 ( 0.000 -0.032 -2.234) 2.234 9.007 ( 0.000 3.678 7.542) 8.391 9.052 ( 0.000 1.075 6.145) 6.238 9.124 ( 0.000 0.421 1.060) 1.140 9.172 ( 0.000 0.764 -5.614) 5.666 9.195 ( 0.000 -8.124 5.793) 9.977 9.197 ( 0.000 0.238 -1.663) 1.680 9.252 ( 0.000 2.234 -5.838) 6.250 9.319 ( 0.000 -2.602 -2.342) 3.501 9.444 ( 0.000 2.963 5.004) 5.815 9.483 ( 0.000 -0.259 7.825) 7.829 9.499 ( 0.000 1.150 4.299) 4.450 9.522 ( 0.000 -1.385 6.499) 6.645 9.583 ( 0.000 3.573 -5.412) 6.485 9.636 ( 0.000 1.831 -2.748) 3.302 9.651 ( 0.000 1.899 -4.908) 5.263 9.668 ( 0.000 -3.663 -4.896) 6.114 9.783 ( 0.000 1.874 3.973) 4.392 9.882 ( 0.000 2.178 -0.970) 2.384 9.885 ( 0.000 -5.202 7.696) 9.289 9.921 ( 0.000 -1.362 5.766) 5.924 10.018 ( 0.000 -2.941 0.683) 3.019 10.098 ( 0.000 -7.316 4.858) 8.782 10.108 ( 0.000 -7.362 2.415) 7.748 10.118 ( 0.000 -0.050 -1.972) 1.973 10.155 ( 0.000 -4.652 0.754) 4.713 10.196 ( 0.000 -4.090 -1.695) 4.427 10.253 ( 0.000 0.249 -6.356) 6.360 10.287 ( 0.000 -3.322 -6.807) 7.574 10.413 ( 0.000 1.276 0.071) 1.278 10.487 ( 0.000 0.824 -5.459) 5.521 10.502 ( 0.000 -5.769 6.652) 8.805 10.565 ( 0.000 -3.375 1.879) 3.863 10.709 ( 0.000 10.535 2.383) 10.801 10.815 ( 0.000 1.980 4.889) 5.275 10.838 ( 0.000 4.194 -7.921) 8.963 10.864 ( 0.000 -2.164 -2.620) 3.398 10.910 ( 0.000 -5.761 -2.267) 6.191 10.927 ( 0.000 -3.286 -3.651) 4.912 10.940 ( 0.000 2.254 -3.751) 4.376 10.949 ( 0.000 0.684 -5.597) 5.638 11.208 ( 0.000 4.030 7.630) 8.629 11.241 ( 0.000 2.013 3.902) 4.391 11.369 ( 0.000 6.288 -6.266) 8.877 11.442 ( 0.000 1.884 -11.489) 11.643 11.569 ( 0.000 0.213 4.556) 4.561 11.599 ( 0.000 0.232 1.558) 1.575 11.624 ( 0.000 2.314 -0.790) 2.445 11.651 ( 0.000 -0.777 -1.562) 1.744 11.750 ( 0.000 -2.813 2.929) 4.062 11.805 ( 0.000 3.990 -1.903) 4.421 11.843 ( 0.000 -5.715 -0.416) 5.730 11.867 ( 0.000 -4.773 -3.179) 5.734 11.988 ( 0.000 9.934 3.456) 10.518 12.106 ( 0.000 2.397 3.427) 4.182 12.118 ( 0.000 3.772 -7.151) 8.085 12.176 ( 0.000 2.349 -2.720) 3.593 12.300 ( 0.000 0.223 3.540) 3.547 12.347 ( 0.000 0.584 0.146) 0.603 12.353 ( 0.000 -1.630 5.873) 6.095 12.446 ( 0.000 -4.993 -0.278) 5.001 12.487 ( 0.000 -0.260 0.825) 0.865 12.497 ( 0.000 -0.293 2.182) 2.201 12.533 ( 0.000 4.360 -4.452) 6.231 12.565 ( 0.000 1.864 -1.134) 2.182 12.764 ( 0.000 -1.074 -0.498) 1.184 12.785 ( 0.000 -3.386 4.655) 5.757 12.810 ( 0.000 0.785 0.885) 1.183 12.836 ( 0.000 -0.404 -0.633) 0.751 12.840 ( 0.000 -2.513 2.965) 3.887 12.872 ( 0.000 -1.372 -1.799) 2.262 12.906 ( 0.000 -4.255 -3.164) 5.302 12.926 ( 0.000 -3.807 -4.497) 5.892 12.982 ( 0.000 -0.839 1.903) 2.080 13.013 ( 0.000 -0.651 2.458) 2.542 13.040 ( 0.000 2.467 -2.475) 3.494 13.070 ( 0.000 -0.113 -2.359) 2.361 13.250 ( 0.000 2.185 2.279) 3.157 13.291 ( 0.000 1.857 -1.423) 2.340 13.309 ( 0.000 -2.543 1.669) 3.042 13.335 ( 0.000 -2.055 -0.446) 2.103 13.625 ( 0.000 0.766 0.502) 0.916 13.636 ( 0.000 -0.259 2.741) 2.754 13.672 ( 0.000 2.556 -3.548) 4.373 13.721 ( 0.000 -2.026 -5.030) 5.423 13.868 ( 0.000 4.083 6.129) 7.365 13.969 ( 0.000 -4.701 6.854) 8.311 13.991 ( 0.000 4.216 -1.874) 4.614 14.000 ( 0.000 -0.469 0.915) 1.028 14.043 ( 0.000 1.153 -3.008) 3.221 14.059 ( 0.000 -1.774 -2.579) 3.130 14.108 ( 0.000 -3.125 -3.858) 4.965 14.130 ( 0.000 -4.320 -7.688) 8.819 14.487 ( 0.000 4.301 9.526) 10.452 14.560 ( 0.000 -1.789 9.642) 9.807 14.688 ( 0.000 5.038 -8.003) 9.456 14.753 ( 0.000 3.599 -3.165) 4.792 14.793 ( 0.000 2.371 1.604) 2.863 14.891 ( 0.000 8.446 -3.854) 9.284 14.903 ( 0.000 -1.300 8.323) 8.424 15.028 ( 0.000 -0.838 -0.609) 1.036 15.197 ( 0.000 0.698 6.305) 6.344 15.263 ( 0.000 -3.692 7.774) 8.606 15.354 ( 0.000 6.633 -6.478) 9.272 15.395 ( 0.000 -0.369 -2.852) 2.876 15.408 ( 0.000 0.826 1.834) 2.012 15.459 ( 0.000 0.670 -2.614) 2.698 15.510 ( 0.000 -2.347 1.690) 2.892 15.585 ( 0.000 -8.596 -3.102) 9.139 15.725 ( 0.000 -1.844 4.302) 4.680 15.768 ( 0.000 -4.405 1.078) 4.535 15.817 ( 0.000 -3.392 -2.896) 4.461 15.856 ( 0.000 -3.367 -5.743) 6.657 16.100 ( 0.000 3.318 8.470) 9.097 16.136 ( 0.000 4.094 15.279) 15.818 16.223 ( 0.000 2.505 -1.548) 2.945 16.224 ( 0.000 -0.909 -0.590) 1.084 16.284 ( 0.000 -0.639 -3.418) 3.477 16.337 ( 0.000 -5.779 2.875) 6.454 16.460 ( 0.000 3.101 -12.316) 12.701 16.515 ( 0.000 -0.396 -9.509) 9.518 16.590 ( 0.000 8.757 4.319) 9.764 16.675 ( 0.000 8.238 -1.220) 8.327 16.754 ( 0.000 -3.555 3.261) 4.825 16.794 ( 0.000 -3.131 6.161) 6.911 16.830 ( 0.000 -0.764 -0.491) 0.908 16.831 ( 0.000 -0.078 0.258) 0.269 16.877 ( 0.000 4.500 -4.045) 6.051 16.984 ( 0.000 -4.782 -2.078) 5.213 17.018 ( 0.000 0.113 0.530) 0.542 17.065 ( 0.000 -2.266 2.192) 3.153 17.085 ( 0.000 -1.502 -1.148) 1.891 17.095 ( 0.000 -3.285 -0.038) 3.285 17.252 ( 