----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:52:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.078778030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 19.379944120000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.050236770000000 Atomic positions (fractional): *1 F 0.49860103502130 0.49903988228443 0.25388421338250 18.998 2 F 0.00139896497870 0.50096011771557 0.75388421338250 18.998 3 F 0.99860103502130 0.00096011771557 0.24611578661750 18.998 4 F 0.50139896497870 0.99903988228443 0.74611578661750 18.998 5 F 0.50139896497870 0.50096011771557 0.74611578661750 18.998 6 F 0.99860103502130 0.49903988228443 0.24611578661750 18.998 7 F 0.00139896497870 0.99903988228443 0.75388421338250 18.998 8 F 0.49860103502130 0.00096011771557 0.25388421338250 18.998 *9 Se 0.25921917848650 0.37024364073495 0.48837701876699 78.960 10 Se 0.24078082151350 0.62975635926505 0.98837701876699 78.960 11 Se 0.75921917848650 0.12975635926505 0.01162298123302 78.960 12 Se 0.74078082151350 0.87024364073495 0.51162298123301 78.960 *13 Se 0.72669366880034 0.25000000000000 0.50069639726931 78.960 14 Se 0.77330633119966 0.75000000000000 0.00069639726931 78.960 15 Se 0.22669366880034 0.25000000000000 0.99930360273069 78.960 16 Se 0.27330633119966 0.75000000000000 0.49930360273069 78.960 17 Se 0.25921917848650 0.12975635926505 0.48837701876699 78.960 18 Se 0.24078082151350 0.87024364073495 0.98837701876699 78.960 19 Se 0.75921917848650 0.37024364073495 0.01162298123302 78.960 20 Se 0.74078082151350 0.62975635926505 0.51162298123301 78.960 *21 Sr 0.75494477346804 0.06971842212208 0.50480202401614 87.620 22 Sr 0.74505522653196 0.93028157787792 0.00480202401614 87.620 23 Sr 0.25494477346804 0.43028157787792 0.99519797598386 87.620 24 Sr 0.24505522653196 0.56971842212208 0.49519797598386 87.620 25 Sr 0.75494477346804 0.43028157787792 0.50480202401614 87.620 26 Sr 0.74505522653196 0.56971842212208 0.00480202401614 87.620 27 Sr 0.25494477346804 0.06971842212208 0.99519797598386 87.620 28 Sr 0.24505522653196 0.93028157787792 0.49519797598386 87.620 *29 Sn 0.14256098075516 0.25000000000000 0.57902084377905 118.710 30 Sn 0.35743901924484 0.75000000000000 0.07902084377905 118.710 31 Sn 0.64256098075516 0.25000000000000 0.92097915622095 118.710 32 Sn 0.85743901924484 0.75000000000000 0.42097915622095 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.078778030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 19.379944120000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.050236770000000 Atomic positions (fractional): *1 F 0.49860103502130 0.49903988228443 0.25388421338250 18.998 > 1 2 F 0.00139896497870 0.50096011771557 0.75388421338250 18.998 > 2 3 F 0.99860103502130 0.00096011771557 0.24611578661750 18.998 > 3 4 F 0.50139896497870 0.99903988228443 0.74611578661750 18.998 > 4 5 F 0.50139896497870 0.50096011771557 0.74611578661750 18.998 > 5 6 F 0.99860103502130 0.49903988228443 0.24611578661750 18.998 > 6 7 F 0.00139896497870 0.99903988228443 0.75388421338250 18.998 > 7 8 F 0.49860103502130 0.00096011771557 0.25388421338250 18.998 > 8 *9 Se 0.25921917848650 0.37024364073495 0.48837701876699 78.960 > 9 10 Se 0.24078082151350 0.62975635926505 0.98837701876699 78.960 > 10 11 Se 0.75921917848650 0.12975635926505 0.01162298123302 78.960 > 11 12 Se 0.74078082151350 0.87024364073495 0.51162298123301 78.960 > 12 *13 Se 0.72669366880034 0.25000000000000 0.50069639726931 78.960 > 13 14 Se 0.77330633119966 0.75000000000000 0.00069639726931 78.960 > 14 15 Se 0.22669366880034 0.25000000000000 0.99930360273069 78.960 > 15 16 Se 0.27330633119966 0.75000000000000 0.49930360273069 78.960 > 16 17 Se 0.25921917848650 0.12975635926505 0.48837701876699 78.960 > 17 18 Se 0.24078082151350 0.87024364073495 0.98837701876699 78.960 > 18 19 Se 0.75921917848650 0.37024364073495 0.01162298123302 78.960 > 19 20 Se 0.74078082151350 0.62975635926505 0.51162298123301 78.960 > 20 *21 Sr 0.75494477346804 0.06971842212208 0.50480202401614 87.620 > 21 22 Sr 0.74505522653196 0.93028157787792 0.00480202401614 87.620 > 22 23 Sr 0.25494477346804 0.43028157787792 0.99519797598386 87.620 > 23 24 Sr 0.24505522653196 0.56971842212208 0.49519797598386 87.620 > 24 25 Sr 0.75494477346804 0.43028157787792 0.50480202401614 87.620 > 25 26 Sr 0.74505522653196 0.56971842212208 0.00480202401614 87.620 > 26 27 Sr 0.25494477346804 0.06971842212208 0.99519797598386 87.620 > 27 28 Sr 0.24505522653196 0.93028157787792 0.49519797598386 87.620 > 28 *29 Sn 0.14256098075516 0.25000000000000 0.57902084377905 118.710 > 29 30 Sn 0.35743901924484 0.75000000000000 0.07902084377905 118.710 > 30 31 Sn 0.64256098075516 0.25000000000000 0.92097915622095 118.710 > 31 32 Sn 0.85743901924484 0.75000000000000 0.42097915622095 118.710 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.157556059999999 0.000000000000000 0.000000000000000 b 0.000000000000000 19.379944120000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.100473539999999 Atomic positions (fractional): *1 F 0.24930051751065 0.49903988228443 0.12694210669125 18.998 > 1 2 F 0.74930051751065 0.49903988228443 0.12694210669125 18.998 > 1 3 F 0.24930051751065 0.49903988228443 0.62694210669125 18.998 > 1 4 F 0.74930051751065 0.49903988228443 0.62694210669125 18.998 > 1 5 F 0.00069948248935 0.50096011771557 0.37694210669125 18.998 > 2 6 F 0.50069948248935 0.50096011771557 0.37694210669125 18.998 > 2 7 F 0.00069948248935 0.50096011771557 0.87694210669125 18.998 > 2 8 F 0.50069948248935 0.50096011771557 0.87694210669125 18.998 > 2 9 F 0.49930051751065 0.00096011771557 0.12305789330875 18.998 > 3 10 F 0.99930051751065 0.00096011771557 0.12305789330875 18.998 > 3 11 F 0.49930051751065 0.00096011771557 0.62305789330875 18.998 > 3 12 F 0.99930051751065 0.00096011771557 0.62305789330875 18.998 > 3 13 F 0.25069948248935 0.99903988228443 0.37305789330875 18.998 > 4 14 F 0.75069948248935 0.99903988228443 0.37305789330875 18.998 > 4 15 F 0.25069948248935 0.99903988228443 0.87305789330875 18.998 > 4 16 F 0.75069948248935 0.99903988228443 0.87305789330875 18.998 > 4 17 F 0.25069948248935 0.50096011771557 0.37305789330875 18.998 > 5 18 F 0.75069948248935 0.50096011771557 0.37305789330875 18.998 > 5 19 F 0.25069948248935 0.50096011771557 0.87305789330875 18.998 > 5 20 F 0.75069948248935 0.50096011771557 0.87305789330875 18.998 > 5 21 F 0.49930051751065 0.49903988228443 0.12305789330875 18.998 > 6 22 F 0.99930051751065 0.49903988228443 0.12305789330875 18.998 > 6 23 F 0.49930051751065 0.49903988228443 0.62305789330875 18.998 > 6 24 F 0.99930051751065 0.49903988228443 0.62305789330875 18.998 > 6 25 F 0.00069948248935 0.99903988228443 0.37694210669125 18.998 > 7 26 F 0.50069948248935 0.99903988228443 0.37694210669125 18.998 > 7 27 F 0.00069948248935 0.99903988228443 0.87694210669125 18.998 > 7 28 F 0.50069948248935 0.99903988228443 0.87694210669125 18.998 > 7 29 F 0.24930051751065 0.00096011771557 0.12694210669125 18.998 > 8 30 F 0.74930051751065 0.00096011771557 0.12694210669125 18.998 > 8 31 F 0.24930051751065 0.00096011771557 0.62694210669125 18.998 > 8 32 F 0.74930051751065 0.00096011771557 0.62694210669125 18.998 > 8 *33 Se 0.12960958924325 0.37024364073495 0.24418850938349 78.960 > 9 34 Se 0.62960958924325 0.37024364073495 0.24418850938349 78.960 > 9 35 Se 0.12960958924325 0.37024364073495 0.74418850938349 78.960 > 9 36 Se 0.62960958924325 0.37024364073495 0.74418850938349 78.960 > 9 37 Se 0.12039041075675 0.62975635926505 0.49418850938349 78.960 > 10 38 Se 0.62039041075675 0.62975635926505 0.49418850938349 78.960 > 10 39 Se 0.12039041075675 0.62975635926505 0.99418850938349 78.960 > 10 40 Se 0.62039041075675 0.62975635926505 0.99418850938349 78.960 > 10 41 Se 0.37960958924325 0.12975635926505 0.00581149061651 78.960 > 11 42 Se 0.87960958924325 0.12975635926505 0.00581149061651 78.960 > 11 43 Se 0.37960958924325 0.12975635926505 0.50581149061651 78.960 > 11 44 Se 0.87960958924325 0.12975635926505 0.50581149061651 78.960 > 11 45 Se 0.37039041075675 0.87024364073495 0.25581149061651 78.960 > 12 46 Se 0.87039041075675 0.87024364073495 0.25581149061651 78.960 > 12 47 Se 0.37039041075675 0.87024364073495 0.75581149061651 78.960 > 12 48 Se 0.87039041075675 0.87024364073495 0.75581149061651 78.960 > 12 *49 Se 0.36334683440017 0.25000000000000 0.25034819863466 78.960 > 13 50 Se 0.86334683440017 0.25000000000000 0.25034819863466 78.960 > 13 51 Se 0.36334683440017 0.25000000000000 0.75034819863466 78.960 > 13 52 Se 0.86334683440017 0.25000000000000 0.75034819863466 78.960 > 13 53 Se 0.38665316559983 0.75000000000000 0.00034819863466 78.960 > 14 54 Se 0.88665316559983 0.75000000000000 0.00034819863466 78.960 > 14 55 Se 0.38665316559983 0.75000000000000 0.50034819863466 78.960 > 14 56 Se 0.88665316559983 0.75000000000000 0.50034819863466 78.960 > 14 57 Se 0.11334683440017 0.25000000000000 0.49965180136534 78.960 > 15 58 Se 0.61334683440017 0.25000000000000 0.49965180136534 78.960 > 15 59 Se 0.11334683440017 0.25000000000000 0.99965180136534 78.960 > 15 60 Se 0.61334683440017 0.25000000000000 0.99965180136534 78.960 > 15 61 Se 0.13665316559983 0.75000000000000 0.24965180136534 78.960 > 16 62 Se 0.63665316559983 0.75000000000000 0.24965180136534 78.960 > 16 63 Se 0.13665316559983 0.75000000000000 0.74965180136534 78.960 > 16 64 Se 0.63665316559983 0.75000000000000 0.74965180136534 78.960 > 16 65 Se 0.12960958924325 0.12975635926505 0.24418850938349 78.960 > 17 66 Se 0.62960958924325 0.12975635926505 0.24418850938349 78.960 > 17 67 Se 0.12960958924325 0.12975635926505 0.74418850938349 78.960 > 17 68 Se 0.62960958924325 0.12975635926505 0.74418850938349 78.960 > 17 69 Se 0.12039041075675 0.87024364073495 0.49418850938349 78.960 > 18 70 Se 0.62039041075675 0.87024364073495 0.49418850938349 78.960 > 18 71 Se 0.12039041075675 0.87024364073495 0.99418850938349 78.960 > 18 72 Se 0.62039041075675 0.87024364073495 0.99418850938349 78.960 > 18 73 Se 0.37960958924325 0.37024364073495 0.00581149061651 78.960 > 19 74 Se 0.87960958924325 0.37024364073495 0.00581149061651 78.960 > 19 75 Se 0.37960958924325 0.37024364073495 0.50581149061651 78.960 > 19 76 Se 0.87960958924325 0.37024364073495 0.50581149061651 78.960 > 19 77 Se 0.37039041075675 0.62975635926505 0.25581149061651 78.960 > 20 78 Se 0.87039041075675 0.62975635926505 0.25581149061651 78.960 > 20 79 Se 0.37039041075675 0.62975635926505 0.75581149061651 78.960 > 20 80 Se 0.87039041075675 0.62975635926505 0.75581149061651 78.960 > 20 *81 Sr 0.37747238673402 0.06971842212208 0.25240101200807 87.620 > 21 82 Sr 0.87747238673402 0.06971842212208 0.25240101200807 87.620 > 21 83 Sr 0.37747238673402 0.06971842212208 0.75240101200807 87.620 > 21 84 Sr 0.87747238673402 0.06971842212208 0.75240101200807 87.620 > 21 85 Sr 0.37252761326598 0.93028157787792 0.00240101200807 87.620 > 22 86 Sr 0.87252761326598 0.93028157787792 0.00240101200807 87.620 > 22 87 Sr 0.37252761326598 0.93028157787792 0.50240101200807 87.620 > 22 88 Sr 0.87252761326598 0.93028157787792 0.50240101200807 87.620 > 22 89 Sr 0.12747238673402 0.43028157787792 0.49759898799193 87.620 > 23 90 Sr 0.62747238673402 0.43028157787792 0.49759898799193 87.620 > 23 91 Sr 0.12747238673402 0.43028157787792 0.99759898799193 87.620 > 23 92 Sr 0.62747238673402 0.43028157787792 0.99759898799193 87.620 > 23 93 Sr 0.12252761326598 0.56971842212208 0.24759898799193 87.620 > 24 94 Sr 0.62252761326598 0.56971842212208 0.24759898799193 87.620 > 24 95 Sr 0.12252761326598 0.56971842212208 0.74759898799193 87.620 > 24 96 Sr 0.62252761326598 0.56971842212208 0.74759898799193 87.620 > 24 97 Sr 0.37747238673402 0.43028157787792 0.25240101200807 87.620 > 25 98 Sr 0.87747238673402 0.43028157787792 0.25240101200807 87.620 > 25 99 Sr 0.37747238673402 0.43028157787792 0.75240101200807 87.620 > 25 100 Sr 0.87747238673402 0.43028157787792 0.75240101200807 87.620 > 25 101 Sr 0.37252761326598 0.56971842212208 0.00240101200807 87.620 > 26 102 Sr 0.87252761326598 0.56971842212208 0.00240101200807 87.620 > 26 103 Sr 0.37252761326598 0.56971842212208 0.50240101200807 87.620 > 26 104 Sr 0.87252761326598 0.56971842212208 0.50240101200807 87.620 > 26 105 Sr 0.12747238673402 0.06971842212208 0.49759898799193 87.620 > 27 106 Sr 0.62747238673402 0.06971842212208 0.49759898799193 87.620 > 27 107 Sr 0.12747238673402 0.06971842212208 0.99759898799193 87.620 > 27 108 Sr 0.62747238673402 0.06971842212208 0.99759898799193 87.620 > 27 109 Sr 0.12252761326598 0.93028157787792 0.24759898799193 87.620 > 28 110 Sr 0.62252761326598 0.93028157787792 0.24759898799193 87.620 > 28 111 Sr 0.12252761326598 0.93028157787792 0.74759898799193 87.620 > 28 112 Sr 0.62252761326598 0.93028157787792 0.74759898799193 87.620 > 28 *113 Sn 0.07128049037758 0.25000000000000 0.28951042188952 118.710 > 29 114 Sn 0.57128049037758 0.25000000000000 0.28951042188952 118.710 > 29 115 Sn 0.07128049037758 0.25000000000000 0.78951042188952 118.710 > 29 116 Sn 0.57128049037758 0.25000000000000 0.78951042188952 118.710 > 29 117 Sn 0.17871950962242 0.75000000000000 0.03951042188952 118.710 > 30 118 Sn 0.67871950962242 0.75000000000000 0.03951042188952 118.710 > 30 119 Sn 0.17871950962242 0.75000000000000 0.53951042188952 118.710 > 30 120 Sn 0.67871950962242 0.75000000000000 0.53951042188952 118.710 > 30 121 Sn 0.32128049037758 0.25000000000000 0.46048957811048 118.710 > 31 122 Sn 0.82128049037758 0.25000000000000 0.46048957811048 118.710 > 31 123 Sn 0.32128049037758 0.25000000000000 0.96048957811048 118.710 > 31 124 Sn 0.82128049037758 0.25000000000000 0.96048957811048 118.710 > 31 125 Sn 0.42871950962242 0.75000000000000 0.21048957811048 118.710 > 32 126 Sn 0.92871950962242 0.75000000000000 0.21048957811048 118.710 > 32 127 Sn 0.42871950962242 0.75000000000000 0.71048957811048 118.710 > 32 128 Sn 0.92871950962242 0.75000000000000 0.71048957811048 118.710 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.3270107 0.0000000 0.0000000 0.0000000 5.1845038 0.0000000 0.0000000 0.0000000 5.7880691 -------------------------- Born effective charges -------------------------- 1 F -1.4565456 -0.0009048 0.0215479 -0.0140148 -2.4921536 0.0046147 0.0975523 0.0171080 -1.4465862 2 F -1.4565456 -0.0009048 -0.0215479 -0.0140148 -2.4921536 -0.0046147 -0.0975523 -0.0171080 -1.4465862 3 F -1.4565456 0.0009048 -0.0215479 0.0140148 -2.4921536 0.0046147 -0.0975523 0.0171080 -1.4465862 4 F -1.4565456 0.0009048 0.0215479 0.0140148 -2.4921536 -0.0046147 0.0975523 -0.0171080 -1.4465862 5 F -1.4565456 -0.0009048 0.0215479 -0.0140148 -2.4921536 0.0046147 0.0975523 0.0171080 -1.4465862 6 F -1.4565456 -0.0009048 -0.0215479 -0.0140148 -2.4921536 -0.0046147 -0.0975523 -0.0171080 -1.4465862 7 F -1.4565456 0.0009048 -0.0215479 0.0140148 -2.4921536 0.0046147 -0.0975523 0.0171080 -1.4465862 8 F -1.4565456 0.0009048 0.0215479 0.0140148 -2.4921536 -0.0046147 0.0975523 -0.0171080 -1.4465862 9 Se -1.9307827 -0.1978251 -0.0313184 -0.1172650 -1.5144060 0.0658094 0.0811299 0.3562931 -1.7946318 10 Se -1.9307827 -0.1978251 0.0313184 -0.1172650 -1.5144060 -0.0658094 -0.0811299 -0.3562931 -1.7946318 11 Se -1.9307827 0.1978251 0.0313184 0.1172650 -1.5144060 0.0658094 -0.0811299 0.3562931 -1.7946318 12 Se -1.9307827 0.1978251 -0.0313184 0.1172650 -1.5144060 -0.0658094 0.0811299 -0.3562931 -1.7946318 13 Se -1.9006458 0.0000000 0.2630436 0.0000000 -0.5988077 0.0000000 0.3229078 0.0000000 -1.6883810 14 Se -1.9006458 0.0000000 -0.2630436 0.0000000 -0.5988077 0.0000000 -0.3229078 0.0000000 -1.6883810 15 Se -1.9006458 0.0000000 -0.2630436 0.0000000 -0.5988077 0.0000000 -0.3229078 0.0000000 -1.6883810 16 Se -1.9006458 0.0000000 0.2630436 0.0000000 -0.5988077 0.0000000 0.3229078 0.0000000 -1.6883810 17 Se -1.9307827 0.1978251 -0.0313184 0.1172650 -1.5144060 -0.0658094 0.0811299 -0.3562931 -1.7946318 18 Se -1.9307827 0.1978251 0.0313184 0.1172650 -1.5144060 0.0658094 -0.0811299 0.3562931 -1.7946318 19 Se -1.9307827 -0.1978251 0.0313184 -0.1172650 -1.5144060 -0.0658094 -0.0811299 -0.3562931 -1.7946318 20 Se -1.9307827 -0.1978251 -0.0313184 -0.1172650 -1.5144060 0.0658094 0.0811299 0.3562931 -1.7946318 21 Sr 2.6234996 0.1115117 0.0005496 -0.0228994 3.3476171 -0.0602275 -0.0232003 0.1472148 2.6092421 22 Sr 2.6234996 0.1115117 -0.0005496 -0.0228994 3.3476171 0.0602275 0.0232003 -0.1472148 2.6092421 23 Sr 2.6234996 -0.1115117 -0.0005496 0.0228994 3.3476171 -0.0602275 0.0232003 0.1472148 2.6092421 24 Sr 2.6234996 -0.1115117 0.0005496 0.0228994 3.3476171 0.0602275 -0.0232003 -0.1472148 2.6092421 25 Sr 2.6234996 -0.1115117 0.0005496 0.0228994 3.3476171 0.0602275 -0.0232003 -0.1472148 2.6092421 26 Sr 2.6234996 -0.1115117 -0.0005496 0.0228994 3.3476171 -0.0602275 0.0232003 0.1472148 2.6092421 27 Sr 2.6234996 0.1115117 -0.0005496 -0.0228994 3.3476171 0.0602275 0.0232003 -0.1472148 2.6092421 28 Sr 2.6234996 0.1115117 0.0005496 -0.0228994 3.3476171 -0.0602275 -0.0232003 0.1472148 2.6092421 29 Sn 3.4283031 0.0000000 0.6328159 0.0000000 1.9166927 0.0000000 -0.2741656 0.0000000 2.9523329 30 Sn 3.4283031 0.0000000 -0.6328159 0.0000000 1.9166927 0.0000000 0.2741656 0.0000000 2.9523329 31 Sn 3.4283031 0.0000000 -0.6328159 0.0000000 1.9166927 0.0000000 0.2741656 0.0000000 2.9523329 32 Sn 3.4283031 0.0000000 0.6328159 0.0000000 1.9166927 0.0000000 -0.2741656 0.0000000 2.9523329 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2416 Number of blocks in projector: 2416 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: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 240 eigenvectors found. (2) Block: 544 / 544 (2) 284 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 534 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 304 Use standard eigh solver. Tree of FC basis block matrices: - (2416, 2379), data: False |-- (304, 299), data: True |-- (304, 299), data: True |-- (304, 299), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (544, 534), data: False |-- (544, 534), data: False |-- (544, 10), data: (544, 20) @ (20, 10) |-- (294, 284), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.021 Solver_block: 100 / 480 - Time: 1.516 Solver_block: 200 / 480 - Time: 0.801 Solver_block: 300 / 480 - Time: 0.886 Solver_block: 400 / 480 - Time: 1.656 Solver_block: 480 / 480 - Time: 0.781 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.917 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2416 Number of blocks in projector: 2416 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: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 240 eigenvectors found. (2) Block: 544 / 544 (2) 284 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 534 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 304 Use standard eigh solver. Tree of FC basis block matrices: - (2416, 2379), data: False |-- (304, 299), data: True |-- (304, 299), data: True |-- (304, 299), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (544, 534), data: False |-- (544, 534), data: False |-- (544, 10), data: (544, 20) @ (20, 10) |-- (294, 284), data: True |-- (250, 240), 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 2026-01-08 02:53:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:53:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.078778030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 19.379944120000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.050236770000000 Atomic positions (fractional): 1 F 0.49860103502130 0.49903988228443 0.25388421338250 18.998 2 F 0.00139896497870 0.50096011771557 0.75388421338250 18.998 3 F 0.99860103502130 0.00096011771557 0.24611578661750 18.998 4 F 0.50139896497870 0.99903988228443 0.74611578661750 18.998 5 F 0.50139896497870 0.50096011771557 0.74611578661750 18.998 6 F 0.99860103502130 0.49903988228443 0.24611578661750 18.998 7 F 0.00139896497870 0.99903988228443 0.75388421338250 18.998 8 F 0.49860103502130 0.00096011771557 0.25388421338250 18.998 9 Se 0.25921917848650 0.37024364073495 0.48837701876699 78.960 10 Se 0.24078082151350 0.62975635926505 0.98837701876699 78.960 11 Se 0.75921917848650 0.12975635926505 0.01162298123302 78.960 12 Se 0.74078082151350 0.87024364073495 0.51162298123301 78.960 13 Se 0.72669366880034 0.25000000000000 0.50069639726931 78.960 14 Se 0.77330633119966 0.75000000000000 0.00069639726931 78.960 15 Se 0.22669366880034 0.25000000000000 0.99930360273069 78.960 16 Se 0.27330633119966 0.75000000000000 0.49930360273069 78.960 17 Se 0.25921917848650 0.12975635926505 0.48837701876699 78.960 18 Se 0.24078082151350 0.87024364073495 0.98837701876699 78.960 19 Se 0.75921917848650 0.37024364073495 0.01162298123302 78.960 20 Se 0.74078082151350 0.62975635926505 0.51162298123301 78.960 21 Sr 0.75494477346804 0.06971842212208 0.50480202401614 87.620 22 Sr 0.74505522653196 0.93028157787792 0.00480202401614 87.620 23 Sr 0.25494477346804 0.43028157787792 0.99519797598386 87.620 24 Sr 0.24505522653196 0.56971842212208 0.49519797598386 87.620 25 Sr 0.75494477346804 0.43028157787792 0.50480202401614 87.620 26 Sr 0.74505522653196 0.56971842212208 0.00480202401614 87.620 27 Sr 0.25494477346804 0.06971842212208 0.99519797598386 87.620 28 Sr 0.24505522653196 0.93028157787792 0.49519797598386 87.620 29 Sn 0.14256098075516 0.25000000000000 0.57902084377905 118.710 30 Sn 0.35743901924484 0.75000000000000 0.07902084377905 118.710 31 Sn 0.64256098075516 0.25000000000000 0.92097915622095 118.710 32 Sn 0.85743901924484 0.75000000000000 0.42097915622095 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.157556059999999 0.000000000000000 0.000000000000000 b 0.000000000000000 19.379944120000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.100473539999999 Atomic positions (fractional): 1 F 0.24930051751065 0.49903988228443 0.12694210669125 18.998 > 1 2 F 0.74930051751065 0.49903988228443 0.12694210669125 18.998 > 1 3 F 0.24930051751065 0.49903988228443 0.62694210669125 18.998 > 1 4 F 0.74930051751065 0.49903988228443 0.62694210669125 18.998 > 1 5 F 0.00069948248935 0.50096011771557 0.37694210669125 18.998 > 5 6 F 0.50069948248935 0.50096011771557 0.37694210669125 18.998 > 5 7 F 0.00069948248935 0.50096011771557 0.87694210669125 18.998 > 5 8 F 0.50069948248935 0.50096011771557 0.87694210669125 18.998 > 5 9 F 0.49930051751065 0.00096011771557 0.12305789330875 18.998 > 9 10 F 0.99930051751065 0.00096011771557 0.12305789330875 18.998 > 9 11 F 0.49930051751065 0.00096011771557 0.62305789330875 18.998 > 9 12 F 0.99930051751065 0.00096011771557 0.62305789330875 18.998 > 9 13 F 0.25069948248935 0.99903988228443 0.37305789330875 18.998 > 13 14 F 0.75069948248935 0.99903988228443 0.37305789330875 18.998 > 13 15 F 0.25069948248935 0.99903988228443 0.87305789330875 18.998 > 13 16 F 0.75069948248935 0.99903988228443 0.87305789330875 18.998 > 13 17 F 0.25069948248935 0.50096011771557 0.37305789330875 18.998 > 17 18 F 0.75069948248935 0.50096011771557 0.37305789330875 18.998 > 17 19 F 0.25069948248935 0.50096011771557 0.87305789330875 18.998 > 17 20 F 0.75069948248935 0.50096011771557 0.87305789330875 18.998 > 17 21 F 0.49930051751065 0.49903988228443 0.12305789330875 18.998 > 21 22 F 0.99930051751065 0.49903988228443 0.12305789330875 18.998 > 21 23 F 0.49930051751065 0.49903988228443 0.62305789330875 18.998 > 21 24 F 0.99930051751065 0.49903988228443 0.62305789330875 18.998 > 21 25 F 0.00069948248935 0.99903988228443 0.37694210669125 18.998 > 25 26 F 0.50069948248935 0.99903988228443 0.37694210669125 18.998 > 25 27 F 0.00069948248935 0.99903988228443 0.87694210669125 18.998 > 25 28 F 0.50069948248935 0.99903988228443 0.87694210669125 18.998 > 25 29 F 0.24930051751065 