0.000 0.919 0.196) 0.940 17.260 ( 0.000 0.151 -0.351) 0.383 17.265 ( 0.000 0.757 -1.952) 2.093 17.300 ( 0.000 -1.941 -3.934) 4.387 17.435 ( 0.000 1.306 1.336) 1.868 17.438 ( 0.000 1.737 2.227) 2.824 17.467 ( 0.000 0.700 -0.725) 1.008 17.488 ( 0.000 -1.401 0.051) 1.402 17.622 ( 0.000 2.004 0.643) 2.105 17.673 ( 0.000 2.994 -3.796) 4.835 17.690 ( 0.000 -3.142 4.574) 5.550 17.743 ( 0.000 -1.887 -0.967) 2.120 17.900 ( 0.000 3.939 5.760) 6.978 18.022 ( 0.000 -6.106 3.382) 6.980 18.044 ( 0.000 -0.069 -1.087) 1.089 18.075 ( 0.000 -3.699 -0.635) 3.753 18.091 ( 0.000 8.672 -1.382) 8.781 18.144 ( 0.000 8.172 -0.706) 8.202 18.295 ( 0.000 -8.039 2.316) 8.366 18.327 ( 0.000 -5.675 -0.339) 5.685 18.402 ( 0.000 0.845 2.350) 2.497 18.463 ( 0.000 -1.514 4.521) 4.768 18.475 ( 0.000 3.388 -4.765) 5.847 18.535 ( 0.000 -1.865 -2.581) 3.184 18.985 ( 0.000 9.392 11.103) 14.542 19.110 ( 0.000 5.041 9.760) 10.985 19.116 ( 0.000 4.805 3.202) 5.774 19.188 ( 0.000 -7.534 11.285) 13.569 19.278 ( 0.000 1.849 -2.164) 2.846 19.320 ( 0.000 0.109 -6.861) 6.862 19.378 ( 0.000 2.331 -8.501) 8.815 19.400 ( 0.000 -1.568 -8.408) 8.553 19.893 ( 0.000 6.965 4.012) 8.038 19.974 ( 0.000 7.453 -2.677) 7.920 20.056 ( 0.000 -7.126 2.687) 7.616 20.112 ( 0.000 -5.008 -1.769) 5.311 21.016 ( 0.000 3.748 0.489) 3.780 21.079 ( 0.000 2.047 -5.082) 5.479 21.152 ( 0.000 -8.201 -0.585) 8.222 21.180 ( 0.000 -7.091 -3.090) 7.735 21.400 ( 0.000 -0.297 3.715) 3.726 21.433 ( 0.000 -3.593 4.513) 5.769 21.538 ( 0.000 0.582 -8.611) 8.630 21.585 ( 0.000 -3.746 -9.079) 9.821 ======================= Grid point 85 (34/36) ======================= q-point: ( 0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 11.601 26.064 21.292) 35.599 2.781 ( 8.962 21.636 23.421) 33.120 3.164 ( 5.722 0.389 -3.552) 6.746 3.271 ( 5.298 9.528 -17.570) 20.677 3.331 ( 6.105 -18.730 12.925) 23.561 3.436 ( 5.359 -4.746 -5.983) 9.330 3.603 ( 1.055 -12.009 -12.195) 17.148 3.702 ( 3.205 -10.662 -11.131) 15.744 3.849 ( 1.910 13.027 11.343) 17.379 4.005 ( -9.463 1.542 -1.075) 9.648 4.087 ( -4.708 -3.985 -1.451) 6.336 4.093 ( -6.168 -3.958 -1.531) 7.487 4.262 ( -2.313 2.265 6.012) 6.828 4.356 ( -11.652 0.625 0.568) 11.683 4.397 ( -8.643 -0.655 -0.614) 8.689 4.407 ( -10.342 3.542 0.182) 10.934 4.445 ( -9.932 -4.386 -0.163) 10.858 4.544 ( 6.058 1.833 -1.038) 6.413 4.644 ( 4.798 -6.446 -0.823) 8.078 4.762 ( 7.468 -6.388 -4.907) 10.984 4.900 ( 4.866 2.411 2.764) 6.093 4.946 ( 3.243 -2.003 4.578) 5.957 4.977 ( -0.658 3.628 -3.206) 4.886 5.041 ( -0.825 -1.866 -2.485) 3.215 6.093 ( -0.059 3.993 6.150) 7.333 6.130 ( 0.794 2.594 3.648) 4.546 6.186 ( -2.138 2.293 1.183) 3.351 6.214 ( -1.868 -0.146 0.081) 1.876 6.362 ( -0.201 1.746 1.229) 2.145 6.423 ( 2.975 -2.374 2.126) 4.360 6.459 ( 3.200 2.987 -1.622) 4.669 6.481 ( -3.784 0.673 -4.740) 6.103 6.580 ( -0.514 -0.483 -2.736) 2.826 6.635 ( 2.347 -1.658 1.893) 3.441 6.662 ( -0.332 0.411 -5.206) 5.233 6.769 ( 2.044 -4.536 -7.865) 9.307 6.943 ( 8.528 1.363 4.208) 9.607 6.982 ( 9.636 -2.552 6.127) 11.701 7.065 ( 8.771 2.170 -5.471) 10.563 7.110 ( 11.447 -1.428 -4.719) 12.463 7.392 ( -3.124 3.303 5.323) 7.000 7.418 ( -4.314 0.928 6.378) 7.756 7.470 ( -3.167 -0.218 1.201) 3.394 7.514 ( -7.004 -3.903 -2.346) 8.355 7.674 ( 0.651 5.091 7.025) 8.700 7.748 ( 0.252 -1.684 4.728) 5.025 7.839 ( 2.020 3.336 -5.265) 6.552 7.950 ( 6.368 -4.214 -6.276) 9.884 8.046 ( 3.012 1.913 6.216) 7.167 8.062 ( -1.590 6.744 0.182) 6.931 8.074 ( 5.799 -0.670 7.296) 9.343 8.184 ( 5.644 -1.854 0.090) 5.942 8.282 ( -2.741 2.453 -0.784) 3.761 8.331 ( -0.663 -0.380 -1.752) 1.912 8.358 ( 1.580 1.643 -4.523) 5.065 8.381 ( -0.814 1.018 -3.364) 3.607 8.467 ( 0.583 2.506 2.021) 3.272 8.501 ( 3.720 0.712 1.716) 4.158 8.532 ( -1.792 4.451 -2.345) 5.340 8.609 ( 2.173 -0.013 -5.190) 5.627 8.741 ( -2.184 0.288 -0.565) 2.274 8.756 ( -3.724 0.800 -2.915) 4.796 8.804 ( -3.004 -5.297 1.128) 6.193 8.847 ( -2.857 -3.467 -2.341) 5.065 9.026 ( 0.135 3.556 5.166) 6.273 9.081 ( -2.116 0.018 1.825) 2.794 9.125 ( 2.890 3.389 3.170) 5.466 9.172 ( -3.232 0.393 1.835) 3.737 9.207 ( 1.294 -1.970 0.197) 2.365 9.224 ( -1.369 1.391 -0.506) 2.016 9.259 ( 6.475 -1.529 -4.485) 8.023 9.328 ( 2.290 -2.148 -3.250) 4.519 9.419 ( -1.341 1.980 5.515) 6.011 9.486 ( -0.432 1.892 4.548) 4.945 9.501 ( 0.246 -3.658 5.684) 6.764 9.545 ( 0.892 -2.792 6.366) 7.009 9.580 ( -3.784 3.959 -1.923) 5.805 9.591 ( 0.573 2.246 -5.986) 6.419 9.627 ( -1.384 -1.978 -2.769) 3.673 9.694 ( 2.735 -3.778 -5.136) 6.938 9.782 ( -0.267 4.788 5.990) 7.673 9.861 ( -1.226 3.473 2.033) 4.207 9.886 ( -1.941 -0.630 6.435) 6.751 9.933 ( 0.242 -4.417 5.234) 6.853 10.025 ( -5.547 -2.286 3.361) 6.877 10.033 ( 0.087 1.448 -5.472) 5.661 