0.00096011771557 0.12694210669125 18.998 > 29 30 F 0.74930051751065 0.00096011771557 0.12694210669125 18.998 > 29 31 F 0.24930051751065 0.00096011771557 0.62694210669125 18.998 > 29 32 F 0.74930051751065 0.00096011771557 0.62694210669125 18.998 > 29 33 Se 0.12960958924325 0.37024364073495 0.24418850938349 78.960 > 33 34 Se 0.62960958924325 0.37024364073495 0.24418850938349 78.960 > 33 35 Se 0.12960958924325 0.37024364073495 0.74418850938349 78.960 > 33 36 Se 0.62960958924325 0.37024364073495 0.74418850938349 78.960 > 33 37 Se 0.12039041075675 0.62975635926505 0.49418850938349 78.960 > 37 38 Se 0.62039041075675 0.62975635926505 0.49418850938349 78.960 > 37 39 Se 0.12039041075675 0.62975635926505 0.99418850938349 78.960 > 37 40 Se 0.62039041075675 0.62975635926505 0.99418850938349 78.960 > 37 41 Se 0.37960958924325 0.12975635926505 0.00581149061651 78.960 > 41 42 Se 0.87960958924325 0.12975635926505 0.00581149061651 78.960 > 41 43 Se 0.37960958924325 0.12975635926505 0.50581149061651 78.960 > 41 44 Se 0.87960958924325 0.12975635926505 0.50581149061651 78.960 > 41 45 Se 0.37039041075675 0.87024364073495 0.25581149061651 78.960 > 45 46 Se 0.87039041075675 0.87024364073495 0.25581149061651 78.960 > 45 47 Se 0.37039041075675 0.87024364073495 0.75581149061651 78.960 > 45 48 Se 0.87039041075675 0.87024364073495 0.75581149061651 78.960 > 45 49 Se 0.36334683440017 0.25000000000000 0.25034819863466 78.960 > 49 50 Se 0.86334683440017 0.25000000000000 0.25034819863466 78.960 > 49 51 Se 0.36334683440017 0.25000000000000 0.75034819863466 78.960 > 49 52 Se 0.86334683440017 0.25000000000000 0.75034819863466 78.960 > 49 53 Se 0.38665316559983 0.75000000000000 0.00034819863466 78.960 > 53 54 Se 0.88665316559983 0.75000000000000 0.00034819863466 78.960 > 53 55 Se 0.38665316559983 0.75000000000000 0.50034819863466 78.960 > 53 56 Se 0.88665316559983 0.75000000000000 0.50034819863466 78.960 > 53 57 Se 0.11334683440017 0.25000000000000 0.49965180136534 78.960 > 57 58 Se 0.61334683440017 0.25000000000000 0.49965180136534 78.960 > 57 59 Se 0.11334683440017 0.25000000000000 0.99965180136534 78.960 > 57 60 Se 0.61334683440017 0.25000000000000 0.99965180136534 78.960 > 57 61 Se 0.13665316559983 0.75000000000000 0.24965180136534 78.960 > 61 62 Se 0.63665316559983 0.75000000000000 0.24965180136534 78.960 > 61 63 Se 0.13665316559983 0.75000000000000 0.74965180136534 78.960 > 61 64 Se 0.63665316559983 0.75000000000000 0.74965180136534 78.960 > 61 65 Se 0.12960958924325 0.12975635926505 0.24418850938349 78.960 > 65 66 Se 0.62960958924325 0.12975635926505 0.24418850938349 78.960 > 65 67 Se 0.12960958924325 0.12975635926505 0.74418850938349 78.960 > 65 68 Se 0.62960958924325 0.12975635926505 0.74418850938349 78.960 > 65 69 Se 0.12039041075675 0.87024364073495 0.49418850938349 78.960 > 69 70 Se 0.62039041075675 0.87024364073495 0.49418850938349 78.960 > 69 71 Se 0.12039041075675 0.87024364073495 0.99418850938349 78.960 > 69 72 Se 0.62039041075675 0.87024364073495 0.99418850938349 78.960 > 69 73 Se 0.37960958924325 0.37024364073495 0.00581149061651 78.960 > 73 74 Se 0.87960958924325 0.37024364073495 0.00581149061651 78.960 > 73 75 Se 0.37960958924325 0.37024364073495 0.50581149061651 78.960 > 73 76 Se 0.87960958924325 0.37024364073495 0.50581149061651 78.960 > 73 77 Se 0.37039041075675 0.62975635926505 0.25581149061651 78.960 > 77 78 Se 0.87039041075675 0.62975635926505 0.25581149061651 78.960 > 77 79 Se 0.37039041075675 0.62975635926505 0.75581149061651 78.960 > 77 80 Se 0.87039041075675 0.62975635926505 0.75581149061651 78.960 > 77 81 Sr 0.37747238673402 0.06971842212208 0.25240101200807 87.620 > 81 82 Sr 0.87747238673402 0.06971842212208 0.25240101200807 87.620 > 81 83 Sr 0.37747238673402 0.06971842212208 0.75240101200807 87.620 > 81 84 Sr 0.87747238673402 0.06971842212208 0.75240101200807 87.620 > 81 85 Sr 0.37252761326598 0.93028157787792 0.00240101200807 87.620 > 85 86 Sr 0.87252761326598 0.93028157787792 0.00240101200807 87.620 > 85 87 Sr 0.37252761326598 0.93028157787792 0.50240101200807 87.620 > 85 88 Sr 0.87252761326598 0.93028157787792 0.50240101200807 87.620 > 85 89 Sr 0.12747238673402 0.43028157787792 0.49759898799193 87.620 > 89 90 Sr 0.62747238673402 0.43028157787792 0.49759898799193 87.620 > 89 91 Sr 0.12747238673402 0.43028157787792 0.99759898799193 87.620 > 89 92 Sr 0.62747238673402 0.43028157787792 0.99759898799193 87.620 > 89 93 Sr 0.12252761326598 0.56971842212208 0.24759898799193 87.620 > 93 94 Sr 0.62252761326598 0.56971842212208 0.24759898799193 87.620 > 93 95 Sr 0.12252761326598 0.56971842212208 0.74759898799193 87.620 > 93 96 Sr 0.62252761326598 0.56971842212208 0.74759898799193 87.620 > 93 97 Sr 0.37747238673402 0.43028157787792 0.25240101200807 87.620 > 97 98 Sr 0.87747238673402 0.43028157787792 0.25240101200807 87.620 > 97 99 Sr 0.37747238673402 0.43028157787792 0.75240101200807 87.620 > 97 100 Sr 0.87747238673402 0.43028157787792 0.75240101200807 87.620 > 97 101 Sr 0.37252761326598 0.56971842212208 0.00240101200807 87.620 > 101 102 Sr 0.87252761326598 0.56971842212208 0.00240101200807 87.620 > 101 103 Sr 0.37252761326598 0.56971842212208 0.50240101200807 87.620 > 101 104 Sr 0.87252761326598 0.56971842212208 0.50240101200807 87.620 > 101 105 Sr 0.12747238673402 0.06971842212208 0.49759898799193 87.620 > 105 106 Sr 0.62747238673402 0.06971842212208 0.49759898799193 87.620 > 105 107 Sr 0.12747238673402 0.06971842212208 0.99759898799193 87.620 > 105 108 Sr 0.62747238673402 0.06971842212208 0.99759898799193 87.620 > 105 109 Sr 0.12252761326598 0.93028157787792 0.24759898799193 87.620 > 109 110 Sr 0.62252761326598 0.93028157787792 0.24759898799193 87.620 > 109 111 Sr 0.12252761326598 0.93028157787792 0.74759898799193 87.620 > 109 112 Sr 0.62252761326598 0.93028157787792 0.74759898799193 87.620 > 109 113 Sn 0.07128049037758 0.25000000000000 0.28951042188952 118.710 > 113 114 Sn 0.57128049037758 0.25000000000000 0.28951042188952 118.710 > 113 115 Sn 0.07128049037758 0.25000000000000 0.78951042188952 118.710 > 113 116 Sn 0.57128049037758 0.25000000000000 0.78951042188952 118.710 > 113 117 Sn 0.17871950962242 0.75000000000000 0.03951042188952 118.710 > 117 118 Sn 0.67871950962242 0.75000000000000 0.03951042188952 118.710 > 117 119 Sn 0.17871950962242 0.75000000000000 0.53951042188952 118.710 > 117 120 Sn 0.67871950962242 0.75000000000000 0.53951042188952 118.710 > 117 121 Sn 0.32128049037758 0.25000000000000 0.46048957811048 118.710 > 121 122 Sn 0.82128049037758 0.25000000000000 0.46048957811048 118.710 > 121 123 Sn 0.32128049037758 0.25000000000000 0.96048957811048 118.710 > 121 124 Sn 0.82128049037758 0.25000000000000 0.96048957811048 118.710 > 121 125 Sn 0.42871950962242 0.75000000000000 0.21048957811048 118.710 > 125 126 Sn 0.92871950962242 0.75000000000000 0.21048957811048 118.710 > 125 127 Sn 0.42871950962242 0.75000000000000 0.71048957811048 118.710 > 125 128 Sn 0.92871950962242 0.75000000000000 0.71048957811048 118.710 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.3270107 0.0000000 0.0000000 0.0000000 5.1845038 0.0000000 0.0000000 0.0000000 5.7880691 -------------------------- Born effective charges -------------------------- 1 F -1.4565456 -0.0009048 0.0215479 -0.0140148 -2.4921536 0.0046147 0.0975523 0.0171080 -1.4465862 2 F -1.4565456 -0.0009048 -0.0215479 -0.0140148 -2.4921536 -0.0046147 -0.0975523 -0.0171080 -1.4465862 3 F -1.4565456 0.0009048 -0.0215479 0.0140148 -2.4921536 0.0046147 -0.0975523 0.0171080 -1.4465862 4 F -1.4565456 0.0009048 0.0215479 0.0140148 -2.4921536 -0.0046147 0.0975523 -0.0171080 -1.4465862 5 F -1.4565456 -0.0009048 0.0215479 -0.0140148 -2.4921536 0.0046147 0.0975523 0.0171080 -1.4465862 6 F -1.4565456 -0.0009048 -0.0215479 -0.0140148 -2.4921536 -0.0046147 -0.0975523 -0.0171080 -1.4465862 7 F -1.4565456 0.0009048 -0.0215479 0.0140148 -2.4921536 0.0046147 -0.0975523 0.0171080 -1.4465862 8 F -1.4565456 0.0009048 0.0215479 0.0140148 -2.4921536 -0.0046147 0.0975523 -0.0171080 -1.4465862 9 Se -1.9307827 -0.1978251 -0.0313184 -0.1172650 -1.5144060 0.0658094 0.0811299 0.3562931 -1.7946318 10 Se -1.9307827 -0.1978251 0.0313184 -0.1172650 -1.5144060 -0.0658094 -0.0811299 -0.3562931 -1.7946318 11 Se -1.9307827 0.1978251 0.0313184 0.1172650 -1.5144060 0.0658094 -0.0811299 0.3562931 -1.7946318 12 Se -1.9307827 0.1978251 -0.0313184 0.1172650 -1.5144060 -0.0658094 0.0811299 -0.3562931 -1.7946318 13 Se -1.9006458 0.0000000 0.2630436 0.0000000 -0.5988077 0.0000000 0.3229078 0.0000000 -1.6883810 14 Se -1.9006458 0.0000000 -0.2630436 0.0000000 -0.5988077 0.0000000 -0.3229078 0.0000000 -1.6883810 15 Se -1.9006458 0.0000000 -0.2630436 0.0000000 -0.5988077 0.0000000 -0.3229078 0.0000000 -1.6883810 16 Se -1.9006458 0.0000000 0.2630436 0.0000000 -0.5988077 0.0000000 0.3229078 0.0000000 -1.6883810 17 Se -1.9307827 0.1978251 -0.0313184 0.1172650 -1.5144060 -0.0658094 0.0811299 -0.3562931 -1.7946318 18 Se -1.9307827 0.1978251 0.0313184 0.1172650 -1.5144060 0.0658094 -0.0811299 0.3562931 -1.7946318 19 Se -1.9307827 -0.1978251 0.0313184 -0.1172650 -1.5144060 -0.0658094 -0.0811299 -0.3562931 -1.7946318 20 Se -1.9307827 -0.1978251 -0.0313184 -0.1172650 -1.5144060 0.0658094 0.0811299 0.3562931 -1.7946318 21 Sr 2.6234996 0.1115117 0.0005496 -0.0228994 3.3476171 -0.0602275 -0.0232003 0.1472148 2.6092421 22 Sr 2.6234996 0.1115117 -0.0005496 -0.0228994 3.3476171 0.0602275 0.0232003 -0.1472148 2.6092421 23 Sr 2.6234996 -0.1115117 -0.0005496 0.0228994 3.3476171 -0.0602275 0.0232003 0.1472148 2.6092421 24 Sr 2.6234996 -0.1115117 0.0005496 0.0228994 3.3476171 0.0602275 -0.0232003 -0.1472148 2.6092421 25 Sr 2.6234996 -0.1115117 0.0005496 0.0228994 3.3476171 0.0602275 -0.0232003 -0.1472148 2.6092421 26 Sr 2.6234996 -0.1115117 -0.0005496 0.0228994 3.3476171 -0.0602275 0.0232003 0.1472148 2.6092421 27 Sr 2.6234996 0.1115117 -0.0005496 -0.0228994 3.3476171 0.0602275 0.0232003 -0.1472148 2.6092421 28 Sr 2.6234996 0.1115117 0.0005496 -0.0228994 3.3476171 -0.0602275 -0.0232003 0.1472148 2.6092421 29 Sn 3.4283031 0.0000000 0.6328159 0.0000000 1.9166927 0.0000000 -0.2741656 0.0000000 2.9523329 30 Sn 3.4283031 0.0000000 -0.6328159 0.0000000 1.9166927 0.0000000 0.2741656 0.0000000 2.9523329 31 Sn 3.4283031 0.0000000 -0.6328159 0.0000000 1.9166927 0.0000000 0.2741656 0.0000000 2.9523329 32 Sn 3.4283031 0.0000000 0.6328159 0.0000000 1.9166927 0.0000000 -0.2741656 0.0000000 2.9523329 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:53:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:53:45]------------------------- 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): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.078778030000000 0.000000000000000 0.000000000000000 b 0.000000000000000 19.379944120000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.050236770000000 Atomic positions (fractional): 1 F 0.49860103502130 0.49903988228443 0.25388421338250 18.998 2 F 0.00139896497870 0.50096011771557 0.75388421338250 18.998 3 F 0.99860103502130 0.00096011771557 0.24611578661750 18.998 4 F 0.50139896497870 0.99903988228443 0.74611578661750 18.998 5 F 0.50139896497870 0.50096011771557 0.74611578661750 18.998 6 F 0.99860103502130 0.49903988228443 0.24611578661750 18.998 7 F 0.00139896497870 0.99903988228443 0.75388421338250 18.998 8 F 0.49860103502130 0.00096011771557 0.25388421338250 18.998 9 Se 0.25921917848650 0.37024364073495 0.48837701876699 78.960 10 Se 0.24078082151350 0.62975635926505 0.98837701876699 78.960 11 Se 0.75921917848650 0.12975635926505 0.01162298123302 78.960 12 Se 0.74078082151350 0.87024364073495 0.51162298123301 78.960 13 Se 0.72669366880034 0.25000000000000 0.50069639726931 78.960 14 Se 0.77330633119966 0.75000000000000 0.00069639726931 78.960 15 Se 0.22669366880034 0.25000000000000 0.99930360273069 78.960 16 Se 0.27330633119966 0.75000000000000 0.49930360273069 78.960 17 Se 0.25921917848650 0.12975635926505 0.48837701876699 78.960 18 Se 0.24078082151350 0.87024364073495 0.98837701876699 78.960 19 Se 0.75921917848650 0.37024364073495 0.01162298123302 78.960 20 Se 0.74078082151350 0.62975635926505 0.51162298123301 78.960 21 Sr 0.75494477346804 0.06971842212208 0.50480202401614 87.620 22 Sr 0.74505522653196 0.93028157787792 0.00480202401614 87.620 23 Sr 0.25494477346804 0.43028157787792 0.99519797598386 87.620 24 Sr 0.24505522653196 0.56971842212208 0.49519797598386 87.620 25 Sr 0.75494477346804 0.43028157787792 0.50480202401614 87.620 26 Sr 0.74505522653196 0.56971842212208 0.00480202401614 87.620 27 Sr 0.25494477346804 0.06971842212208 0.99519797598386 87.620 28 Sr 0.24505522653196 0.93028157787792 0.49519797598386 87.620 29 Sn 0.14256098075516 0.25000000000000 0.57902084377905 118.710 30 Sn 0.35743901924484 0.75000000000000 0.07902084377905 118.710 31 Sn 0.64256098075516 0.25000000000000 0.92097915622095 118.710 32 Sn 0.85743901924484 0.75000000000000 0.42097915622095 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.157556059999999 0.000000000000000 0.000000000000000 b 0.000000000000000 19.379944120000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.100473539999999 Atomic positions (fractional): 1 F 0.24930051751065 0.49903988228443 0.12694210669125 18.998 > 1 2 F 0.74930051751065 0.49903988228443 0.12694210669125 18.998 > 1 3 F 0.24930051751065 0.49903988228443 0.62694210669125 18.998 > 1 4 F 0.74930051751065 0.49903988228443 0.62694210669125 18.998 > 1 5 F 0.00069948248935 0.50096011771557 0.37694210669125 18.998 > 5 6 F 0.50069948248935 0.50096011771557 0.37694210669125 18.998 > 5 7 F 0.00069948248935 0.50096011771557 0.87694210669125 18.998 > 5 8 F 0.50069948248935 0.50096011771557 0.87694210669125 18.998 > 5 9 F 0.49930051751065 0.00096011771557 0.12305789330875 18.998 > 9 10 F 0.99930051751065 0.00096011771557 0.12305789330875 18.998 > 9 11 F 0.49930051751065 0.00096011771557 0.62305789330875 18.998 > 9 12 F 0.99930051751065 0.00096011771557 0.62305789330875 18.998 > 9 13 F 0.25069948248935 0.99903988228443 0.37305789330875 18.998 > 13 14 F 0.75069948248935 0.99903988228443 0.37305789330875 18.998 > 13 15 F 0.25069948248935 0.99903988228443 0.87305789330875 18.998 > 13 16 F 0.75069948248935 0.99903988228443 0.87305789330875 18.998 > 13 17 F 0.25069948248935 0.50096011771557 0.37305789330875 18.998 > 17 18 F 0.75069948248935 0.50096011771557 0.37305789330875 18.998 > 17 19 F 0.25069948248935 0.50096011771557 0.87305789330875 18.998 > 17 20 F 0.75069948248935 0.50096011771557 0.87305789330875 18.998 > 17 21 F 0.49930051751065 0.49903988228443 0.12305789330875 18.998 > 21 22 F 0.99930051751065 0.49903988228443 0.12305789330875 18.998 > 21 23 F 0.49930051751065 0.49903988228443 0.62305789330875 18.998 > 21 24 F 0.99930051751065 0.49903988228443 0.62305789330875 18.998 > 21 25 F 0.00069948248935 0.99903988228443 0.37694210669125 18.998 > 25 26 F 0.50069948248935 0.99903988228443 0.37694210669125 18.998 > 25 27 F 0.00069948248935 0.99903988228443 0.87694210669125 18.998 > 25 28 F 0.50069948248935 0.99903988228443 0.87694210669125 18.998 > 25 29 F 0.24930051751065 0.00096011771557 0.12694210669125 18.998 > 29 30 F 0.74930051751065 0.00096011771557 0.12694210669125 18.998 > 29 31 F 0.24930051751065 0.00096011771557 0.62694210669125 18.998 > 29 32 F 0.74930051751065 0.00096011771557 0.62694210669125 18.998 > 29 33 Se 0.12960958924325 0.37024364073495 0.24418850938349 78.960 > 33 34 Se 0.62960958924325 0.37024364073495 0.24418850938349 78.960 > 33 35 Se 0.12960958924325 0.37024364073495 0.74418850938349 78.960 > 33 36 Se 0.62960958924325 0.37024364073495 0.74418850938349 78.960 > 33 37 Se 0.12039041075675 0.62975635926505 0.49418850938349 78.960 > 37 38 Se 0.62039041075675 0.62975635926505 0.49418850938349 78.960 > 37 39 Se 0.12039041075675 0.62975635926505 0.99418850938349 78.960 > 37 40 Se 0.62039041075675 0.62975635926505 0.99418850938349 78.960 > 37 41 Se 0.37960958924325 0.12975635926505 0.00581149061651 78.960 > 41 42 Se 0.87960958924325 0.12975635926505 0.00581149061651 78.960 > 41 43 Se 0.37960958924325 0.12975635926505 0.50581149061651 78.960 > 41 44 Se 0.87960958924325 0.12975635926505 0.50581149061651 78.960 > 41 45 Se 0.37039041075675 0.87024364073495 0.25581149061651 78.960 > 45 46 Se 0.87039041075675 0.87024364073495 0.25581149061651 78.960 > 45 47 Se 0.37039041075675 0.87024364073495 0.75581149061651 78.960 > 45 48 Se 0.87039041075675 0.87024364073495 0.75581149061651 78.960 > 45 49 Se 0.36334683440017 0.25000000000000 0.25034819863466 78.960 > 49 50 Se 0.86334683440017 0.25000000000000 0.25034819863466 78.960 > 49 51 Se 0.36334683440017 0.25000000000000 0.75034819863466 78.960 > 49 52 Se 0.86334683440017 0.25000000000000 0.75034819863466 78.960 > 49 53 Se 0.38665316559983 0.75000000000000 0.00034819863466 78.960 > 53 54 Se 0.88665316559983 0.75000000000000 0.00034819863466 78.960 > 53 55 Se 0.38665316559983 0.75000000000000 0.50034819863466 78.960 > 53 56 Se 0.88665316559983 0.75000000000000 0.50034819863466 78.960 > 53 57 Se 0.11334683440017 0.25000000000000 0.49965180136534 78.960 > 57 58 Se 0.61334683440017 0.25000000000000 0.49965180136534 78.960 > 57 59 Se 0.11334683440017 0.25000000000000 0.99965180136534 78.960 > 57 60 Se 0.61334683440017 0.25000000000000 0.99965180136534 78.960 > 57 61 Se 0.13665316559983 0.75000000000000 0.24965180136534 78.960 > 61 62 Se 0.63665316559983 0.75000000000000 0.24965180136534 78.960 > 61 63 Se 0.13665316559983 0.75000000000000 0.74965180136534 78.960 > 61 64 Se 0.63665316559983 0.75000000000000 0.74965180136534 78.960 > 61 65 Se 0.12960958924325 0.12975635926505 0.24418850938349 78.960 > 65 66 Se 0.62960958924325 0.12975635926505 0.24418850938349 78.960 > 65 67 Se 0.12960958924325 0.12975635926505 0.74418850938349 78.960 > 65 68 Se 0.62960958924325 0.12975635926505 0.74418850938349 78.960 > 65 69 Se 0.12039041075675 0.87024364073495 0.49418850938349 78.960 > 69 70 Se 0.62039041075675 0.87024364073495 0.49418850938349 78.960 > 69 71 Se 0.12039041075675 0.87024364073495 0.99418850938349 78.960 > 69 72 Se 0.62039041075675 0.87024364073495 0.99418850938349 78.960 > 69 73 Se 0.37960958924325 0.37024364073495 0.00581149061651 78.960 > 73 74 Se 0.87960958924325 0.37024364073495 0.00581149061651 78.960 > 73 75 Se 0.37960958924325 0.37024364073495 0.50581149061651 78.960 > 73 76 Se 0.87960958924325 0.37024364073495 0.50581149061651 78.960 > 73 77 Se 0.37039041075675 0.62975635926505 0.25581149061651 78.960 > 77 78 Se 0.87039041075675 0.62975635926505 0.25581149061651 78.960 > 77 79 Se 0.37039041075675 0.62975635926505 0.75581149061651 78.960 > 77 80 Se 0.87039041075675 0.62975635926505 0.75581149061651 78.960 > 77 81 Sr 0.37747238673402 0.06971842212208 0.25240101200807 87.620 > 81 82 Sr 0.87747238673402 0.06971842212208 0.25240101200807 87.620 > 81 83 Sr 0.37747238673402 0.06971842212208 0.75240101200807 87.620 > 81 84 Sr 0.87747238673402 0.06971842212208 0.75240101200807 87.620 > 81 85 Sr 0.37252761326598 0.93028157787792 0.00240101200807 87.620 > 85 86 Sr 0.87252761326598 0.93028157787792 0.00240101200807 87.620 > 85 87 Sr 0.37252761326598 0.93028157787792 0.50240101200807 87.620 > 85 88 Sr 0.87252761326598 0.93028157787792 0.50240101200807 87.620 > 85 89 Sr 0.12747238673402 0.43028157787792 0.49759898799193 87.620 > 89 90 Sr 0.62747238673402 0.43028157787792 0.49759898799193 87.620 > 89 91 Sr 0.12747238673402 0.43028157787792 0.99759898799193 87.620 > 89 92 Sr 0.62747238673402 0.43028157787792 0.99759898799193 87.620 > 89 93 Sr 0.12252761326598 0.56971842212208 0.24759898799193 87.620 > 93 94 Sr 0.62252761326598 0.56971842212208 0.24759898799193 87.620 > 93 95 Sr 0.12252761326598 0.56971842212208 0.74759898799193 87.620 > 93 96 Sr 0.62252761326598 0.56971842212208 0.74759898799193 87.620 > 93 97 Sr 0.37747238673402 0.43028157787792 0.25240101200807 87.620 > 97 98 Sr 0.87747238673402 0.43028157787792 0.25240101200807 87.620 > 97 99 Sr 0.37747238673402 0.43028157787792 0.75240101200807 87.620 > 97 100 Sr 0.87747238673402 0.43028157787792 0.75240101200807 87.620 > 97 101 Sr 0.37252761326598 0.56971842212208 0.00240101200807 87.620 > 101 102 Sr 0.87252761326598 0.56971842212208 0.00240101200807 87.620 > 101 103 Sr 0.37252761326598 0.56971842212208 0.50240101200807 87.620 > 101 104 Sr 0.87252761326598 0.56971842212208 0.50240101200807 87.620 > 101 105 Sr 0.12747238673402 0.06971842212208 0.49759898799193 87.620 > 105 106 Sr 0.62747238673402 0.06971842212208 0.49759898799193 87.620 > 105 107 Sr 0.12747238673402 0.06971842212208 0.99759898799193 87.620 > 105 108 Sr 0.62747238673402 0.06971842212208 0.99759898799193 87.620 > 105 109 Sr 0.12252761326598 0.93028157787792 0.24759898799193 87.620 > 109 110 Sr 0.62252761326598 0.93028157787792 0.24759898799193 87.620 > 109 111 Sr 0.12252761326598 0.93028157787792 0.74759898799193 87.620 > 109 112 Sr 0.62252761326598 0.93028157787792 0.74759898799193 87.620 > 109 113 Sn 0.07128049037758 0.25000000000000 0.28951042188952 118.710 > 113 114 Sn 0.57128049037758 0.25000000000000 0.28951042188952 118.710 > 113 115 Sn 0.07128049037758 0.25000000000000 0.78951042188952 118.710 > 113 116 Sn 0.57128049037758 0.25000000000000 0.78951042188952 118.710 > 113 117 Sn 0.17871950962242 0.75000000000000 0.03951042188952 118.710 > 117 118 Sn 0.67871950962242 0.75000000000000 0.03951042188952 118.710 > 117 119 Sn 0.17871950962242 0.75000000000000 0.53951042188952 118.710 > 117 120 Sn 0.67871950962242 0.75000000000000 0.53951042188952 118.710 > 117 121 Sn 0.32128049037758 0.25000000000000 0.46048957811048 118.710 > 121 122 Sn 0.82128049037758 0.25000000000000 0.46048957811048 118.710 > 121 123 Sn 0.32128049037758 0.25000000000000 0.96048957811048 118.710 > 121 124 Sn 0.82128049037758 0.25000000000000 0.96048957811048 118.710 > 121 125 Sn 0.42871950962242 0.75000000000000 0.21048957811048 118.710 > 125 126 Sn 0.92871950962242 0.75000000000000 0.21048957811048 118.710 > 125 127 Sn 0.42871950962242 0.75000000000000 0.71048957811048 118.710 > 125 128 Sn 0.92871950962242 0.75000000000000 0.71048957811048 118.710 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.3270107 0.0000000 0.0000000 0.0000000 5.1845038 0.0000000 0.0000000 0.0000000 5.7880691 -------------------------- Born effective charges -------------------------- 1 F -1.4565456 -0.0009048 0.0215479 -0.0140148 -2.4921536 0.0046147 0.0975523 0.0171080 -1.4465862 2 F -1.4565456 -0.0009048 -0.0215479 -0.0140148 -2.4921536 -0.0046147 -0.0975523 -0.0171080 -1.4465862 3 F -1.4565456 0.0009048 -0.0215479 0.0140148 -2.4921536 0.0046147 -0.0975523 0.0171080 -1.4465862 4 F -1.4565456 0.0009048 0.0215479 0.0140148 -2.4921536 -0.0046147 0.0975523 -0.0171080 -1.4465862 5 F -1.4565456 -0.0009048 0.0215479 -0.0140148 -2.4921536 0.0046147 0.0975523 0.0171080 -1.4465862 6 F -1.4565456 -0.0009048 -0.0215479 -0.0140148 -2.4921536 -0.0046147 -0.0975523 -0.0171080 -1.4465862 7 F -1.4565456 0.0009048 -0.0215479 0.0140148 -2.4921536 0.0046147 -0.0975523 0.0171080 -1.4465862 8 F -1.4565456 0.0009048 0.0215479 0.0140148 -2.4921536 -0.0046147 0.0975523 -0.0171080 -1.4465862 9 Se -1.9307827 -0.1978251 -0.0313184 -0.1172650 -1.5144060 0.0658094 0.0811299 0.3562931 -1.7946318 10 Se -1.9307827 -0.1978251 0.0313184 -0.1172650 -1.5144060 -0.0658094 -0.0811299 -0.3562931 -1.7946318 11 Se -1.9307827 0.1978251 0.0313184 0.1172650 -1.5144060 0.0658094 -0.0811299 0.3562931 -1.7946318 12 Se -1.9307827 0.1978251 -0.0313184 0.1172650 -1.5144060 -0.0658094 0.0811299 -0.3562931 -1.7946318 13 Se -1.9006458 0.0000000 0.2630436 0.0000000 -0.5988077 0.0000000 0.3229078 0.0000000 -1.6883810 14 Se -1.9006458 