10.098 ( -2.995 -0.805 -3.757) 4.872 10.106 ( -2.311 -5.876 2.123) 6.661 10.123 ( -2.846 -5.093 -0.378) 5.846 10.154 ( -3.035 -4.016 -4.939) 7.052 10.237 ( -1.376 -4.071 -4.180) 5.995 10.277 ( 0.106 -6.311 -4.834) 7.950 10.441 ( 2.150 1.123 0.214) 2.435 10.480 ( -1.900 0.723 -1.484) 2.517 10.544 ( 1.982 -4.484 -0.467) 4.925 10.604 ( -0.086 -6.234 -2.911) 6.881 10.652 ( -1.328 4.726 1.478) 5.127 10.690 ( -3.021 4.891 -2.581) 6.302 10.785 ( -3.589 -5.775 0.000) 6.800 10.804 ( -4.050 -4.851 -1.361) 6.464 10.946 ( 7.942 3.251 3.851) 9.406 10.995 ( 4.916 -0.259 0.285) 4.931 11.060 ( 4.922 2.133 -5.115) 7.412 11.065 ( 6.144 1.543 -6.550) 9.113 11.190 ( -0.675 4.205 7.834) 8.917 11.234 ( 0.202 1.101 5.686) 5.795 11.395 ( 2.496 4.501 -6.878) 8.590 11.423 ( -1.221 2.626 -10.071) 10.479 11.489 ( -6.175 4.233 2.743) 7.973 11.545 ( -5.685 -0.140 -0.920) 5.761 11.617 ( -3.555 -2.115 0.525) 4.170 11.642 ( -0.377 -2.226 -0.774) 2.387 11.691 ( -5.025 -0.095 3.364) 6.048 11.754 ( -4.981 0.965 -1.538) 5.302 11.826 ( -2.186 -2.962 -1.292) 3.901 11.854 ( -2.180 -4.207 -3.711) 6.018 11.980 ( -1.376 8.722 4.145) 9.755 12.060 ( -4.280 5.442 0.358) 6.932 12.114 ( -1.317 1.253 -0.018) 1.818 12.166 ( -2.825 -0.972 -1.412) 3.304 12.260 ( -1.192 1.981 2.974) 3.767 12.328 ( -2.002 2.367 -0.960) 3.245 12.348 ( 0.480 -2.073 2.397) 3.205 12.423 ( -1.685 -3.328 -1.743) 4.118 12.475 ( -1.160 2.560 0.101) 2.812 12.501 ( -1.964 4.039 -1.782) 4.832 12.511 ( 1.047 -0.956 3.140) 3.445 12.593 ( -0.053 -3.450 -1.868) 3.923 12.767 ( 0.570 0.572 0.856) 1.177 12.779 ( -1.227 -0.617 1.410) 1.969 12.817 ( 1.790 -2.619 3.612) 4.807 12.838 ( 0.275 -2.527 3.569) 4.382 12.876 ( 2.190 -0.277 -0.072) 2.208 12.897 ( 4.638 1.987 -2.749) 5.746 12.950 ( 4.156 -1.256 -2.150) 4.845 12.958 ( 1.986 -1.508 -3.263) 4.107 12.990 ( 1.268 -1.369 1.362) 2.310 13.018 ( -0.704 0.877 0.319) 1.169 13.061 ( 1.124 0.518 -0.871) 1.514 13.097 ( 4.294 -2.792 -3.367) 6.129 13.232 ( -1.001 2.210 3.086) 3.925 13.293 ( 0.278 1.532 -2.038) 2.564 13.320 ( 0.623 -3.724 1.214) 3.966 13.350 ( 1.930 -2.146 -0.971) 3.045 13.612 ( -1.457 0.677 0.698) 1.752 13.622 ( -1.304 0.005 2.758) 3.051 13.661 ( -1.141 2.549 -3.288) 4.314 13.707 ( -1.399 -1.806 -4.431) 4.985 13.840 ( -2.953 2.219 4.235) 5.620 13.910 ( -3.904 -3.906 4.102) 6.879 13.953 ( -4.092 3.073 -5.302) 7.369 14.013 ( -4.886 -2.579 -4.839) 7.344 14.047 ( 5.331 1.851 3.005) 6.394 14.123 ( 4.889 -0.582 0.800) 4.988 14.147 ( 9.025 -0.373 -2.361) 9.336 14.234 ( 6.919 -3.732 -5.251) 9.453 14.492 ( 0.243 4.101 8.734) 9.652 14.561 ( -0.619 -1.041 8.726) 8.810 14.671 ( -1.609 4.814 -5.648) 7.594 14.744 ( -2.427 0.514 -5.610) 6.134 14.811 ( 1.780 4.254 4.118) 6.183 14.884 ( -0.149 3.162 1.616) 3.554 14.916 ( 0.971 2.322 1.027) 2.718 15.017 ( -1.580 -0.695 -2.771) 3.265 15.155 ( -3.352 1.746 6.527) 7.543 15.207 ( -3.372 -2.572 4.417) 6.124 15.313 ( -3.820 -0.311 -2.927) 4.822 15.363 ( -3.427 -4.062 -5.133) 7.389 15.491 ( 7.129 2.991 0.892) 7.783 15.511 ( 6.197 2.693 -0.109) 6.758 15.569 ( 4.873 -1.739 0.855) 5.244 15.604 ( 2.296 -5.064 -0.075) 5.561 15.763 ( 2.666 -0.782 2.298) 3.605 15.791 ( 2.274 -2.416 0.429) 3.346 15.837 ( 2.247 -5.121 -0.417) 5.608 15.871 ( 1.728 -4.164 -3.559) 5.744 16.100 ( 0.074 2.514 8.779) 9.133 16.133 ( -0.443 1.512 10.647) 10.763 16.232 ( 0.530 2.477 0.333) 2.555 16.257 ( 2.480 0.931 -2.490) 3.635 16.282 ( 0.327 -0.245 -3.475) 3.499 16.330 ( -0.675 -3.324 1.970) 3.923 16.464 ( -0.742 1.087 -8.932) 9.028 16.491 ( -1.556 1.355 -7.106) 7.400 16.598 ( 0.928 5.590 1.065) 5.766 16.654 ( -1.754 7.936 -1.202) 8.216 16.730 ( -2.008 -2.907 1.999) 4.059 16.756 ( -3.469 -1.418 1.776) 4.147 16.804 ( -1.617 0.287 2.329) 2.849 16.839 ( 0.256 -0.991 1.860) 2.123 16.898 ( 1.053 2.690 -3.353) 4.425 16.971 ( -1.906 -2.642 -6.450) 7.226 17.024 ( 1.000 -0.575 3.524) 3.708 17.048 ( -1.408 -1.386 1.283) 2.355 17.062 ( -1.228 0.542 1.336) 1.894 17.100 ( 0.015 -3.023 -1.856) 3.548 17.225 ( -1.892 0.945 0.908) 2.302 17.254 ( -1.523 -0.921 1.821) 2.547 17.266 ( -0.464 0.609 -3.510) 3.593 17.312 ( -0.544 -3.054 -2.611) 4.055 17.441 ( 1.257 1.179 1.867) 2.541 17.463 ( 0.214 -1.482 1.926) 2.439 17.488 ( 3.384 0.823 -1.578) 3.823 17.505 ( 3.264 -1.091 -0.753) 3.523 17.630 ( 1.471 2.149 2.012) 3.291 17.683 ( 0.061 0.607 0.397) 0.728 17.721 ( 3.145 -0.593 0.898) 3.324 17.786 ( 2.645 -2.795 -2.430) 4.552 17.881 ( -0.579 5.553 4.920) 7.441 18.005 ( -2.549 1.135 -3.189) 4.237 18.032 ( -0.384 -6.056 1.808) 6.332 18.088 ( 0.866 -1.301 -0.659) 1.696 18.121 ( 3.885 5.712 2.602) 7.382 18.169 ( 3.282 5.575 -0.703) 6.507 18.289 ( -1.886 -4.522 1.926) 5.264 18.307 ( 1.381 -7.412 0.543) 7.559 18.438 ( 3.516 4.483 4.125) 