0.0000000 -0.2630436 0.0000000 -0.5988077 0.0000000 -0.3229078 0.0000000 -1.6883810 15 Se -1.9006458 0.0000000 -0.2630436 0.0000000 -0.5988077 0.0000000 -0.3229078 0.0000000 -1.6883810 16 Se -1.9006458 0.0000000 0.2630436 0.0000000 -0.5988077 0.0000000 0.3229078 0.0000000 -1.6883810 17 Se -1.9307827 0.1978251 -0.0313184 0.1172650 -1.5144060 -0.0658094 0.0811299 -0.3562931 -1.7946318 18 Se -1.9307827 0.1978251 0.0313184 0.1172650 -1.5144060 0.0658094 -0.0811299 0.3562931 -1.7946318 19 Se -1.9307827 -0.1978251 0.0313184 -0.1172650 -1.5144060 -0.0658094 -0.0811299 -0.3562931 -1.7946318 20 Se -1.9307827 -0.1978251 -0.0313184 -0.1172650 -1.5144060 0.0658094 0.0811299 0.3562931 -1.7946318 21 Sr 2.6234996 0.1115117 0.0005496 -0.0228994 3.3476171 -0.0602275 -0.0232003 0.1472148 2.6092421 22 Sr 2.6234996 0.1115117 -0.0005496 -0.0228994 3.3476171 0.0602275 0.0232003 -0.1472148 2.6092421 23 Sr 2.6234996 -0.1115117 -0.0005496 0.0228994 3.3476171 -0.0602275 0.0232003 0.1472148 2.6092421 24 Sr 2.6234996 -0.1115117 0.0005496 0.0228994 3.3476171 0.0602275 -0.0232003 -0.1472148 2.6092421 25 Sr 2.6234996 -0.1115117 0.0005496 0.0228994 3.3476171 0.0602275 -0.0232003 -0.1472148 2.6092421 26 Sr 2.6234996 -0.1115117 -0.0005496 0.0228994 3.3476171 -0.0602275 0.0232003 0.1472148 2.6092421 27 Sr 2.6234996 0.1115117 -0.0005496 -0.0228994 3.3476171 0.0602275 0.0232003 -0.1472148 2.6092421 28 Sr 2.6234996 0.1115117 0.0005496 -0.0228994 3.3476171 -0.0602275 -0.0232003 0.1472148 2.6092421 29 Sn 3.4283031 0.0000000 0.6328159 0.0000000 1.9166927 0.0000000 -0.2741656 0.0000000 2.9523329 30 Sn 3.4283031 0.0000000 -0.6328159 0.0000000 1.9166927 0.0000000 0.2741656 0.0000000 2.9523329 31 Sn 3.4283031 0.0000000 -0.6328159 0.0000000 1.9166927 0.0000000 0.2741656 0.0000000 2.9523329 32 Sn 3.4283031 0.0000000 0.6328159 0.0000000 1.9166927 0.0000000 -0.2741656 0.0000000 2.9523329 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) 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 ... [ 8 3 8 ] 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: 287, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.867 ( 0.000 0.000 0.000) 0.000 1.075 ( 0.000 0.000 0.000) 0.000 1.114 ( 0.000 0.000 0.000) 0.000 1.131 ( 0.000 0.000 0.000) 0.000 1.280 ( 0.000 0.000 0.000) 0.000 1.321 ( 0.000 0.000 0.000) 0.000 1.591 ( 0.000 0.000 0.000) 0.000 1.605 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.800 ( 0.000 0.000 0.000) 0.000 1.831 ( 0.000 0.000 0.000) 0.000 1.955 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.334 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 0.000) 0.000 2.377 ( 0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.403 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 2.852 ( 0.000 0.000 0.000) 0.000 3.045 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.444 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.781 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 3.861 ( 0.000 0.000 0.000) 0.000 3.915 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.871 ( 0.000 0.000 0.000) 0.000 5.062 ( 0.000 0.000 0.000) 0.000 5.072 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.759 ( 0.000 0.000 0.000) 0.000 5.768 ( 0.000 0.000 0.000) 0.000 5.784 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.811 ( 0.000 0.000 0.000) 0.000 6.178 ( 0.000 0.000 0.000) 0.000 6.182 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 6.476 ( 0.000 0.000 0.000) 0.000 6.483 ( 0.000 0.000 0.000) 0.000 6.566 ( 0.000 0.000 0.000) 0.000 6.569 ( 0.000 0.000 0.000) 0.000 6.600 ( 0.000 0.000 0.000) 0.000 6.622 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 0.000 0.000) 0.000 6.837 ( 0.000 0.000 0.000) 0.000 6.881 ( 0.000 0.000 0.000) 0.000 6.969 ( 0.000 0.000 0.000) 0.000 6.985 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.339 ( 0.000 0.000 0.000) 0.000 7.425 ( 0.000 0.000 0.000) 0.000 7.436 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 0.000) 0.000 7.647 ( 0.000 0.000 0.000) 0.000 8.438 ( 0.000 0.000 0.000) 0.000 8.447 ( 0.000 0.000 0.000) 0.000 8.485 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.559 ( 0.000 0.000 0.000) 0.000 8.974 ( 0.000 0.000 0.000) 0.000 10.151 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 18.790 0.000 0.000) 18.790 0.419 ( 18.139 0.000 0.000) 18.139 0.783 ( 36.276 0.000 0.000) 36.276 0.920 ( 4.455 0.000 0.000) 4.455 0.993 ( -2.241 0.000 0.000) 2.241 1.148 ( 4.936 0.000 0.000) 4.936 1.164 ( 3.146 0.000 0.000) 3.146 1.273 ( -1.325 0.000 0.000) 1.325 1.292 ( -2.641 0.000 0.000) 2.641 1.632 ( 2.575 0.000 0.000) 2.575 1.692 ( 5.921 0.000 0.000) 5.921 1.756 ( 5.694 0.000 0.000) 5.694 1.821 ( 2.070 0.000 0.000) 2.070 1.867 ( 3.025 0.000 0.000) 3.025 1.951 ( 0.196 0.000 0.000) 0.196 1.979 ( -0.511 0.000 0.000) 0.511 2.072 ( -3.788 0.000 0.000) 3.788 2.110 ( 10.657 0.000 0.000) 10.657 2.321 ( 0.917 0.000 0.000) 0.917 2.327 ( 7.399 0.000 0.000) 7.399 2.384 ( 1.169 0.000 0.000) 1.169 2.414 ( 1.820 0.000 0.000) 1.820 2.462 ( 7.331 0.000 0.000) 7.331 2.463 ( 6.160 0.000 0.000) 6.160 2.516 ( 2.628 0.000 0.000) 2.628 2.680 ( -5.901 0.000 0.000) 5.901 2.703 ( -0.874 0.000 0.000) 0.874 2.723 ( -6.596 0.000 0.000) 6.596 2.767 ( -1.107 0.000 0.000) 1.107 2.784 ( -2.540 0.000 0.000) 2.540 2.798 ( 1.074 0.000 0.000) 1.074 2.890 ( 7.311 0.000 0.000) 7.311 2.915 ( 2.489 0.000 0.000) 2.489 3.024 ( -1.584 0.000 0.000) 1.584 3.072 ( 2.353 0.000 0.000) 2.353 3.178 ( -2.331 0.000 0.000) 2.331 3.179 ( 4.051 0.000 0.000) 4.051 3.318 ( -1.495 0.000 0.000) 1.495 3.360 ( 0.480 0.000 0.000) 0.480 3.448 ( 3.453 0.000 0.000) 3.453 3.463 ( 1.846 0.000 0.000) 1.846 3.632 ( -3.053 0.000 0.000) 3.053 3.712 ( -1.183 0.000 0.000) 1.183 3.753 ( -2.572 0.000 0.000) 2.572 3.805 ( -0.428 0.000 0.000) 0.428 3.822 ( -1.411 0.000 0.000) 1.411 3.892 ( 2.292 0.000 0.000) 2.292 3.895 ( -1.504 0.000 0.000) 1.504 3.983 ( 2.953 0.000 0.000) 2.953 3.996 ( 3.083 0.000 0.000) 3.083 4.212 ( -6.872 0.000 0.000) 6.872 4.223 ( -3.614 0.000 0.000) 3.614 4.755 ( -3.573 0.000 0.000) 3.573 4.763 ( -5.182 0.000 0.000) 5.182 4.785 ( -3.175 0.000 0.000) 3.175 4.838 ( -3.247 0.000 0.000) 3.247 5.104 ( 3.347 0.000 0.000) 3.347 5.108 ( 3.267 0.000 0.000) 3.267 5.216 ( 10.972 0.000 0.000) 10.972 5.219 ( 10.932 0.000 0.000) 10.932 5.676 ( -1.520 0.000 0.000) 1.520 5.690 ( -1.775 0.000 0.000) 1.775 5.782 ( -0.303 0.000 0.000) 0.303 5.792 ( -0.048 0.000 0.000) 0.048 5.808 ( 2.196 0.000 0.000) 2.196 5.827 ( 1.637 0.000 0.000) 1.637 6.087 ( -3.174 0.000 0.000) 3.174 6.108 ( 25.175 0.000 0.000) 25.175 6.141 ( -3.810 0.000 0.000) 3.810 6.154 ( -5.142 0.000 0.000) 5.142 6.238 ( -0.561 0.000 0.000) 0.561 6.459 ( -0.874 0.000 0.000) 0.874 6.485 ( 0.368 0.000 0.000) 0.368 6.557 ( -1.041 0.000 0.000) 1.041 6.567 ( -0.056 0.000 0.000) 0.056 6.635 ( 2.525 0.000 0.000) 2.525 6.641 ( 6.952 0.000 0.000) 6.952 6.729 ( 8.017 0.000 0.000) 8.017 6.855 ( -2.281 0.000 0.000) 2.281 6.856 ( 2.108 0.000 0.000) 2.108 6.971 ( 0.184 0.000 0.000) 0.184 7.001 ( 1.849 0.000 0.000) 1.849 7.263 ( -6.074 0.000 0.000) 6.074 7.275 ( -6.166 0.000 0.000) 6.166 7.467 ( 2.970 0.000 0.000) 2.970 7.471 ( 4.343 0.000 0.000) 4.343 7.581 ( -2.957 0.000 0.000) 2.957 7.692 ( 4.069 0.000 0.000) 4.069 7.725 ( 1.024 0.000 0.000) 1.024 8.414 ( -3.209 0.000 0.000) 3.209 8.441 ( 0.203 0.000 0.000) 0.203 8.442 ( -4.145 0.000 0.000) 4.145 8.511 ( -2.384 0.000 0.000) 2.384 8.523 ( -3.058 0.000 0.000) 3.058 8.902 ( -6.645 0.000 0.000) 6.645 9.631 ( -43.165 0.000 0.000) 43.165 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 12.469 0.000 0.000) 12.469 0.767 ( 17.489 0.000 0.000) 17.489 1.012 ( 3.784 0.000 0.000) 3.784 1.056 ( 5.132 0.000 0.000) 5.132 1.230 ( -2.844 0.000 0.000) 2.844 1.259 ( 5.988 0.000 0.000) 5.988 1.287 ( 13.210 0.000 0.000) 13.210 1.291 ( 5.725 0.000 0.000) 5.725 1.501 ( 25.219 0.000 0.000) 25.219 1.716 ( 5.854 0.000 0.000) 5.854 1.784 ( 3.648 0.000 0.000) 3.648 1.847 ( -0.233 0.000 0.000) 0.233 1.885 ( 4.076 0.000 0.000) 4.076 1.916 ( 1.804 0.000 0.000) 1.804 1.984 ( -3.360 0.000 0.000) 3.360 2.001 ( 3.957 0.000 0.000) 3.957 2.047 ( 11.088 0.000 0.000) 11.088 2.331 ( 5.760 0.000 0.000) 5.760 2.366 ( 2.846 0.000 0.000) 2.846 2.450 ( 2.967 0.000 0.000) 2.967 2.482 ( 11.114 0.000 0.000) 11.114 2.489 ( 3.279 0.000 0.000) 3.279 2.522 ( -6.660 0.000 0.000) 6.660 2.562 ( -7.534 0.000 0.000) 7.534 2.578 ( 2.542 0.000 0.000) 2.542 2.632 ( -8.446 0.000 0.000) 8.446 2.637 ( 8.200 0.000 0.000) 8.200 2.652 ( 11.193 0.000 0.000) 11.193 2.689 ( 0.239 0.000 0.000) 0.239 2.823 ( 3.052 0.000 0.000) 3.052 2.854 ( 4.498 0.000 0.000) 4.498 2.943 ( 0.329 0.000 0.000) 0.329 3.004 ( 0.282 0.000 0.000) 0.282 3.052 ( 7.036 0.000 0.000) 7.036 3.106 ( -4.629 0.000 0.000) 4.629 3.136 ( 3.621 0.000 0.000) 3.621 3.241 ( 1.136 0.000 0.000) 1.136 3.322 ( 1.955 0.000 0.000) 1.955 3.351 ( -1.636 0.000 0.000) 1.636 3.519 ( 3.379 0.000 0.000) 3.379 3.519 ( 3.160 0.000 0.000) 3.160 3.542 ( -6.089 0.000 0.000) 6.089 3.662 ( -3.509 0.000 0.000) 3.509 3.691 ( -2.823 0.000 0.000) 2.823 3.772 ( -3.024 0.000 0.000) 3.024 3.780 ( -2.586 0.000 0.000) 2.586 3.869 ( -1.086 0.000 0.000) 1.086 3.917 ( -0.391 0.000 0.000) 0.391 4.072 ( 5.641 0.000 0.000) 5.641 4.089 ( 5.864 0.000 0.000) 5.864 4.121 ( -1.676 0.000 0.000) 1.676 4.173 ( -0.361 0.000 0.000) 0.361 4.618 ( -8.544 0.000 0.000) 8.544 4.638 ( -7.741 0.000 0.000) 7.741 4.691 ( -5.886 0.000 0.000) 5.886 4.739 ( -6.253 0.000 0.000) 6.253 5.198 ( 5.478 0.000 0.000) 5.478 5.199 ( 5.386 0.000 0.000) 5.386 5.525 ( 18.241 0.000 0.000) 18.241 5.528 ( 18.372 0.000 0.000) 18.372 5.629 ( -3.094 0.000 0.000) 3.094 5.637 ( -3.404 0.000 0.000) 3.404 5.785 ( 0.742 0.000 0.000) 0.742 5.797 ( 0.686 0.000 0.000) 0.686 5.857 ( 1.493 0.000 0.000) 1.493 5.863 ( 2.061 0.000 0.000) 2.061 6.033 ( -3.019 0.000 0.000) 3.019 6.055 ( -4.163 0.000 0.000) 4.163 6.058 ( -2.005 0.000 0.000) 2.005 6.217 ( -1.399 0.000 0.000) 1.399 6.458 ( 0.859 0.000 0.000) 0.859 6.497 ( 0.698 0.000 0.000) 0.698 6.528 ( 0.413 0.000 0.000) 0.413 6.559 ( -0.643 0.000 0.000) 0.643 6.581 ( 17.240 0.000 0.000) 17.240 6.676 ( 1.163 0.000 0.000) 1.163 6.792 ( 6.687 0.000 0.000) 6.687 6.798 ( -3.013 0.000 0.000) 3.013 6.861 ( 3.433 0.000 0.000) 3.433 6.898 ( 1.675 0.000 0.000) 1.675 6.977 ( 0.364 0.000 0.000) 0.364 7.078 ( -11.904 0.000 0.000) 11.904 7.086 ( -8.968 0.000 0.000) 8.968 7.096 ( 5.023 0.000 0.000) 5.023 7.487 ( -6.199 0.000 0.000) 6.199 7.557 ( 5.706 0.000 0.000) 5.706 7.594 ( 7.332 0.000 0.000) 7.332 7.766 ( 3.259 0.000 0.000) 3.259 7.808 ( 6.912 0.000 0.000) 6.912 8.312 ( -7.004 0.000 0.000) 7.004 8.327 ( -6.374 0.000 0.000) 6.374 8.411 ( -6.389 0.000 0.000) 6.389 8.443 ( -0.098 0.000 0.000) 0.098 8.474 ( -2.038 0.000 0.000) 2.038 8.715 ( -40.458 0.000 0.000) 40.458 8.723 ( -10.234 0.000 0.000) 10.234 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 9.230 0.000 0.000) 9.230 1.069 ( 1.849 0.000 0.000) 1.849 1.106 ( 15.336 0.000 0.000) 15.336 1.117 ( 1.816 0.000 0.000) 1.816 1.184 ( -1.765 0.000 0.000) 1.765 1.403 ( 7.773 0.000 0.000) 7.773 1.511 ( 13.220 0.000 0.000) 13.220 1.521 ( 4.610 0.000 0.000) 4.610 1.666 ( -3.478 0.000 0.000) 3.478 1.839 ( 1.095 0.000 0.000) 1.095 1.853 ( 5.601 0.000 0.000) 5.601 1.854 ( 3.068 0.000 0.000) 3.068 1.959 ( 0.212 0.000 0.000) 0.212 1.976 ( 4.182 0.000 0.000) 4.182 2.037 ( 0.588 0.000 0.000) 0.588 2.081 ( 9.278 0.000 0.000) 9.278 2.341 ( -8.669 0.000 0.000) 8.669 2.369 ( -3.113 0.000 0.000) 3.113 2.374 ( -0.472 0.000 0.000) 0.472 2.374 ( 15.954 0.000 0.000) 15.954 2.436 ( -9.923 0.000 0.000) 9.923 2.446 ( 0.258 0.000 0.000) 0.258 2.461 ( 0.457 0.000 0.000) 0.457 2.629 ( 1.447 0.000 0.000) 1.447 2.636 ( 7.528 0.000 0.000) 7.528 2.735 ( 5.060 0.000 0.000) 5.060 2.747 ( 11.548 0.000 0.000) 11.548 2.792 ( 5.977 0.000 0.000) 5.977 2.848 ( 5.962 0.000 0.000) 5.962 2.897 ( 3.722 0.000 0.000) 3.722 2.939 ( -0.290 0.000 0.000) 0.290 2.960 ( 4.786 0.000 0.000) 4.786 3.001 ( -4.446 0.000 0.000) 4.446 3.070 ( 6.658 0.000 0.000) 6.658 3.134 ( 0.013 0.000 0.000) 0.013 3.210 ( 3.109 0.000 0.000) 3.109 3.216 ( -2.791 0.000 0.000) 2.791 3.293 ( -3.750 0.000 0.000) 3.750 3.362 ( 0.188 0.000 0.000) 0.188 3.394 ( -7.271 0.000 0.000) 7.271 3.556 ( -0.658 0.000 0.000) 0.658 3.580 ( -4.063 0.000 0.000) 4.063 3.588 ( 2.979 0.000 0.000) 2.979 3.676 ( 2.227 0.000 0.000) 2.227 3.705 ( -1.305 0.000 0.000) 1.305 3.719 ( -3.283 0.000 0.000) 3.283 3.834 ( -2.629 0.000 0.000) 2.629 3.871 ( -3.984 0.000 0.000) 3.984 4.143 ( 3.677 0.000 0.000) 3.677 4.208 ( 3.356 0.000 0.000) 3.356 4.210 ( 7.638 0.000 0.000) 7.638 4.233 ( 7.918 0.000 0.000) 7.918 4.432 ( -8.998 0.000 0.000) 8.998 4.458 ( -8.892 0.000 0.000) 8.892 4.549 ( -7.803 0.000 0.000) 7.803 4.588 ( -8.267 0.000 0.000) 8.267 5.319 ( 6.100 0.000 0.000) 6.100 5.320 ( 6.134 0.000 0.000) 6.134 5.550 ( -4.598 0.000 0.000) 4.598 5.552 ( -4.781 0.000 0.000) 4.781 5.813 ( 1.771 0.000 0.000) 1.771 5.820 ( 1.501 0.000 0.000) 1.501 5.855 ( 0.631 0.000 0.000) 0.631 5.870 ( 2.456 0.000 0.000) 2.456 5.944 ( 21.375 0.000 0.000) 21.375 5.958 ( 11.039 0.000 0.000) 11.039 5.976 ( 4.347 0.000 0.000) 4.347 5.987 ( -2.454 0.000 0.000) 2.454 6.078 ( 2.782 0.000 0.000) 2.782 6.181 ( -2.114 0.000 0.000) 2.114 6.487 ( 1.549 0.000 0.000) 1.549 6.510 ( 0.484 0.000 0.000) 0.484 6.521 ( 0.007 0.000 0.000) 0.007 6.545 ( -0.698 0.000 0.000) 0.698 6.682 ( -0.564 0.000 0.000) 0.564 6.734 ( -2.696 0.000 0.000) 2.696 6.781 ( -16.378 0.000 0.000) 16.378 6.786 ( -16.609 0.000 0.000) 16.609 6.885 ( 1.749 0.000 0.000) 1.749 6.892 ( 0.038 0.000 0.000) 0.038 6.892 ( 12.436 0.000 0.000) 12.436 6.931 ( 2.153 0.000 0.000) 2.153 6.983 ( -0.061 0.000 0.000) 0.061 7.303 ( 11.477 0.000 0.000) 11.477 7.328 ( -9.060 0.000 0.000) 9.060 7.680 ( 4.430 0.000 0.000) 4.430 7.763 ( 8.837 0.000 0.000) 8.837 7.863 ( 5.966 0.000 0.000) 5.966 7.950 ( 5.448 0.000 0.000) 5.448 8.067 ( -21.100 0.000 0.000) 21.100 8.141 ( -9.105 0.000 0.000) 9.105 8.183 ( -7.698 0.000 0.000) 7.698 8.279 ( -5.005 0.000 0.000) 5.005 8.437 ( -0.383 0.000 0.000) 0.383 8.441 ( -0.990 0.000 0.000) 0.990 8.503 ( -10.663 0.000 0.000) 10.663 ======================= Grid point 4 (5/50) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -2.230 0.000 0.000) 2.230 1.074 ( 2.230 0.000 0.000) 2.230 1.151 ( -1.525 0.000 0.000) 1.525 1.151 ( 1.525 0.000 0.000) 1.525 1.390 ( -11.928 0.000 0.000) 11.928 1.390 ( 11.928 0.000 0.000) 11.928 1.563 ( -7.222 0.000 0.000) 7.222 1.563 ( 7.222 0.000 0.000) 7.222 1.785 ( -12.786 0.000 0.000) 12.786 1.785 ( 12.786 0.000 0.000) 12.786 1.897 ( -0.629 0.000 0.000) 0.629 1.897 ( 0.629 0.000 0.000) 0.629 1.979 ( -6.733 0.000 0.000) 6.733 1.979 ( 6.733 0.000 0.000) 6.733 2.185 ( -3.664 0.000 0.000) 3.664 2.185 ( 3.664 0.000 0.000) 3.664 2.196 ( -11.128 0.000 0.000) 11.128 2.196 ( 11.128 0.000 0.000) 11.128 2.370 ( -1.325 0.000 0.000) 1.325 2.370 ( 1.325 0.000 0.000) 1.325 2.447 ( -0.658 0.000 0.000) 0.658 2.447 ( 0.658 0.000 0.000) 0.658 2.608 ( -4.301 0.000 0.000) 4.301 2.608 ( 4.301 0.000 0.000) 4.301 2.787 ( -6.330 0.000 0.000) 6.330 2.787 ( 6.330 0.000 0.000) 6.330 2.847 ( -1.681 0.000 0.000) 1.681 2.847 ( 1.681 0.000 0.000) 1.681 2.925 ( -2.432 0.000 0.000) 2.432 2.925 ( 2.432 0.000 0.000) 2.432 2.994 ( -2.449 0.000 0.000) 2.449 2.994 ( 2.449 0.000 0.000) 2.449 3.031 ( -7.871 0.000 0.000) 7.871 3.031 ( 7.871 0.000 0.000) 7.871 3.211 ( -4.455 0.000 0.000) 4.455 3.211 ( 4.455 0.000 0.000) 4.455 3.215 ( -3.039 0.000 0.000) 3.039 3.215 ( 3.039 0.000 0.000) 3.039 3.317 ( -1.342 0.000 0.000) 1.342 3.317 ( 1.342 0.000 0.000) 1.342 3.523 ( -0.362 0.000 0.000) 0.362 3.523 ( 0.362 0.000 0.000) 0.362 3.650 ( -3.277 0.000 0.000) 3.277 3.650 ( 3.277 0.000 0.000) 3.277 3.758 ( -4.526 0.000 0.000) 4.526 3.758 ( 4.526 0.000 0.000) 4.526 3.767 ( -5.473 0.000 0.000) 5.473 3.767 ( 5.473 0.000 0.000) 5.473 4.260 ( -7.249 0.000 0.000) 7.249 4.260 ( 7.249 0.000 0.000) 7.249 4.301 ( -5.729 0.000 0.000) 5.729 4.301 ( 5.729 0.000 0.000) 5.729 4.380 ( -8.278 0.000 0.000) 8.278 4.380 ( 8.278 0.000 0.000) 8.278 4.409 ( -8.794 0.000 0.000) 8.794 4.409 ( 8.794 0.000 0.000) 8.794 5.443 ( -5.752 0.000 0.000) 5.752 5.443 ( -5.721 0.000 0.000) 5.721 5.443 ( 5.721 0.000 0.000) 5.721 5.443 ( 5.751 0.000 0.000) 5.751 5.841 ( -0.899 0.000 0.000) 0.899 5.841 ( 0.899 0.000 0.000) 0.899 5.857 ( -1.810 0.000 0.000) 1.810 5.857 ( 1.810 0.000 0.000) 1.810 5.957 ( -0.423 0.000 0.000) 0.423 5.957 ( 0.423 0.000 0.000) 0.423 6.131 ( -2.739 0.000 0.000) 2.739 6.131 ( 2.739 0.000 0.000) 2.739 6.376 ( -19.522 0.000 0.000) 19.522 6.376 ( 19.522 0.000 0.000) 19.522 6.385 ( -19.453 0.000 0.000) 19.453 6.385 ( 19.453 0.000 0.000) 19.453 6.524 ( -0.490 0.000 0.000) 0.490 6.524 ( 0.490 0.000 0.000) 0.490 6.535 ( -0.331 0.000 0.000) 0.331 6.535 ( 0.331 0.000 0.000) 0.331 6.692 ( -1.085 0.000 0.000) 1.085 6.692 ( 1.085 0.000 0.000) 1.085 6.893 ( -0.078 0.000 0.000) 0.078 6.893 ( 0.078 0.000 0.000) 0.078 6.971 ( -1.254 0.000 0.000) 1.254 6.971 ( 1.254 0.000 0.000) 1.254 7.125 ( -10.542 0.000 0.000) 10.542 7.125 ( 10.542 0.000 0.000) 10.542 7.558 ( -13.028 0.000 0.000) 13.028 7.558 ( 13.028 0.000 0.000) 13.028 7.935 ( -6.703 0.000 0.000) 6.703 7.935 ( 6.703 0.000 0.000) 6.703 7.961 ( -7.298 0.000 0.000) 7.298 7.961 ( 7.298 0.000 0.000) 7.298 8.020 ( -7.762 0.000 0.000) 7.762 8.020 ( 7.762 0.000 0.000) 7.762 8.305 ( -7.454 0.000 0.000) 7.454 8.305 ( 7.454 0.000 0.000) 7.454 8.432 ( -0.021 0.000 0.000) 0.021 8.432 ( 0.021 0.000 0.000) 0.021 ======================= Grid point 9 (6/50) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 0.000 20.476 0.000) 20.476 0.400 ( 0.000 22.723 0.000) 22.723 0.638 ( 0.000 31.744 0.000) 31.744 0.689 ( 0.000 -16.534 0.000) 16.534 0.789 ( 0.000 -16.308 0.000) 16.308 1.159 ( 0.000 -18.324 0.000) 18.324 1.213 ( 0.000 5.910 0.000) 5.910 1.293 ( 0.000 -3.199 0.000) 3.199 1.318 ( 0.000 9.610 0.000) 9.610 1.490 ( 0.000 -14.089 0.000) 14.089 1.659 ( 0.000 5.358 0.000) 5.358 1.736 ( 0.000 4.609 0.000) 4.609 1.750 ( 0.000 -4.461 0.000) 4.461 1.841 ( 0.000 -7.554 0.000) 7.554 1.871 ( 0.000 3.247 0.000) 3.247 1.928 ( 0.000 -2.885 0.000) 2.885 2.010 ( 0.000 2.820 0.000) 2.820 2.072 ( 0.000 -3.849 0.000) 3.849 2.344 ( 0.000 1.133 0.000) 1.133 2.367 ( 0.000 -0.700 0.000) 0.700 2.370 ( 0.000 2.252 0.000) 2.252 2.393 ( 0.000 -0.659 0.000) 0.659 2.398 ( 0.000 1.427 0.000) 1.427 2.450 ( 0.000 -3.404 0.000) 3.404 2.563 ( 0.000 17.856 0.000) 17.856 2.708 ( 0.000 -1.264 0.000) 1.264 2.756 ( 0.000 -0.731 0.000) 0.731 2.757 ( 0.000 -1.048 0.000) 1.048 2.800 ( 0.000 2.845 0.000) 2.845 2.841 ( 0.000 2.168 0.000) 2.168 2.848 ( 0.000 -1.462 0.000) 1.462 2.903 ( 0.000 4.744 0.000) 4.744 2.982 ( 0.000 -4.667 0.000) 4.667 2.992 ( 0.000 -11.751 0.000) 11.751 3.088 ( 0.000 4.304 0.000) 4.304 3.167 ( 0.000 -4.241 0.000) 4.241 3.203 ( 0.000 6.155 0.000) 6.155 3.304 ( 0.000 -5.068 0.000) 5.068 3.355 ( 0.000 1.724 0.000) 1.724 3.390 ( 0.000 -1.965 0.000) 1.965 3.408 ( 0.000 1.499 0.000) 1.499 3.436 ( 0.000 -1.244 0.000) 1.244 3.751 ( 0.000 4.037 0.000) 4.037 3.785 ( 0.000 0.540 0.000) 0.540 3.798 ( 0.000 -0.806 0.000) 0.806 3.814 ( 0.000 -2.681 0.000) 2.681 3.872 ( 0.000 1.209 0.000) 1.209 3.898 ( 0.000 -1.589 0.000) 1.589 3.959 ( 0.000 0.583 0.000) 0.583 3.965 ( 0.000 -0.053 0.000) 0.053 4.285 ( 0.000 1.602 0.000) 1.602 4.313 ( 0.000 -1.284 0.000) 1.284 4.797 ( 0.000 0.701 0.000) 0.701 4.811 ( 0.000 -0.754 0.000) 0.754 4.834 ( 0.000 1.626 0.000) 1.626 4.864 ( 0.000 -1.528 0.000) 1.528 5.064 ( 0.000 0.222 0.000) 0.222 5.069 ( 0.000 -0.304 0.000) 0.304 5.100 ( 0.000 0.107 0.000) 0.107 5.102 ( 0.000 -0.063 0.000) 0.063 5.696 ( 0.000 0.409 0.000) 0.409 5.704 ( 0.000 -0.462 0.000) 0.462 5.760 ( 0.000 0.164 0.000) 0.164 5.764 ( 0.000 -0.297 0.000) 0.297 5.789 ( 0.000 0.092 0.000) 0.092 5.791 ( 0.000 -0.101 0.000) 0.101 5.792 ( 0.000 0.785 0.000) 0.785 5.805 ( 0.000 -0.619 0.000) 0.619 6.179 ( 0.000 0.091 0.000) 0.091 6.181 ( 0.000 -0.089 0.000) 0.089 6.229 ( 0.000 -0.066 0.000) 0.066 6.232 ( 0.000 -0.322 0.000) 0.322 6.478 ( 0.000 0.180 0.000) 0.180 6.481 ( 0.000 -0.194 0.000) 0.194 6.567 ( 0.000 0.057 0.000) 0.057 6.568 ( 0.000 -0.065 0.000) 0.065 6.606 ( 0.000 0.612 0.000) 0.612 6.617 ( 0.000 -0.575 0.000) 0.575 6.832 ( 0.000 0.187 0.000) 0.187 6.836 ( 0.000 -0.195 0.000) 0.195 6.971 ( 0.000 0.259 0.000) 0.259 6.979 ( 0.000 -0.573 0.000) 0.573 7.330 ( 0.000 0.358 0.000) 0.358 7.336 ( 0.000 -0.307 0.000) 0.307 7.428 ( 0.000 0.311 0.000) 0.311 7.433 ( 0.000 -0.310 0.000) 0.310 7.638 ( 0.000 2.095 0.000) 2.095 7.655 ( 0.000 0.289 0.000) 0.289 8.412 ( 0.000 -1.950 0.000) 1.950 8.423 ( 0.000 0.549 0.000) 0.549 8.423 ( 0.000 -3.323 0.000) 3.323 8.433 ( 0.000 -0.534 0.000) 0.534 8.580 ( 0.000 2.144 0.000) 2.144 8.585 ( 0.000 1.406 0.000) 1.406 10.117 ( 0.000 1.191 0.000) 1.191 10.140 ( 0.000 -1.187 0.000) 1.187 ======================= Grid point 10 (7/50) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 13.253 10.681 0.000) 17.021 0.530 ( 13.327 13.398 0.000) 18.897 0.735 ( 4.223 -13.995 0.000) 14.618 0.775 ( 7.591 -13.469 0.000) 15.461 1.054 ( 24.761 16.359 0.000) 29.677 1.222 ( 0.679 4.144 0.000) 4.200 1.229 ( 1.201 -0.945 0.000) 1.529 1.275 ( -1.722 -1.991 0.000) 2.633 1.300 ( 0.457 7.600 0.000) 7.614 1.571 ( 10.374 -19.194 0.000) 21.819 1.685 ( 2.479 5.292 0.000) 5.844 1.759 ( 5.779 6.851 0.000) 8.963 1.776 ( 2.355 -4.462 0.000) 5.045 1.891 ( 1.981 2.041 0.000) 2.844 1.901 ( 5.718 -8.975 0.000) 10.642 1.929 ( 0.690 -2.163 0.000) 2.270 2.007 ( 0.428 -0.100 0.000) 0.440 2.043 ( -2.884 -2.901 0.000) 4.091 2.355 ( 1.643 3.274 0.000) 3.663 2.397 ( 1.711 3.733 0.000) 4.107 2.402 ( 2.374 -1.615 0.000) 2.872 2.442 ( 4.122 -1.582 0.000) 4.416 2.462 ( 6.178 0.446 0.000) 6.194 2.489 ( 3.594 -2.426 0.000) 4.336 2.607 ( 3.455 12.268 0.000) 12.745 2.682 ( -5.860 0.335 0.000) 5.870 2.691 ( -0.923 -1.008 0.000) 1.367 2.698 ( -5.682 -1.633 0.000) 5.912 2.807 ( -2.754 4.937 0.000) 5.653 2.821 ( 0.669 1.551 0.000) 1.689 2.846 ( 2.544 -1.788 0.000) 3.110 2.859 ( -3.870 3.596 0.000) 5.283 2.982 ( 5.211 3.985 0.000) 6.560 3.037 ( -2.881 1.691 0.000) 3.341 3.040 ( 4.150 -2.898 0.000) 5.062 3.114 ( -1.960 -6.488 0.000) 6.778 3.226 ( 2.141 4.510 0.000) 4.993 3.299 ( 0.125 -2.886 0.000) 2.889 3.378 ( 1.256 3.049 0.000) 3.298 3.436 ( 2.372 0.239 0.000) 2.384 3.457 ( 2.054 -1.293 0.000) 2.427 3.497 ( 1.215 -10.540 0.000) 10.610 3.746 ( -1.487 3.400 0.000) 3.711 3.766 ( -1.849 1.393 0.000) 2.315 3.792 ( -0.809 -1.357 0.000) 1.580 3.803 ( -1.892 -2.539 0.000) 3.166 3.892 ( 1.429 0.299 0.000) 1.460 3.899 ( 0.445 -0.191 0.000) 0.484 3.988 ( 2.843 0.525 0.000) 2.891 3.995 ( 2.944 -0.204 0.000) 2.951 4.195 ( -4.767 -0.311 0.000) 4.777 4.208 ( -5.581 -1.154 0.000) 5.699 4.757 ( -3.957 0.188 0.000) 3.962 4.761 ( -4.762 -0.221 0.000) 4.767 4.800 ( -3.296 1.478 0.000) 3.612 4.826 ( -3.394 -1.336 0.000) 3.647 5.105 ( 3.435 0.073 0.000) 3.436 5.107 ( 3.352 -0.115 0.000) 3.354 5.217 ( 10.959 0.096 0.000) 10.959 5.219 ( 10.942 -0.062 0.000) 10.942 5.679 ( -1.599 0.314 0.000) 1.630 5.686 ( -1.728 -0.407 0.000) 1.775 5.784 ( -0.239 0.257 0.000) 0.351 5.789 ( -0.110 -0.253 0.000) 0.276 5.811 ( 2.021 0.428 0.000) 2.066 5.821 ( 1.761 -0.559 0.000) 1.848 6.088 ( -0.045 0.258 0.000) 0.261 6.098 ( 7.468 -0.751 0.000) 7.506 6.169 ( -4.334 1.689 0.000) 4.651 6.184 ( 14.523 4.820 0.000) 15.302 6.209 ( -2.203 -2.660 0.000) 3.453 6.332 ( 23.340 -14.295 0.000) 27.369 6.468 ( -0.267 0.807 0.000) 0.850 6.480 ( 0.221 -0.509 0.000) 0.555 6.567 ( -0.101 0.007 0.000) 0.101 6.568 ( 0.110 -0.167 0.000) 0.200 6.663 ( 4.240 2.704 0.000) 5.029 6.709 ( 6.973 -2.199 0.000) 7.311 6.855 ( 1.894 0.284 0.000) 1.915 