7.034 18.503 ( 3.429 1.832 0.928) 3.997 18.515 ( 4.302 2.103 1.755) 5.100 18.614 ( 5.694 -4.191 -4.206) 8.227 18.908 ( -6.352 7.660 10.448) 14.428 19.050 ( -5.158 -1.829 7.347) 9.161 19.092 ( -5.783 3.868 0.069) 6.957 19.231 ( -6.131 -4.536 -3.701) 8.477 19.260 ( 6.821 4.756 4.148) 9.293 19.307 ( 3.682 2.040 1.778) 4.569 19.435 ( 4.950 1.594 -6.525) 8.344 19.467 ( 4.395 -1.067 -6.085) 7.582 19.903 ( 1.091 6.506 3.316) 7.383 19.968 ( -0.443 6.452 -2.013) 6.774 20.051 ( -0.551 -6.323 1.862) 6.614 20.091 ( -2.249 -4.477 -1.169) 5.144 21.013 ( -0.003 3.144 0.110) 3.146 21.067 ( -0.902 1.865 -4.618) 5.062 21.136 ( -1.446 -7.705 -0.738) 7.874 21.162 ( -1.619 -6.735 -3.072) 7.577 21.353 ( -4.734 -0.425 3.185) 5.722 21.384 ( -4.998 -3.327 3.762) 7.085 21.478 ( -6.193 0.355 -7.799) 9.965 21.518 ( -6.733 -3.393 -8.187) 11.130 ======================= Grid point 86 (35/36) ======================= q-point: ( 0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 14.498 19.133 17.425) 29.663 3.051 ( 17.794 17.322 16.237) 29.671 3.310 ( 9.491 0.830 -4.051) 10.352 3.390 ( 6.169 3.263 -8.111) 10.700 3.481 ( 9.188 -9.317 3.272) 13.488 3.535 ( 0.763 -2.411 -2.254) 3.387 3.600 ( 0.328 -6.427 -2.361) 6.855 3.700 ( -7.211 -3.544 -6.403) 10.274 3.807 ( -5.181 4.395 -0.009) 6.794 3.858 ( -1.682 -6.329 -3.920) 7.632 3.937 ( -9.929 -9.140 -0.435) 13.502 3.994 ( -4.743 -9.418 -4.410) 11.429 4.088 ( -11.913 0.347 -1.771) 12.049 4.130 ( -12.226 1.345 -4.226) 13.006 4.179 ( -13.374 -6.162 -0.911) 14.753 4.214 ( -11.846 -5.122 -3.324) 13.327 4.463 ( 14.590 14.251 15.273) 25.480 4.717 ( 10.102 0.134 2.867) 10.501 4.785 ( 8.680 0.295 -2.840) 9.138 4.886 ( 4.896 -1.731 -2.398) 5.720 4.941 ( -2.424 1.912 2.652) 4.070 4.970 ( -1.175 0.408 1.003) 1.597 4.991 ( 0.389 0.007 -0.348) 0.521 4.999 ( -1.148 0.769 -0.683) 1.541 6.103 ( 0.982 2.834 4.420) 5.342 6.148 ( -0.331 1.676 2.261) 2.834 6.153 ( -0.166 0.858 2.561) 2.706 6.182 ( -1.375 0.301 0.605) 1.533 6.332 ( -1.660 3.096 0.889) 3.624 6.403 ( -3.957 0.329 -0.630) 4.020 6.438 ( -1.084 -3.063 -3.909) 5.083 6.451 ( -2.719 -5.118 -2.812) 6.442 6.631 ( 5.284 2.514 -0.367) 5.863 6.679 ( 2.993 -0.555 0.716) 3.127 6.731 ( 4.284 2.035 -6.392) 7.959 6.799 ( -0.216 -1.945 -7.484) 7.736 7.069 ( 3.601 3.296 6.004) 7.738 7.104 ( 3.670 -0.739 5.351) 6.530 7.193 ( 2.363 1.182 -0.461) 2.682 7.289 ( -2.356 -6.218 -4.567) 8.067 7.383 ( 6.355 4.127 3.792) 8.473 7.417 ( 7.173 3.990 3.042) 8.754 7.476 ( 5.464 1.690 2.004) 6.060 7.519 ( 10.033 0.961 -1.379) 10.173 7.677 ( -0.045 7.462 1.454) 7.602 7.745 ( -1.039 1.769 2.916) 3.565 7.856 ( -0.666 0.302 -2.143) 2.264 7.980 ( -6.110 0.067 1.043) 6.198 8.043 ( 2.318 -1.021 2.784) 3.764 8.098 ( 1.083 1.393 1.452) 2.285 8.150 ( -0.075 -1.524 6.956) 7.122 8.205 ( -5.649 -2.853 1.472) 6.498 8.308 ( 5.852 3.808 3.616) 7.863 8.335 ( 3.935 0.743 2.452) 4.696 8.351 ( 1.442 2.103 2.186) 3.359 8.396 ( 1.743 -0.335 -1.273) 2.184 8.498 ( 1.977 5.412 1.349) 5.917 8.523 ( 0.836 2.607 -0.653) 2.815 8.589 ( 4.224 0.931 1.693) 4.645 8.644 ( 1.441 1.861 -0.320) 2.375 8.728 ( 0.736 0.314 -3.502) 3.592 8.733 ( 1.287 0.297 -5.440) 5.598 8.749 ( -1.555 -4.972 -1.739) 5.492 8.827 ( 1.329 -3.897 -5.892) 7.188 8.956 ( -8.897 3.817 -1.586) 9.810 8.973 ( -5.788 2.026 -1.039) 6.219 9.041 ( -8.373 0.215 -1.239) 8.467 9.107 ( -7.106 -1.680 -3.972) 8.312 9.246 ( 5.029 1.289 7.862) 9.421 9.306 ( 6.057 -4.339 5.904) 9.506 9.327 ( -0.397 1.444 3.480) 3.788 9.407 ( 0.695 0.941 1.176) 1.659 9.423 ( 5.039 -0.229 -0.111) 5.045 9.466 ( -2.782 -3.382 1.184) 4.536 9.502 ( 1.439 -1.951 3.147) 3.972 9.510 ( -2.602 -1.637 0.979) 3.227 9.548 ( 3.161 2.283 0.651) 3.953 9.623 ( -0.566 -0.636 2.437) 2.582 9.660 ( 4.735 2.594 -8.400) 9.986 9.728 ( -0.442 0.045 0.949) 1.048 9.764 ( -2.077 -3.725 1.541) 4.535 9.815 ( -2.405 0.867 3.292) 4.168 9.846 ( -3.184 -0.208 -1.183) 3.403 9.910 ( -1.196 -0.640 2.845) 3.152 9.945 ( -3.271 -0.301 -1.627) 3.665 9.968 ( -2.416 4.858 -3.747) 6.594 10.016 ( -6.105 -7.662 0.190) 9.798 10.071 ( -1.123 -3.210 -1.315) 3.647 10.077 ( -3.777 -4.583 -7.098) 9.255 10.120 ( 1.500 1.950 -3.789) 4.518 10.197 ( -2.715 -4.273 -2.134) 5.494 10.263 ( -3.118 -6.617 -6.136) 9.547 10.408 ( -3.794 2.021 -0.383) 4.316 10.426 ( -4.801 0.876 -1.738) 5.180 10.491 ( -4.366 -4.481 -1.790) 6.507 10.504 ( -4.295 -5.073 -4.370) 7.954 10.774 ( 9.410 -1.977 2.920) 10.049 10.789 ( 8.035 -2.250 2.101) 8.604 10.811 ( 8.435 -2.454 1.215) 8.868 10.860 ( 7.689 -4.755 -0.902) 9.086 11.055 ( 2.340 2.413 1.044) 3.520 11.071 ( 3.126 2.197 0.748) 3.894 11.092 ( -0.514 2.271 0.142) 2.333 11.110 ( 0.338 0.257 -2.062) 2.106 11.215 ( 1.426 3.743 4.458) 5.993 11.256 ( 0.762 2.838 4.259) 5.174 11.362 ( -7.113 1.967 2.790) 7.889 11.374 ( -5.693 4.067 -1.248) 7.107 11.441 ( -1.925 1.662 -7.149) 7.588 11.462 ( 1.756 -1.142 -5.979) 6.335 11.535 ( -4.122 -4.957 -4.215) 7.702 11.553 ( -6.418 -4.573 -2.315) 8.214 11.652 ( 0.034 2.653 3.876) 4.697 11.674 ( -2.392 2.144 2.191) 3.888 11.759 ( -4.153 -0.966 -0.334) 4.277 11.785 ( -4.690 -3.892 -2.214) 6.484 11.943 ( -1.494 7.661 2.187) 8.106 11.984 ( -2.919 5.228 -0.348) 5.998 12.049 ( -5.330 -0.791 0.919) 5.467 12.082 ( -4.930 -2.800 -0.480) 5.690 12.282 ( 2.724 5.646 0.583) 6.296 12.314 ( 0.824 4.612 -1.969) 5.082 12.366 ( 0.333 1.805 1.204) 2.195 12.410 ( -0.677 -1.231 -1.918) 2.378 12.441 ( -1.365 3.235 0.966) 3.642 12.468 ( -0.239 -1.399 -1.141) 1.821 12.522 ( -0.721 -2.859 2.099) 3.619 12.561 ( -3.031 -5.568 -0.885) 6.401 12.781 ( 1.676 0.909 2.311) 2.996 12.790 ( 1.528 1.318 1.854) 2.740 12.823 ( 0.316 -1.199 3.527) 3.738 12.851 ( 0.176 -2.584 3.038) 3.992 12.904 ( 0.475 1.639 -0.276) 1.729 12.934 ( -1.516 1.163 -0.587) 1.999 12.973 ( -1.549 -1.594 0.844) 2.377 13.000 ( -1.224 -0.227 -0.883) 1.526 13.040 ( 5.966 0.670 -0.033) 6.003 13.063 ( 4.988 0.912 -0.293) 5.079 13.120 ( 6.182 1.219 -0.605) 6.330 13.168 ( 3.022 2.705 -3.096) 5.102 13.263 ( 4.188 -4.181 -0.352) 5.928 13.288 ( -1.165 -0.867 1.227) 1.901 13.332 ( 0.271 -2.374 -1.320) 2.730 13.388 ( 1.247 -3.768 -2.734) 4.819 13.577 ( -1.746 2.040 1.636) 3.144 13.603 ( -0.447 0.682 2.788) 2.905 13.634 ( -1.390 2.839 -2.085) 3.786 13.676 ( -1.871 -1.011 -2.609) 3.366 13.786 ( -1.801 0.060 0.573) 1.891 13.837 ( -3.601 -3.581 0.693) 5.125 13.870 ( -4.309 -0.013 -5.188) 6.744 13.917 ( -5.385 -3.322 -4.929) 8.021 14.182 ( 8.575 4.657 4.465) 10.731 14.235 ( 6.911 3.899 1.579) 8.091 14.330 ( 9.692 -2.143 -1.980) 10.122 14.362 ( 6.193 -1.435 -3.147) 7.094 14.476 ( -2.246 3.781 7.107) 8.358 14.517 ( -4.076 1.540 6.452) 7.785 14.619 ( -4.296 2.243 -3.135) 5.772 14.664 ( -5.127 -0.680 -3.743) 6.385 14.846 ( 2.009 3.237 2.972) 4.832 14.889 ( 0.453 2.319 -0.233) 2.374 14.926 ( -0.266 -0.786 0.070) 0.833 14.969 ( -3.320 -0.533 -2.013) 3.919 15.116 ( -0.019 2.562 3.427) 4.279 15.177 ( -0.083 -2.195 0.317) 2.219 15.240 ( -3.713 -2.783 -1.695) 4.940 15.290 ( -4.062 -6.528 -4.949) 9.144 15.632 ( 6.943 0.619 3.194) 7.667 15.644 ( 6.283 0.049 0.529) 6.305 15.662 ( 4.874 0.174 1.225) 5.029 15.687 ( 7.248 -0.786 0.477) 7.306 15.782 ( -0.226 1.668 2.491) 3.006 15.830 ( 1.460 0.952 -1.443) 2.263 15.882 ( 1.278 -6.430 2.902) 7.169 15.913 ( 1.673 -4.990 -0.608) 5.298 16.112 ( 1.713 0.663 8.812) 9.001 16.133 ( 1.122 -1.122 4.861) 5.114 16.202 ( -3.112 4.250 1.111) 5.384 16.285 ( -1.184 1.407 -2.062) 2.763 16.314 ( 0.017 -0.477 0.616) 0.779 16.321 ( 3.473 -0.447 -6.209) 7.128 16.409 ( -3.693 3.278 -3.830) 6.249 16.474 ( -1.884 -2.170 -6.942) 7.514 16.620 ( 0.325 4.824 -0.296) 4.844 16.636 ( 1.113 4.822 -0.765) 5.007 16.688 ( -3.517 0.115 1.817) 3.960 16.699 ( -1.486 -0.131 0.236) 1.511 16.787 ( 0.340 1.413 2.183) 2.623 16.843 ( 0.419 -2.235 1.054) 2.506 16.885 ( -2.441 1.445 -3.117) 4.214 16.924 ( -2.948 -0.531 -5.566) 6.321 17.032 ( -0.023 0.670 1.695) 1.823 17.044 ( 0.334 -0.135 3.450) 3.468 17.062 ( 1.942 -0.115 0.991) 2.183 17.103 ( 0.504 -3.641 -1.831) 4.107 17.196 ( -1.592 0.577 -0.335) 1.727 17.210 ( -2.294 -1.043 1.266) 2.820 17.233 ( -2.543 -1.799 -2.577) 4.043 17.259 ( -4.116 -2.603 -1.282) 5.036 17.490 ( 3.442 0.974 1.779) 3.995 17.501 ( 4.001 0.746 0.926) 4.174 17.563 ( 4.111 -1.368 -1.225) 4.503 17.575 ( 4.432 -1.673 -0.913) 4.824 17.651 ( -2.890 -0.168 0.551) 2.947 17.660 ( 0.205 0.917 1.063) 1.419 17.717 ( -5.111 -1.051 0.481) 5.240 17.777 ( -2.047 -3.531 -1.966) 4.531 17.970 ( 7.858 3.308 1.599) 8.675 17.991 ( 2.774 4.668 -0.467) 5.450 18.061 ( 3.085 -4.529 3.595) 6.554 18.105 ( 1.130 -5.185 -0.019) 5.307 18.186 ( 2.355 9.186 4.090) 10.328 18.241 ( 3.718 5.433 -0.397) 6.596 18.281 ( -0.275 1.208 4.392) 4.564 18.343 ( 0.831 -3.998 -0.519) 4.116 18.512 ( 5.534 3.135 6.949) 9.421 18.560 ( 3.408 0.628 4.131) 5.392 18.635 ( 8.140 1.275 -0.685) 8.268 18.720 ( 6.458 -3.800 -5.094) 9.061 18.784 ( -6.661 5.878 7.743) 11.784 18.897 ( -10.594 -3.359 7.395) 13.349 18.972 ( -7.301 3.766 -5.780) 10.045 19.074 ( -9.967 -3.471 -5.828) 12.056 19.399 ( 7.252 3.405 3.707) 8.828 19.417 ( 6.746 1.881 3.754) 7.946 19.511 ( 2.568 1.462 -2.998) 4.209 19.530 ( 1.723 0.105 -3.930) 4.292 19.932 ( 1.970 4.517 1.849) 5.263 19.970 ( 0.841 3.174 -1.532) 3.623 20.032 ( -1.700 -3.964 -0.010) 4.314 20.037 ( -3.238 -2.781 -0.363) 4.284 21.033 ( 2.500 1.562 -0.379) 2.972 21.071 ( 2.047 0.975 -3.403) 4.089 21.119 ( 0.264 -5.952 -1.116) 6.061 21.141 ( -0.060 -5.124 -2.602) 5.747 21.244 ( -6.446 -0.866 1.746) 6.734 