6.861 ( 1.682 -0.225 0.000) 1.697 6.974 ( 0.351 0.475 0.000) 0.591 6.989 ( 1.077 -1.090 0.000) 1.532 7.267 ( -6.119 0.307 0.000) 6.127 7.272 ( -6.164 -0.296 0.000) 6.171 7.458 ( 3.062 0.248 0.000) 3.072 7.465 ( 3.085 -0.443 0.000) 3.116 7.627 ( -0.988 4.241 0.000) 4.354 7.683 ( 2.538 -1.625 0.000) 3.014 8.232 ( -15.316 21.916 0.000) 26.738 8.375 ( -3.582 -2.025 0.000) 4.115 8.387 ( -3.461 -3.318 0.000) 4.794 8.411 ( -2.367 -4.043 0.000) 4.685 8.549 ( -2.967 2.012 0.000) 3.585 8.553 ( -2.848 1.538 0.000) 3.237 9.168 ( -36.517 26.013 0.000) 44.835 9.524 ( -45.725 -13.012 0.000) 47.541 ======================= Grid point 11 (8/50) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 12.622 6.478 0.000) 14.187 0.830 ( 14.846 6.623 0.000) 16.256 0.932 ( 10.910 -10.136 0.000) 14.892 0.954 ( 8.486 -6.351 0.000) 10.599 1.232 ( -1.596 0.388 0.000) 1.643 1.245 ( 1.883 -1.069 0.000) 2.165 1.282 ( 6.339 1.374 0.000) 6.486 1.316 ( 7.633 -1.659 0.000) 7.811 1.605 ( 19.409 11.798 0.000) 22.714 1.765 ( 5.363 4.741 0.000) 7.158 1.782 ( 6.535 -4.669 0.000) 8.031 1.846 ( 4.438 -3.973 0.000) 5.957 1.890 ( -1.680 3.634 0.000) 4.003 1.938 ( 2.430 2.100 0.000) 3.212 1.956 ( 1.326 -4.772 0.000) 4.952 1.979 ( 3.493 -2.249 0.000) 4.154 2.007 ( 10.534 4.049 0.000) 11.285 2.193 ( 13.965 -14.668 0.000) 20.253 2.403 ( 2.698 3.768 0.000) 4.635 2.436 ( 2.198 7.077 0.000) 7.410 2.468 ( 3.527 -2.908 0.000) 4.571 2.524 ( -7.962 0.998 0.000) 8.024 2.532 ( 3.973 -3.339 0.000) 5.190 2.550 ( -8.187 -1.430 0.000) 8.311 2.591 ( 5.260 1.345 0.000) 5.430 2.618 ( 8.152 -1.721 0.000) 8.332 2.633 ( -3.099 2.368 0.000) 3.900 2.670 ( -1.326 -1.707 0.000) 2.162 2.792 ( 3.963 8.857 0.000) 9.703 2.848 ( 2.175 1.363 0.000) 2.567 2.867 ( 3.716 1.426 0.000) 3.980 2.904 ( 2.518 -2.855 0.000) 3.807 3.007 ( 0.042 1.054 0.000) 1.055 3.065 ( -2.726 -4.296 0.000) 5.088 3.083 ( 4.169 2.387 0.000) 4.804 3.121 ( 3.579 -1.835 0.000) 4.022 3.271 ( 1.568 3.478 0.000) 3.815 3.322 ( 1.680 -1.229 0.000) 2.082 3.375 ( -1.923 3.185 0.000) 3.720 3.467 ( -3.760 -6.785 0.000) 7.757 3.500 ( 3.797 -0.195 0.000) 3.802 3.516 ( 3.506 -1.204 0.000) 3.708 3.686 ( -3.890 2.765 0.000) 4.772 3.714 ( -2.840 2.339 0.000) 3.679 3.744 ( -3.534 -3.436 0.000) 4.929 3.755 ( -2.914 -1.937 0.000) 3.499 3.895 ( -0.574 1.993 0.000) 2.074 3.917 ( -0.121 -0.466 0.000) 0.481 4.075 ( 5.531 0.426 0.000) 5.548 4.084 ( 5.641 -0.512 0.000) 5.664 4.129 ( -0.919 0.962 0.000) 1.331 4.154 ( -0.140 -1.702 0.000) 1.707 4.623 ( -8.298 0.570 0.000) 8.317 4.633 ( -7.899 -0.513 0.000) 7.915 4.703 ( -6.031 1.223 0.000) 6.153 4.727 ( -6.215 -1.314 0.000) 6.353 5.198 ( 5.452 0.049 0.000) 5.453 5.199 ( 5.407 -0.010 0.000) 5.407 5.526 ( 18.259 0.094 0.000) 18.259 5.527 ( 18.328 -0.070 0.000) 18.328 5.630 ( -3.170 0.140 0.000) 3.173 5.634 ( -3.327 -0.251 0.000) 3.336 5.788 ( 0.713 0.298 0.000) 0.773 5.794 ( 0.686 -0.317 0.000) 0.755 5.857 ( 1.737 0.114 0.000) 1.741 5.861 ( 1.963 -0.249 0.000) 1.979 6.032 ( -3.060 0.114 0.000) 3.063 6.043 ( -2.803 -1.131 0.000) 3.023 6.083 ( -3.670 3.221 0.000) 4.883 6.159 ( -2.397 -5.110 0.000) 5.644 6.475 ( 0.789 1.195 0.000) 1.432 6.491 ( 0.679 -0.665 0.000) 0.951 6.537 ( 0.089 0.701 0.000) 0.707 6.548 ( 0.669 -0.666 0.000) 0.944 6.629 ( 15.653 4.581 0.000) 16.309 6.713 ( 11.131 -4.710 0.000) 12.086 6.740 ( 2.790 6.110 0.000) 6.717 6.833 ( 3.941 -3.605 0.000) 5.341 6.871 ( -0.398 2.925 0.000) 2.952 6.895 ( 1.391 -0.409 0.000) 1.450 6.986 ( 0.702 1.274 0.000) 1.455 7.034 ( 3.245 -4.395 0.000) 5.463 7.081 ( -11.559 0.111 0.000) 11.560 7.085 ( -11.939 -0.282 0.000) 11.942 7.553 ( 5.915 -0.168 0.000) 5.918 7.562 ( 6.417 -1.315 0.000) 6.550 7.599 ( -1.559 10.238 0.000) 10.356 7.756 ( 4.417 -6.453 0.000) 7.820 7.978 ( -7.712 19.456 0.000) 20.929 8.269 ( -6.568 -1.915 0.000) 6.841 8.284 ( -6.468 -2.970 0.000) 7.117 8.301 ( -10.557 -15.318 0.000) 18.604 8.464 ( -4.922 3.000 0.000) 5.764 8.485 ( -3.398 0.363 0.000) 3.417 8.723 ( -25.291 0.445 0.000) 25.295 8.725 ( -14.481 0.143 0.000) 14.482 ======================= Grid point 12 (9/50) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 7.688 4.228 0.000) 8.774 1.076 ( 3.981 -4.285 0.000) 5.849 1.076 ( 3.166 0.687 0.000) 3.240 1.092 ( 7.763 -1.086 0.000) 7.839 1.238 ( 4.807 5.506 0.000) 7.309 1.344 ( 7.605 -5.874 0.000) 9.609 1.491 ( 9.732 -0.005 0.000) 9.732 1.515 ( 8.456 -1.957 0.000) 8.679 1.705 ( -3.280 4.582 0.000) 5.635 1.788 ( -2.226 -4.068 0.000) 4.637 1.884 ( 4.503 3.096 0.000) 5.465 1.936 ( 4.951 6.351 0.000) 8.053 1.937 ( 2.395 -2.549 0.000) 3.498 1.989 ( 2.102 1.502 0.000) 2.583 2.019 ( 0.811 -1.759 0.000) 1.937 2.039 ( 5.879 -4.724 0.000) 7.542 2.329 ( 11.069 1.177 0.000) 11.131 2.361 ( -7.086 1.518 0.000) 7.247 2.374 ( -4.817 0.118 0.000) 4.819 2.396 ( 3.725 -4.872 0.000) 6.133 2.465 ( 1.423 2.664 0.000) 3.020 2.478 ( -6.117 3.865 0.000) 7.236 2.484 ( 2.241 3.629 0.000) 4.265 2.539 ( 2.523 -5.315 0.000) 5.883 2.678 ( 6.598 -2.539 0.000) 7.070 2.704 ( 7.632 -4.151 0.000) 8.688 2.713 ( 5.716 4.106 0.000) 7.038 2.771 ( 5.927 -2.438 0.000) 6.409 2.903 ( 4.064 2.950 0.000) 5.021 2.916 ( 2.939 1.054 0.000) 3.122 2.944 ( 1.485 0.532 0.000) 1.578 2.955 ( 4.245 -0.590 0.000) 4.286 3.024 ( 0.506 2.206 0.000) 2.263 3.057 ( 5.825 -1.397 0.000) 5.990 3.130 ( -0.238 0.850 0.000) 0.883 3.167 ( 0.188 -2.809 0.000) 2.816 3.281 ( -0.213 4.355 0.000) 4.361 3.301 ( -4.840 1.620 0.000) 5.104 3.342 ( -0.350 -2.410 0.000) 2.435 3.356 ( -6.216 -3.811 0.000) 7.291 3.559 ( -0.123 0.675 0.000) 0.686 3.578 ( 1.324 -1.144 0.000) 1.750 3.601 ( -4.083 2.624 0.000) 4.853 3.666 ( -3.850 -4.519 0.000) 5.937 3.689 ( 2.052 1.134 0.000) 2.345 3.703 ( 0.240 -0.361 0.000) 0.433 3.860 ( -2.934 2.217 0.000) 3.677 3.882 ( -3.332 0.090 0.000) 3.333 4.158 ( 3.595 1.653 0.000) 3.957 4.191 ( 3.425 -1.783 0.000) 3.862 4.210 ( 7.300 0.221 0.000) 7.303 4.222 ( 7.450 -0.993 0.000) 7.516 4.442 ( -8.648 0.877 0.000) 8.692 4.454 ( -8.607 -0.486 0.000) 8.621 4.558 ( -7.872 0.979 0.000) 7.933 4.577 ( -8.096 -1.092 0.000) 8.169 5.319 ( 6.092 0.016 0.000) 6.092 5.320 ( 6.103 -0.013 0.000) 6.103 5.550 ( -4.635 0.011 0.000) 4.635 5.551 ( -4.724 -0.106 0.000) 4.725 5.814 ( 1.699 0.167 0.000) 1.707 5.818 ( 1.557 -0.229 0.000) 1.574 5.859 ( 1.099 0.471 0.000) 1.196 5.867 ( 1.990 -0.333 0.000) 2.017 5.944 ( 19.239 0.129 0.000) 19.239 5.951 ( 14.583 -0.585 0.000) 14.595 5.991 ( 2.924 1.820 0.000) 3.444 6.021 ( -2.388 3.906 0.000) 4.578 6.038 ( 2.435 -3.407 0.000) 4.188 6.112 ( -2.204 -6.086 0.000) 6.473 6.495 ( 0.971 0.604 0.000) 1.144 6.504 ( 0.537 -0.495 0.000) 0.731 6.528 ( -0.338 0.613 0.000) 0.700 6.538 ( -0.653 -0.548 0.000) 0.852 6.771 ( -4.007 6.214 0.000) 7.394 6.781 ( -15.671 0.077 0.000) 15.672 6.786 ( -12.905 1.659 0.000) 13.011 6.817 ( -0.810 6.760 0.000) 6.808 6.875 ( 0.375 -2.604 0.000) 2.630 6.877 ( 3.185 -0.911 0.000) 3.313 6.901 ( 6.755 1.042 0.000) 6.835 6.931 ( 4.250 -0.994 0.000) 4.365 6.997 ( 0.044 2.379 0.000) 2.379 7.103 ( 1.442 -10.110 0.000) 10.213 7.583 ( 0.880 16.501 0.000) 16.525 7.681 ( 5.260 0.737 0.000) 5.312 7.721 ( 8.621 -3.528 0.000) 9.315 7.848 ( 3.836 -12.391 0.000) 12.971 7.902 ( -0.601 4.131 0.000) 4.175 7.997 ( -12.794 -6.295 0.000) 14.258 8.112 ( -8.450 -1.128 0.000) 8.525 8.128 ( -8.475 -1.944 0.000) 8.695 8.371 ( -3.236 5.330 0.000) 6.236 8.430 ( -1.712 -1.673 0.000) 2.393 8.468 ( -4.498 2.506 0.000) 5.149 8.498 ( -8.843 -0.826 0.000) 8.881 ======================= Grid point 13 (10/50) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -1.734 1.830 0.000) 2.521 1.091 ( 1.734 1.830 0.000) 2.521 1.128 ( -1.220 -2.166 0.000) 2.486 1.128 ( 1.220 -2.166 0.000) 2.486 1.431 ( -10.012 4.265 0.000) 10.882 1.431 ( 10.012 4.265 0.000) 10.882 1.514 ( -7.521 -4.709 0.000) 8.873 1.514 ( 7.521 -4.709 0.000) 8.873 1.816 ( -10.591 3.073 0.000) 11.028 1.816 ( 10.591 3.073 0.000) 11.028 1.872 ( -5.753 -2.786 0.000) 6.392 1.872 ( 5.753 -2.786 0.000) 6.392 2.008 ( -1.801 3.152 0.000) 3.630 2.008 ( 1.801 3.152 0.000) 3.630 2.079 ( -1.976 -5.184 0.000) 5.548 2.079 ( 1.976 -5.184 0.000) 5.548 2.309 ( -4.240 5.367 0.000) 6.840 2.309 ( 4.240 5.367 0.000) 6.840 2.361 ( -1.922 -1.248 0.000) 2.291 2.361 ( 1.922 -1.248 0.000) 2.291 2.472 ( -1.039 3.256 0.000) 3.418 2.472 ( 1.039 3.256 0.000) 3.418 2.556 ( -1.413 -5.327 0.000) 5.511 2.556 ( 1.413 -5.327 0.000) 5.511 2.791 ( -0.178 1.290 0.000) 1.302 2.791 ( 0.178 1.290 0.000) 1.302 2.827 ( -1.456 -2.142 0.000) 2.591 2.827 ( 1.456 -2.142 0.000) 2.591 2.940 ( -2.238 1.923 0.000) 2.951 2.940 ( 2.238 1.923 0.000) 2.951 2.980 ( -3.293 -2.127 0.000) 3.920 2.980 ( 3.293 -2.127 0.000) 3.920 3.091 ( -2.187 5.752 0.000) 6.153 3.091 ( 2.187 5.752 0.000) 6.153 3.177 ( -0.262 -3.775 0.000) 3.784 3.177 ( 0.262 -3.775 0.000) 3.784 3.237 ( -3.201 2.622 0.000) 4.138 3.237 ( 3.201 2.622 0.000) 4.138 3.290 ( -2.251 -2.860 0.000) 3.639 3.290 ( 2.251 -2.860 0.000) 3.639 3.539 ( -1.011 2.116 0.000) 2.345 3.539 ( 1.011 2.116 0.000) 2.345 3.597 ( -2.315 -4.301 0.000) 4.885 3.597 ( 2.315 -4.301 0.000) 4.885 3.775 ( -5.027 1.653 0.000) 5.292 3.775 ( 5.027 1.653 0.000) 5.292 3.787 ( -5.429 0.666 0.000) 5.470 3.787 ( 5.429 0.666 0.000) 5.470 4.263 ( -5.837 0.572 0.000) 5.865 4.263 ( 5.837 0.572 0.000) 5.865 4.283 ( -5.055 -1.612 0.000) 5.306 4.283 ( 5.055 -1.612 0.000) 5.306 4.392 ( -7.451 1.120 0.000) 7.535 4.392 ( 7.451 1.120 0.000) 7.535 4.407 ( -7.685 -0.465 0.000) 7.699 4.407 ( 7.685 -0.465 0.000) 7.699 5.442 ( -5.726 -0.016 0.000) 5.726 5.442 ( 5.726 -0.016 0.000) 5.726 5.442 ( -5.710 -0.038 0.000) 5.710 5.442 ( 5.710 -0.038 0.000) 5.710 5.845 ( -1.163 0.402 0.000) 1.231 5.845 ( 1.163 0.402 0.000) 1.231 5.853 ( -1.622 -0.408 0.000) 1.672 5.853 ( 1.622 -0.408 0.000) 1.672 5.986 ( -1.010 3.369 0.000) 3.518 5.986 ( 1.010 3.369 0.000) 3.518 6.068 ( -2.162 -5.580 0.000) 5.984 6.068 ( 2.162 -5.580 0.000) 5.984 6.380 ( -19.520 0.233 0.000) 19.521 6.380 ( 19.520 0.233 0.000) 19.521 6.383 ( -19.469 -0.187 0.000) 19.470 6.383 ( 19.469 -0.187 0.000) 19.470 6.525 ( -0.402 0.108 0.000) 0.416 6.525 ( 0.402 0.108 0.000) 0.416 6.529 ( -0.307 -0.364 0.000) 0.476 6.529 ( 0.307 -0.364 0.000) 0.476 6.791 ( -1.034 8.446 0.000) 8.509 6.791 ( 1.034 8.446 0.000) 8.509 6.882 ( -0.358 -1.846 0.000) 1.880 6.882 ( 0.358 -1.846 0.000) 1.880 6.980 ( -1.922 1.895 0.000) 2.699 6.980 ( 1.922 1.895 0.000) 2.699 7.063 ( -5.143 -6.366 0.000) 8.184 7.063 ( 5.143 -6.366 0.000) 8.184 7.656 ( -5.650 10.707 0.000) 12.106 7.656 ( 5.650 10.707 0.000) 12.106 7.875 ( -3.029 -12.724 0.000) 13.080 7.875 ( 3.029 -12.724 0.000) 13.080 7.942 ( -6.222 0.757 0.000) 6.268 7.942 ( 6.222 0.757 0.000) 6.268 7.958 ( -6.821 -0.968 0.000) 6.890 7.958 ( 6.821 -0.968 0.000) 6.890 8.367 ( -3.331 4.464 0.000) 5.570 8.367 ( 3.331 4.464 0.000) 5.570 8.420 ( -0.806 -1.658 0.000) 1.844 8.420 ( 0.806 -1.658 0.000) 1.844 ======================= Grid point 27 (11/50) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 0.000 0.000 16.714) 16.714 0.373 ( 0.000 0.000 17.539) 17.539 0.747 ( 0.000 0.000 33.478) 33.478 0.795 ( 0.000 0.000 -3.360) 3.360 1.025 ( 0.000 0.000 -4.718) 4.718 1.082 ( 0.000 0.000 -2.107) 2.107 1.128 ( 0.000 0.000 1.699) 1.699 1.279 ( 0.000 0.000 -1.365) 1.365 1.366 ( 0.000 0.000 4.900) 4.900 1.585 ( 0.000 0.000 0.394) 0.394 1.637 ( 0.000 0.000 3.394) 3.394 1.732 ( 0.000 0.000 3.309) 3.309 1.748 ( 0.000 0.000 -0.428) 0.428 1.843 ( 0.000 0.000 1.187) 1.187 1.945 ( 0.000 0.000 0.791) 0.791 2.101 ( 0.000 0.000 -0.422) 0.422 2.166 ( 0.000 0.000 12.291) 12.291 2.181 ( 0.000 0.000 13.911) 13.911 2.285 ( 0.000 0.000 5.574) 5.574 2.308 ( 0.000 0.000 -3.315) 3.315 2.418 ( 0.000 0.000 3.840) 3.840 2.439 ( 0.000 0.000 5.002) 5.002 2.449 ( 0.000 0.000 3.342) 3.342 2.451 ( 0.000 0.000 2.849) 2.849 2.515 ( 0.000 0.000 5.593) 5.593 2.692 ( 0.000 0.000 -5.005) 5.005 2.723 ( 0.000 0.000 -1.888) 1.888 2.744 ( 0.000 