21.272 ( -6.419 -3.261 1.523) 7.359 21.333 ( -8.696 -0.172 -5.943) 10.534 21.364 ( -9.142 -3.017 -6.355) 11.535 ======================= Grid point 87 (36/36) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( -12.126 12.305 10.905) 20.430 3.271 ( 12.126 12.305 10.905) 20.430 3.396 ( -9.820 8.983 8.732) 15.918 3.396 ( 9.820 8.983 8.732) 15.918 3.500 ( -6.011 -0.740 -3.923) 7.216 3.500 ( 6.011 -0.740 -3.923) 7.216 3.640 ( -4.160 0.580 -4.878) 6.437 3.640 ( 4.160 0.580 -4.878) 6.437 3.769 ( -4.949 -7.992 1.248) 9.483 3.769 ( 4.949 -7.992 1.248) 9.483 3.924 ( -5.199 -11.755 -8.412) 15.362 3.924 ( 5.199 -11.755 -8.412) 15.362 3.989 ( -1.830 -4.468 -2.837) 5.600 3.989 ( 1.830 -4.468 -2.837) 5.600 4.040 ( -5.632 -6.462 -6.518) 10.769 4.040 ( 5.632 -6.462 -6.518) 10.769 4.756 ( -13.870 9.034 10.187) 19.436 4.756 ( 13.870 9.034 10.187) 19.436 4.873 ( -5.261 0.554 4.362) 6.856 4.873 ( 5.261 0.554 4.362) 6.856 4.929 ( -4.607 2.606 -1.593) 5.528 4.929 ( 4.607 2.606 -1.593) 5.528 4.997 ( -1.025 -1.456 -3.166) 3.632 4.997 ( 1.025 -1.456 -3.166) 3.632 6.124 ( -1.273 2.560 3.233) 4.315 6.124 ( 1.273 2.560 3.233) 4.315 6.166 ( -0.600 0.201 0.910) 1.108 6.166 ( 0.600 0.201 0.910) 1.108 6.338 ( -2.438 1.058 1.246) 2.935 6.338 ( 2.438 1.058 1.246) 2.935 6.422 ( -0.180 -5.055 -3.670) 6.250 6.422 ( 0.180 -5.055 -3.670) 6.250 6.717 ( -1.746 3.217 -1.513) 3.960 6.717 ( 1.746 3.217 -1.513) 3.960 6.762 ( -1.376 -0.283 -4.659) 4.866 6.762 ( 1.376 -0.283 -4.659) 4.866 7.140 ( -4.514 0.772 3.006) 5.478 7.140 ( 4.514 0.772 3.006) 5.478 7.188 ( -4.924 -3.840 -0.253) 6.250 7.188 ( 4.924 -3.840 -0.253) 6.250 7.489 ( -2.054 9.905 5.520) 11.524 7.489 ( 2.054 9.905 5.520) 11.524 7.632 ( -3.091 5.270 -2.641) 6.656 7.632 ( 3.091 5.270 -2.641) 6.656 7.729 ( -4.384 0.277 2.774) 5.195 7.729 ( 4.384 0.277 2.774) 5.195 7.832 ( -7.684 0.101 -1.920) 7.921 7.832 ( 7.684 0.101 -1.920) 7.921 8.086 ( -3.267 -1.255 5.394) 6.429 8.086 ( 3.267 -1.255 5.394) 6.429 8.122 ( -0.846 -4.018 1.493) 4.369 8.122 ( 0.846 -4.018 1.493) 4.369 8.382 ( -1.083 1.647 5.372) 5.722 8.382 ( 1.083 1.647 5.372) 5.722 8.398 ( -0.408 1.737 3.537) 3.961 8.398 ( 0.408 1.737 3.537) 3.961 8.557 ( -2.674 4.919 4.418) 7.132 8.557 ( 2.674 4.919 4.418) 7.132 8.629 ( -3.187 0.458 1.682) 3.632 8.629 ( 3.187 0.458 1.682) 3.632 8.757 ( -1.447 1.833 -3.701) 4.376 8.757 ( 1.447 1.833 -3.701) 4.376 8.780 ( -2.839 1.527 -9.962) 10.471 8.780 ( 2.839 1.527 -9.962) 10.471 8.901 ( -2.541 -1.430 -2.264) 3.692 8.901 ( 2.541 -1.430 -2.264) 3.692 8.959 ( -6.759 -3.406 -5.855) 9.569 8.959 ( 6.759 -3.406 -5.855) 9.569 9.311 ( -1.968 0.747 8.226) 8.491 9.311 ( 1.968 0.747 8.226) 8.491 9.371 ( -1.657 -3.092 3.874) 5.227 9.371 ( 1.657 -3.092 3.874) 5.227 9.457 ( -2.779 2.167 2.246) 4.179 9.457 ( 2.779 2.167 2.246) 4.179 9.533 ( -3.209 -2.766 1.562) 4.515 9.533 ( 3.209 -2.766 1.562) 4.515 9.595 ( -0.676 1.450 4.393) 4.675 9.595 ( 0.676 1.450 4.393) 4.675 9.709 ( -4.068 -3.820 -6.293) 8.411 9.709 ( 4.068 -3.820 -6.293) 8.411 9.759 ( -2.819 2.725 -2.349) 4.571 9.759 ( 2.819 2.725 -2.349) 4.571 9.835 ( -6.316 -2.287 -3.027) 7.368 9.835 ( 6.316 -2.287 -3.027) 7.368 9.946 ( -2.094 -2.759 -1.799) 3.903 9.946 ( 2.094 -2.759 -1.799) 3.903 9.999 ( -4.142 -5.615 -5.049) 8.613 9.999 ( 4.142 -5.615 -5.049) 8.613 10.110 ( -5.364 3.460 1.836) 6.642 10.110 ( 5.364 3.460 1.836) 6.642 10.181 ( -3.751 -1.559 -3.718) 5.506 10.181 ( 3.751 -1.559 -3.718) 5.506 10.381 ( -0.989 -1.130 0.028) 1.502 10.381 ( 0.989 -1.130 0.028) 1.502 10.446 ( -1.134 -5.560 -5.139) 7.655 10.446 ( 1.134 -5.560 -5.139) 7.655 10.913 ( -2.223 -1.146 2.567) 3.584 10.913 ( 2.223 -1.146 2.567) 3.584 10.937 ( -1.441 -3.318 1.408) 3.882 10.937 ( 1.441 -3.318 1.408) 3.882 11.077 ( -1.434 1.875 -0.063) 2.361 11.077 ( 1.434 1.875 -0.063) 2.361 11.088 ( -1.236 0.440 0.574) 1.433 11.088 ( 1.236 0.440 0.574) 1.433 11.242 ( -3.680 2.116 2.421) 4.887 11.242 ( 3.680 2.116 2.421) 4.887 11.266 ( -1.378 2.650 3.141) 4.335 11.266 ( 1.378 2.650 3.141) 4.335 11.452 ( -1.758 -1.271 -5.491) 5.904 11.452 ( 1.758 -1.271 -5.491) 5.904 11.497 ( -0.655 -3.461 -6.891) 7.739 11.497 ( 0.655 -3.461 -6.891) 7.739 11.667 ( -0.219 2.791 4.662) 5.438 11.667 ( 0.219 2.791 4.662) 5.438 11.717 ( -1.038 -0.970 -0.066) 1.422 11.717 ( 1.038 -0.970 -0.066) 1.422 11.951 ( -2.243 3.971 1.471) 4.792 11.951 ( 2.243 3.971 1.471) 4.792 12.000 ( -2.807 -0.309 -2.722) 3.922 12.000 ( 2.807 -0.309 -2.722) 3.922 12.333 ( -2.220 5.557 0.901) 6.051 12.333 ( 2.220 5.557 0.901) 6.051 12.362 ( -2.855 5.889 -1.563) 6.729 12.362 ( 2.855 5.889 -1.563) 6.729 12.477 ( -3.051 -4.747 1.517) 5.843 12.477 ( 3.051 -4.747 1.517) 5.843 12.500 ( -2.554 -4.584 -0.785) 5.306 12.500 ( 2.554 -4.584 -0.785) 5.306 12.811 ( -0.467 1.210 3.221) 3.472 12.811 ( 0.467 1.210 3.221) 3.472 12.840 ( -0.959 -0.428 2.742) 2.936 12.840 ( 0.959 -0.428 2.742) 2.936 12.907 ( -0.939 1.081 -0.363) 1.477 12.907 ( 0.939 1.081 -0.363) 1.477 12.960 ( -1.419 -1.511 -1.019) 2.310 12.960 ( 1.419 -1.511 -1.019) 2.310 13.124 ( -2.134 3.156 2.153) 4.376 13.124 ( 2.134 3.156 2.153) 4.376 13.192 ( -3.361 0.001 0.311) 3.376 13.192 ( 3.361 0.001 0.311) 3.376 13.290 ( -2.654 -1.418 -1.135) 3.216 13.290 ( 2.654 -1.418 -1.135) 3.216 13.362 ( -3.861 -4.883 -4.100) 7.454 13.362 ( 3.861 -4.883 -4.100) 7.454 13.579 ( -1.940 3.975 3.119) 5.412 13.579 ( 1.940 3.975 3.119) 5.412 13.641 ( -1.780 0.037 -0.872) 1.982 13.641 ( 1.780 0.037 -0.872) 1.982 13.791 ( -1.508 -1.211 -2.306) 3.010 13.791 ( 1.508 -1.211 -2.306) 3.010 13.836 ( -2.100 -3.617 -4.783) 6.354 13.836 ( 2.100 -3.617 -4.783) 6.354 14.325 ( -3.136 5.530 5.080) 8.138 14.325 ( 3.136 5.530 5.080) 8.138 14.389 ( -1.499 4.183 0.951) 4.545 14.389 ( 1.499 4.183 0.951) 4.545 14.485 ( -0.679 0.124 2.154) 2.262 14.485 ( 0.679 0.124 2.154) 2.262 14.570 ( -2.805 -3.114 -3.707) 5.596 14.570 ( 2.805 -3.114 -3.707) 5.596 14.885 ( -1.850 2.111 1.441) 3.155 14.885 ( 1.850 2.111 1.441) 3.155 14.920 ( -1.260 -0.220 -1.417) 1.909 14.920 ( 1.260 -0.220 -1.417) 1.909 15.152 ( -3.086 0.132 1.530) 3.447 15.152 ( 3.086 0.132 1.530) 3.447 15.225 ( -2.538 -5.366 -4.222) 7.284 15.225 ( 2.538 -5.366 -4.222) 7.284 15.716 ( -2.964 0.019 3.534) 4.612 15.716 ( 2.964 0.019 3.534) 4.612 15.723 ( -0.685 -0.479 1.768) 1.956 15.723 ( 0.685 -0.479 1.768) 1.956 15.841 ( -4.570 -0.216 1.500) 4.815 15.841 ( 4.570 -0.216 1.500) 4.815 15.884 ( -4.274 -3.053 -1.130) 5.373 15.884 ( 4.274 -3.053 -1.130) 5.373 16.150 ( -1.842 2.740 5.791) 6.665 16.150 ( 1.842 2.740 5.791) 6.665 16.204 ( -5.508 -1.361 1.863) 5.972 16.204 ( 5.508 -1.361 1.863) 5.972 16.348 ( -2.759 3.007 -3.484) 5.366 16.348 ( 2.759 3.007 -3.484) 5.366 16.404 ( -4.989 -1.916 -6.709) 8.577 16.404 ( 4.989 -1.916 -6.709) 8.577 16.635 ( -1.805 3.175 1.614) 3.993 16.635 ( 1.805 3.175 1.614) 3.993 16.670 ( -1.693 1.508 -0.600) 2.346 16.670 ( 1.693 1.508 -0.600) 2.346 16.821 ( -2.879 1.859 0.026) 3.427 16.821 ( 2.879 1.859 0.026) 3.427 16.874 ( -2.014 -1.491 -3.004) 3.912 16.874 ( 2.014 -1.491 -3.004) 3.912 17.041 ( -0.736 0.808 2.887) 3.087 17.041 ( 0.736 0.808 2.887) 3.087 17.102 ( -1.393 -3.323 0.010) 3.603 17.102 ( 1.393 -3.323 0.010) 3.603 17.182 ( -0.822 -0.192 -0.970) 1.286 17.182 ( 0.822 -0.192 -0.970) 1.286 17.206 ( -0.478 -1.927 -1.778) 2.665 17.206 ( 0.478 -1.927 -1.778) 2.665 17.556 ( -2.521 2.867 1.880) 4.256 17.556 ( 2.521 2.867 1.880) 4.256 17.606 ( -4.092 0.985 -2.335) 4.814 17.606 ( 4.092 0.985 -2.335) 4.814 17.632 ( -3.209 -3.174 2.115) 4.984 17.632 ( 3.209 -3.174 2.115) 4.984 17.694 ( -5.653 -4.281 -2.531) 7.530 17.694 ( 5.653 -4.281 -2.531) 7.530 18.066 ( -2.600 2.086 3.655) 4.947 18.066 ( 2.600 2.086 3.655) 4.947 18.095 ( -3.056 0.055 1.334) 3.335 18.095 ( 3.056 0.055 1.334) 3.335 18.236 ( -3.421 6.024 5.051) 8.573 18.236 ( 3.421 6.024 5.051) 8.573 18.309 ( -3.472 0.462 -0.604) 3.554 18.309 ( 3.472 0.462 -0.604) 3.554 18.629 ( -3.219 3.453 7.205) 8.614 18.629 ( 3.219 3.453 7.205) 8.614 18.699 ( -7.362 -1.772 5.522) 9.371 18.699 ( 7.362 -1.772 5.522) 9.371 18.812 ( -7.930 1.593 -4.025) 9.035 18.812 ( 7.930 1.593 -4.025) 9.035 18.885 ( -8.980 -3.289 -5.986) 11.282 18.885 ( 8.980 -3.289 -5.986) 11.282 19.505 ( -3.510 2.316 1.165) 4.364 19.505 ( 3.510 2.316 1.165) 4.364 19.515 ( -3.279 1.496 0.195) 3.610 19.515 ( 3.279 1.496 0.195) 3.610 19.977 ( -2.822 0.857 0.355) 2.971 19.977 ( 2.822 0.857 0.355) 2.971 19.998 ( -1.862 -1.021 -1.592) 2.654 19.998 ( 1.862 -1.021 -1.592) 2.654 21.106 ( -4.725 -0.200 0.582) 4.765 21.106 ( 4.725 -0.200 0.582) 4.765 21.136 ( -1.922 -2.110 -1.002) 3.025 21.136 ( 1.922 -2.110 -1.002) 3.025 21.195 ( -3.833 -1.735 -3.053) 5.198 21.195 ( 3.833 -1.735 -3.053) 5.198 21.221 ( -4.717 -3.822 -4.515) 7.566 21.221 ( 4.717 -3.822 -4.515) 7.566 =================== 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 3/36000 10.0 4279.660 1072.940 1326.909 0.000 0.000 0.000 3/36000 20.0 3153.368 1973.970 1984.310 0.000 0.000 0.000 3/36000 30.0 1513.869 1202.603 1150.292 0.000 0.000 0.000 3/36000 40.0 777.031 646.278 616.357 0.000 0.000 0.000 3/36000 50.0 412.241 343.259 328.743 0.000 0.000 0.000 3/36000 60.0 234.047 193.689 185.949 0.000 0.000 0.000 3/36000 70.0 143.644 118.337 113.689 0.000 0.000 0.000 3/36000 80.0 94.758 77.873 74.809 0.000 0.000 0.000 3/36000 90.0 66.473 54.565 52.404 0.000 0.000 0.000 3/36000 100.0 49.057 40.252 38.648 0.000 0.000 0.000 3/36000 110.0 37.740 30.962 29.725 0.000 0.000 0.000 3/36000 120.0 30.039 24.645 23.660 0.000 0.000 0.000 3/36000 130.0 24.590 20.177 19.371 0.000 0.000 0.000 3/36000 140.0 20.604 16.907 16.234 0.000 0.000 0.000 3/36000 150.0 17.604 14.446 13.873 0.000 0.000 0.000 3/36000 160.0 15.290 12.547 12.052 0.000 0.000 0.000 3/36000 170.0 13.466 11.050 10.617 0.000 0.000 0.000 3/36000 180.0 12.001 9.848 9.464 0.000 0.000 0.000 3/36000 190.0 10.805 8.867 8.522 0.000 0.000 0.000 3/36000 200.0 9.815 8.054 7.743 0.000 0.000 0.000 3/36000 210.0 8.985 7.372 7.088 0.000 0.000 0.000 3/36000 220.0 8.280 6.793 6.533 0.000 0.000 0.000 3/36000 230.0 7.675 6.296 6.057 0.000 0.000 0.000 3/36000 240.0 7.152 5.866 5.644 0.000 0.000 0.000 3/36000 250.0 6.695 5.491 5.284 0.000 0.000 0.000 3/36000 260.0 6.294 5.161 4.968 0.000 0.000 0.000 3/36000 270.0 5.938 4.869 4.687 0.000 0.000 0.000 3/36000 280.0 5.621 4.608 4.437 0.000 0.000 0.000 3/36000 290.0 5.337 4.375 4.213 0.000 0.000 0.000 3/36000 300.0 5.081 4.164 4.011 0.000 0.000 0.000 3/36000 310.0 4.849 3.974 3.828 0.000 0.000 0.000 3/36000 320.0 4.638 3.801 3.661 0.000 0.000 0.000 3/36000 330.0 4.445 3.642 3.509 0.000 0.000 0.000 3/36000 340.0 4.268 3.497 3.370 0.000 0.000 0.000 3/36000 350.0 4.105 3.363 3.241 0.000 0.000 0.000 3/36000 360.0 3.955 3.240 3.123 0.000 0.000 0.000 3/36000 370.0 3.816 3.126 3.013 0.000 0.000 0.000 3/36000 380.0 3.686 3.019 2.911 0.000 0.000 0.000 3/36000 390.0 3.566 2.921 2.816 0.000 0.000 0.000 3/36000 400.0 3.453 2.828 2.727 0.000 0.000 0.000 3/36000 410.0 3.348 2.742 2.644 0.000 0.000 0.000 3/36000 420.0 3.249 2.661 2.566 0.000 0.000 0.000 3/36000 430.0 3.157 2.585 2.492 0.000 0.000 0.000 3/36000 440.0 3.069 2.513 2.423 0.000 0.000 0.000 3/36000 450.0 2.987 2.445 2.358 0.000 0.000 0.000 3/36000 460.0 2.909 2.381 2.297 0.000 0.000 0.000 3/36000 470.0 2.835 2.321 2.238 0.000 0.000 0.000 3/36000 480.0 2.765 2.263 2.183 0.000 0.000 0.000 3/36000 490.0 2.699 2.209 2.131 0.000 0.000 0.000 3/36000 500.0 2.635 2.157 2.081 0.000 0.000 0.000 3/36000 510.0 2.575 2.108 2.033 0.000 0.000 0.000 3/36000 520.0 2.518 2.061 1.988 0.000 0.000 0.000 3/36000 530.0 2.463 2.016 1.945 0.000 0.000 0.000 3/36000 540.0 2.411 1.973 1.904 0.000 0.000 0.000 3/36000 550.0 2.361 1.932 1.864 0.000 0.000 0.000 3/36000 560.0 2.313 1.892 1.826 0.000 0.000 0.000 3/36000 570.0 2.267 1.855 1.790 0.000 0.000 0.000 3/36000 580.0 2.223 1.819 1.755 0.000 0.000 0.000 3/36000 590.0 2.180 1.784 1.722 0.000 0.000 0.000 3/36000 600.0 2.140 1.751 1.690 0.000 0.000 0.000 3/36000 610.0 2.101 1.719 1.659 0.000 0.000 0.000 3/36000 620.0 2.063 1.688 1.629 0.000 0.000 0.000 3/36000 630.0 2.027 1.658 1.600 0.000 0.000 0.000 3/36000 640.0 1.992 1.629 1.573 0.000 0.000 0.000 3/36000 650.0 1.958 1.602 1.546 0.000 0.000 0.000 3/36000 660.0 1.925 1.575 1.520 0.000 0.000 0.000 3/36000 670.0 1.894 1.549 1.495 0.000 0.000 0.000 3/36000 680.0 1.863 1.524 1.471 0.000 0.000 0.000 3/36000 690.0 1.834 1.500 1.448 0.000 0.000 0.000 3/36000 700.0 1.805 1.477 1.426 0.000 0.000 0.000 3/36000 710.0 1.778 1.454 1.404 0.000 0.000 0.000 3/36000 720.0 1.751 1.432 1.383 0.000 0.000 0.000 3/36000 730.0 1.725 1.411 1.362 0.000 0.000 0.000 3/36000 740.0 1.700 1.390 1.342 0.000 0.000 0.000 3/36000 750.0 1.676 1.370 1.323 0.000 0.000 0.000 3/36000 760.0 1.652 1.351 1.304 0.000 0.000 0.000 3/36000 770.0 1.629 1.332 1.286 0.000 0.000 0.000 3/36000 780.0 1.607 1.314 1.269 0.000 0.000 0.000 3/36000 790.0 1.585 1.296 1.251 0.000 0.000 0.000 3/36000 800.0 1.564 1.279 1.235 0.000 0.000 0.000 3/36000 810.0 1.543 1.262 1.218 0.000 0.000 0.000 3/36000 820.0 1.523 1.246 1.203 0.000 0.000 0.000 3/36000 830.0 1.504 1.230 1.187 0.000 0.000 0.000 3/36000 840.0 1.485 1.214 1.172 0.000 0.000 0.000 3/36000 850.0 1.466 1.199 1.158 0.000 0.000 0.000 3/36000 860.0 1.448 1.184 1.143 0.000 0.000 0.000 3/36000 870.0 1.431 1.170 1.130 0.000 0.000 0.000 3/36000 880.0 1.413 1.156 1.116 0.000 0.000 0.000 3/36000 890.0 1.397 1.142 1.103 0.000 0.000 0.000 3/36000 900.0 1.380 1.129 1.090 0.000 0.000 0.000 3/36000 910.0 1.364 1.116 1.077 0.000 0.000 0.000 3/36000 920.0 1.349 1.103 1.065 0.000 0.000 0.000 3/36000 930.0 1.334 1.090 1.053 0.000 0.000 0.000 3/36000 940.0 1.319 1.078 1.041 0.000 0.000 0.000 3/36000 950.0 1.304 1.066 1.030 0.000 0.000 0.000 3/36000 960.0 1.290 1.055 1.019 0.000 0.000 0.000 3/36000 970.0 1.276 1.043 1.008 0.000 0.000 0.000 3/36000 980.0 1.262 1.032 0.997 0.000 0.000 0.000 3/36000 990.0 1.249 1.021 0.986 0.000 0.000 0.000 3/36000 1000.0 1.236 1.011 0.976 0.000 0.000 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m655.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:56:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|