0.000 -4.178) 4.178 2.746 ( 0.000 0.000 2.253) 2.253 2.820 ( 0.000 0.000 -0.372) 0.372 2.824 ( 0.000 0.000 2.618) 2.618 2.893 ( 0.000 0.000 4.109) 4.109 2.911 ( 0.000 0.000 3.235) 3.235 3.074 ( 0.000 0.000 -1.186) 1.186 3.075 ( 0.000 0.000 2.989) 2.989 3.104 ( 0.000 0.000 -1.480) 1.480 3.240 ( 0.000 0.000 2.679) 2.679 3.314 ( 0.000 0.000 -0.501) 0.501 3.367 ( 0.000 0.000 1.559) 1.559 3.380 ( 0.000 0.000 0.641) 0.641 3.449 ( 0.000 0.000 0.730) 0.730 3.566 ( 0.000 0.000 -1.398) 1.398 3.717 ( 0.000 0.000 0.126) 0.126 3.753 ( 0.000 0.000 -2.582) 2.582 3.812 ( 0.000 0.000 -0.520) 0.520 3.828 ( 0.000 0.000 -2.167) 2.167 3.896 ( 0.000 0.000 2.763) 2.763 3.907 ( 0.000 0.000 1.167) 1.167 3.962 ( 0.000 0.000 -0.205) 0.205 3.967 ( 0.000 0.000 1.030) 1.030 4.219 ( 0.000 0.000 -6.139) 6.139 4.229 ( 0.000 0.000 -3.118) 3.118 4.731 ( 0.000 0.000 -4.802) 4.802 4.776 ( 0.000 0.000 -3.905) 3.905 4.814 ( 0.000 0.000 -1.622) 1.622 4.824 ( 0.000 0.000 -4.920) 4.920 5.135 ( 0.000 0.000 3.316) 3.316 5.137 ( 0.000 0.000 3.258) 3.258 5.177 ( 0.000 0.000 10.830) 10.830 5.180 ( 0.000 0.000 10.479) 10.479 5.741 ( 0.000 0.000 -1.597) 1.597 5.752 ( 0.000 0.000 -1.512) 1.512 5.782 ( 0.000 0.000 0.390) 0.390 5.787 ( 0.000 0.000 -0.217) 0.217 5.798 ( 0.000 0.000 0.700) 0.700 5.816 ( 0.000 0.000 0.690) 0.690 6.057 ( 0.000 0.000 25.340) 25.340 6.058 ( 0.000 0.000 -2.663) 2.663 6.172 ( 0.000 0.000 -1.143) 1.143 6.177 ( 0.000 0.000 -0.085) 0.085 6.218 ( 0.000 0.000 -1.455) 1.455 6.475 ( 0.000 0.000 -0.082) 0.082 6.488 ( 0.000 0.000 0.405) 0.405 6.550 ( 0.000 0.000 -0.366) 0.366 6.565 ( 0.000 0.000 -0.281) 0.281 6.632 ( 0.000 0.000 1.778) 1.778 6.679 ( 0.000 0.000 4.858) 4.858 6.764 ( 0.000 0.000 -0.313) 0.313 6.789 ( 0.000 0.000 -3.599) 3.599 6.849 ( 0.000 0.000 -2.806) 2.806 6.973 ( 0.000 0.000 5.456) 5.456 7.034 ( 0.000 0.000 3.614) 3.614 7.361 ( 0.000 0.000 -6.117) 6.117 7.371 ( 0.000 0.000 -6.231) 6.231 7.371 ( 0.000 0.000 3.106) 3.106 7.376 ( 0.000 0.000 4.607) 4.607 7.621 ( 0.000 0.000 -2.626) 2.626 7.653 ( 0.000 0.000 3.814) 3.814 7.671 ( 0.000 0.000 1.860) 1.860 8.402 ( 0.000 0.000 -4.348) 4.348 8.438 ( 0.000 0.000 -0.231) 0.231 8.448 ( 0.000 0.000 -3.572) 3.572 8.496 ( 0.000 0.000 -3.359) 3.359 8.534 ( 0.000 0.000 -2.203) 2.203 8.903 ( 0.000 0.000 -6.545) 6.545 9.651 ( 0.000 0.000 -41.741) 41.741 ======================= Grid point 28 (12/50) ======================= q-point: ( 0.12 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 9.521 0.000 6.604) 11.587 0.629 ( 14.741 0.000 13.615) 20.067 0.839 ( 5.704 0.000 -1.872) 6.004 0.989 ( 18.078 0.000 17.162) 24.927 1.040 ( 1.507 0.000 -2.262) 2.718 1.089 ( 8.614 0.000 0.880) 8.659 1.178 ( -5.143 0.000 -1.346) 5.316 1.213 ( 6.251 0.000 2.855) 6.872 1.392 ( -0.469 0.000 4.748) 4.771 1.608 ( 3.446 0.000 0.339) 3.463 1.718 ( 5.187 0.000 2.240) 5.650 1.748 ( 2.153 0.000 0.598) 2.235 1.826 ( 6.707 0.000 2.960) 7.331 1.881 ( 3.532 0.000 1.055) 3.686 1.964 ( 1.388 0.000 1.734) 2.221 2.064 ( -3.260 0.000 0.352) 3.279 2.151 ( -1.115 0.000 11.930) 11.982 2.273 ( 8.541 0.000 12.852) 15.431 2.309 ( 2.918 0.000 -0.307) 2.934 2.380 ( -1.708 0.000 2.021) 2.647 2.393 ( 0.016 0.000 2.445) 2.445 2.406 ( 7.827 0.000 0.694) 7.858 2.457 ( 0.825 0.000 1.631) 1.828 2.508 ( 2.267 0.000 0.151) 2.272 2.591 ( 5.566 0.000 6.556) 8.600 2.674 ( -2.658 0.000 -1.806) 3.213 2.711 ( -0.934 0.000 1.531) 1.794 2.745 ( -0.264 0.000 -0.682) 0.731 2.779 ( 2.099 0.000 -0.726) 2.221 2.785 ( -1.697 0.000 4.086) 4.424 2.862 ( -0.850 0.000 4.494) 4.573 2.904 ( 5.254 0.000 2.462) 5.802 2.912 ( 1.417 0.000 1.537) 2.091 3.052 ( -0.733 0.000 1.094) 1.317 3.080 ( 0.676 0.000 1.935) 2.050 3.142 ( 2.303 0.000 -2.110) 3.124 3.220 ( -1.702 0.000 1.951) 2.589 3.282 ( -1.593 0.000 -2.188) 2.706 3.348 ( -1.186 0.000 -0.784) 1.422 3.398 ( 1.623 0.000 -2.717) 3.165 3.469 ( 1.280 0.000 0.502) 1.375 3.617 ( 1.038 0.000 -1.591) 1.900 3.698 ( -1.962 0.000 -1.388) 2.403 3.731 ( -2.008 0.000 -2.046) 2.867 3.783 ( -2.056 0.000 -1.615) 2.614 3.787 ( -3.046 0.000 -2.761) 4.111 3.864 ( -2.527 0.000 -2.439) 3.512 3.867 ( -1.485 0.000 -0.903) 1.738 4.045 ( 5.597 0.000 3.857) 6.797 4.063 ( 6.630 0.000 5.338) 8.512 4.160 ( -3.776 0.000 -3.043) 4.849 4.194 ( -2.673 0.000 -2.138) 3.423 4.707 ( -2.554 0.000 -3.824) 4.599 4.729 ( -4.444 0.000 -3.105) 5.421 4.783 ( -2.952 0.000 -1.311) 3.230 4.793 ( -2.888 0.000 -4.498) 5.345 5.218 ( 3.677 0.000 10.725) 11.338 5.219 ( 3.738 0.000 10.396) 11.047 5.252 ( 10.846 0.000 3.377) 11.360 5.255 ( 10.801 0.000 3.560) 11.372 5.767 ( 0.534 0.000 3.131) 3.177 5.775 ( 0.217 0.000 3.908) 3.914 5.787 ( -0.073 0.000 0.384) 0.391 5.792 ( 0.210 0.000 0.940) 0.963 5.822 ( 1.911 0.000 0.203) 1.922 5.837 ( 2.212 0.000 1.261) 2.547 6.069 ( -0.724 0.000 -2.472) 2.576 6.117 ( -4.277 0.000 -1.761) 4.625 6.162 ( -3.303 0.000 0.284) 3.316 6.184 ( -1.086 0.000 -1.926) 2.211 6.237 ( 15.042 0.000 11.866) 19.159 6.471 ( 0.623 0.000 1.584) 1.702 6.481 ( 0.400 0.000 0.252) 0.473 6.553 ( -0.170 0.000 0.119) 0.207 6.626 ( 2.884 0.000 1.282) 3.156 6.647 ( 1.341 0.000 0.754) 1.538 6.664 ( 2.272 0.000 2.189) 3.155 6.786 ( 1.837 0.000 3.058) 3.567 6.826 ( -2.035 0.000 -2.544) 3.258 6.829 ( 4.680 0.000 0.258) 4.687 6.995 ( 1.482 0.000 1.039) 1.810 7.029 ( 0.293 0.000 3.823) 3.834 7.297 ( -5.987 0.000 1.869) 6.272 7.298 ( -6.208 0.000 1.567) 6.402 7.412 ( 3.169 0.000 -4.554) 5.548 7.424 ( 4.292 0.000 -3.308) 5.418 7.614 ( -2.636 0.000 2.448) 3.597 7.668 ( 3.297 0.000 -1.755) 3.735 7.679 ( 0.884 0.000 -1.564) 1.797 8.367 ( -3.329 0.000 -4.494) 5.593 8.403 ( -4.312 0.000 -3.718) 5.694 8.436 ( -0.193 0.000 -0.662) 0.689 8.476 ( -1.895 0.000 -3.148) 3.674 8.498 ( -3.335 0.000 -2.168) 3.978 8.838 ( -6.095 0.000 -5.994) 8.548 9.258 ( -33.236 0.000 -31.720) 45.943 ======================= Grid point 29 (13/50) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 9.773 0.000 -1.899) 9.956 0.922 ( 14.088 0.000 11.590) 18.243 1.006 ( 7.032 0.000 -0.593) 7.057 1.068 ( 0.274 0.000 -0.500) 0.570 1.112 ( -0.698 0.000 -5.565) 5.609 1.191 ( 9.722 0.000 -0.364) 9.729 1.375 ( 9.818 0.000 4.000) 10.602 1.408 ( 4.450 0.000 7.151) 8.423 1.539 ( 19.375 0.000 3.339) 19.660 1.727 ( 7.787 0.000 2.500) 8.178 1.805 ( 3.993 0.000 3.090) 5.049 1.811 ( 3.949 0.000 2.465) 4.655 1.955 ( 2.585 0.000 3.265) 4.165 1.987 ( -2.703 0.000 0.744) 2.803 2.014 ( 4.316 0.000 1.255) 4.495 2.015 ( 9.278 0.000 6.059) 11.081 2.157 ( 4.303 0.000 9.885) 10.781 2.353 ( -0.382 0.000 0.629) 0.736 2.380 ( 2.914 0.000 -0.188) 2.921 2.430 ( 2.409 0.000 -0.365) 2.436 2.444 ( 4.068 0.000 -2.235) 4.642 2.505 ( -1.817 0.000 3.115) 3.606 2.540 ( 3.353 0.000 -2.347) 4.093 2.579 ( -2.665 0.000 2.384) 3.576 2.616 ( 5.385 0.000 8.274) 9.872 2.622 ( 7.366 0.000 0.576) 7.389 2.713 ( -5.857 0.000 6.054) 8.423 2.761 ( -0.829 0.000 5.444) 5.507 2.785 ( 6.450 0.000 8.603) 10.752 2.810 ( 4.248 0.000 -3.516) 5.514 2.887 ( 3.918 0.000 3.525) 5.270 2.940 ( 0.921 0.000 0.433) 1.018 3.042 ( 0.881 0.000 3.050) 3.174 3.056 ( 6.823 0.000 1.350) 6.955 3.113 ( -4.891 0.000 0.233) 4.896 3.122 ( 2.983 0.000 -1.071) 3.169 3.211 ( 0.217 0.000 -2.793) 2.802 3.279 ( 1.345 0.000 -3.298) 3.562 3.326 ( -1.281 0.000 -2.295) 2.629 3.428 ( 0.360 0.000 -4.613) 4.627 3.492 ( 1.138 0.000 -2.397) 2.654 3.588 ( -2.810 0.000 0.244) 2.821 3.637 ( -3.783 0.000 -2.330) 4.442 3.682 ( -2.375 0.000 -0.999) 2.577 3.731 ( -2.324 0.000 -4.522) 5.084 3.735 ( -3.094 0.000 -3.337) 4.551 3.809 ( -2.759 0.000 -4.009) 4.867 3.833 ( -2.006 0.000 -4.092) 4.558 4.105 ( 0.256 0.000 -0.305) 0.399 4.164 ( 0.492 0.000 -0.217) 0.537 4.183 ( 6.348 0.000 6.796) 9.300 4.196 ( 6.102 0.000 7.712) 9.834 4.605 ( -7.288 0.000 -0.968) 7.352 4.616 ( -6.380 0.000 -1.549) 6.565 4.698 ( -5.046 0.000 -0.086) 5.047 4.712 ( -4.926 0.000 -2.638) 5.588 5.316 ( 5.636 0.000 10.898) 12.269 5.317 ( 5.659 0.000 10.981) 12.353 5.555 ( 17.806 0.000 2.907) 18.042 5.561 ( 18.171 0.000 3.162) 18.444 5.747 ( -2.654 0.000 8.891) 9.279 5.751 ( -2.177 0.000 8.083) 8.371 5.791 ( 0.729 0.000 0.521) 0.896 5.800 ( 0.729 0.000 0.855) 1.123 5.863 ( 1.784 0.000 0.139) 1.790 5.882 ( 1.574 0.000 2.421) 2.888 6.025 ( -4.003 0.000 -0.506) 4.034 6.041 ( -0.796 0.000 -0.879) 1.186 6.072 ( -4.127 0.000 0.794) 4.202 6.170 ( -0.832 0.000 -3.140) 3.248 6.437 ( 2.800 0.000 -1.434) 3.146 6.503 ( 1.445 0.000 0.801) 1.652 6.532 ( -0.213 0.000 0.298) 0.366 6.628 ( 12.589 0.000 3.972) 13.200 6.637 ( -0.879 0.000 5.484) 5.554 6.674 ( 1.342 0.000 -0.157) 1.352 6.769 ( 5.701 0.000 -1.940) 6.022 6.773 ( -2.972 0.000 -2.133) 3.658 6.840 ( 3.237 0.000 0.266) 3.248 6.935 ( 3.419 0.000 1.939) 3.930 7.003 ( -0.050 0.000 2.131) 2.132 7.096 ( 5.310 0.000 0.477) 5.331 7.113 ( -10.371 0.000 2.005) 10.563 7.115 ( -11.551 0.000 3.064) 11.950 7.506 ( 5.928 0.000 -4.675) 7.550 7.511 ( -4.876 0.000 1.351) 5.060 7.552 ( 5.539 0.000 -2.941) 6.272 7.716 ( 2.987 0.000 -3.767) 4.808 7.772 ( 6.261 0.000 -3.522) 7.183 8.266 ( -6.577 0.000 -4.551) 7.997 8.279 ( -7.306 0.000 -4.451) 8.555 8.390 ( -5.954 0.000 -1.885) 6.245 8.429 ( -0.729 0.000 -1.615) 1.772 8.442 ( -1.764 0.000 -2.564) 3.113 8.528 ( -33.343 0.000 -16.426) 37.170 8.672 ( -9.466 0.000 -4.700) 10.569 ======================= Grid point 30 (14/50) ======================= q-point: ( 0.38 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 9.357 0.000 -3.870) 10.126 1.057 ( -0.466 0.000 -1.639) 1.704 1.080 ( 1.616 0.000 -3.021) 3.426 1.119 ( -0.104 0.000 -4.776) 4.777 1.202 ( 12.880 0.000 8.190) 15.263 1.391 ( 9.045 0.000 0.492) 9.058 1.569 ( 3.715 0.000 3.690) 5.236 1.597 ( 12.178 0.000 7.216) 14.155 1.661 ( -0.700 0.000 0.602) 0.923 1.848 ( 1.119 0.000 2.095) 2.376 1.866 ( 3.521 0.000 2.324) 4.219 1.885 ( 2.923 0.000 2.831) 4.069 2.023 ( 2.028 0.000 5.404) 5.773 2.085 ( 7.634 0.000 5.057) 9.157 2.087 ( 3.480 0.000 4.294) 5.527 2.119 ( 2.697 0.000 6.834) 7.347 2.308 ( -1.943 0.000 -3.263) 3.797 2.312 ( -3.096 0.000 -1.203) 3.322 2.408 ( -2.804 0.000 1.321) 3.100 2.442 ( 11.848 0.000 4.787) 12.778 2.481 ( 2.557 0.000 2.749) 3.754 2.521 ( -0.847 0.000 5.515) 5.579 2.526 ( -6.259 0.000 5.292) 8.197 2.582 ( 3.847 0.000 -0.883) 3.947 2.605 ( 2.816 0.000 -1.823) 3.355 2.760 ( 2.084 0.000 2.028) 2.908 2.797 ( 7.313 0.000 0.865) 7.364 2.815 ( 7.832 0.000 4.684) 9.126 2.885 ( 2.600 0.000 2.841) 3.851 2.910 ( 2.284 0.000 -1.333) 2.644 2.946 ( -0.222 0.000 0.864) 0.892 2.968 ( 3.550 0.000 1.846) 4.001 3.007 ( -2.023 0.000 0.353) 2.053 3.114 ( 5.524 0.000 3.046) 6.308 3.134 ( -0.740 0.000 -0.074) 0.744 3.191 ( 3.241 0.000 -1.684) 3.652 3.196 ( -0.696 0.000 -1.972) 2.091 3.281 ( -3.064 0.000 -0.949) 3.207 3.307 ( -0.036 0.000 -3.478) 3.478 3.381 ( -3.857 0.000 -1.929) 4.313 3.528 ( 2.605 0.000 -5.463) 6.052 3.549 ( -4.384 0.000 -2.408) 5.001 3.559 ( -0.323 0.000 -0.972) 1.024 3.655 ( -0.285 0.000 -2.422) 2.438 3.656 ( -3.261 0.000 -3.873) 5.063 3.681 ( -2.387 0.000 -3.507) 4.243 3.753 ( -2.697 0.000 -6.438) 6.980 3.777 ( -3.657 0.000 -5.998) 7.025 4.157 ( 4.763 0.000 1.909) 5.131 4.212 ( 3.762 0.000 0.858) 3.859 4.318 ( 6.004 0.000 7.381) 9.514 4.320 ( 6.672 0.000 6.964) 9.644 4.445 ( -7.878 0.000 1.557) 8.031 4.459 ( -8.109 0.000 0.452) 8.121 4.581 ( -6.243 0.000 2.249) 6.635 4.595 ( -6.266 0.000 0.684) 6.303 5.441 ( 6.323 0.000 11.012) 12.698 5.442 ( 6.257 0.000 11.269) 12.890 5.672 ( -4.447 0.000 10.662) 11.553 5.679 ( -4.529 0.000 10.718) 11.636 5.818 ( 1.840 0.000 0.502) 1.907 5.822 ( 1.323 0.000 0.623) 1.462 5.865 ( 0.661 0.000 0.903) 1.119 5.885 ( 1.011 0.000 1.537) 1.840 5.939 ( 7.505 0.000 -0.952) 7.565 5.963 ( -1.509 0.000 -0.291) 1.537 5.973 ( 21.060 0.000 2.701) 21.232 6.039 ( 6.776 0.000 3.064) 7.436 6.068 ( 3.641 0.000 -0.527) 3.679 6.147 ( -1.445 0.000 -2.530) 2.913 6.481 ( 1.873 0.000 -0.563) 1.956 6.525 ( -0.051 0.000 0.410) 0.413 6.534 ( 1.446 0.000 2.291) 2.709 6.609 ( -1.636 0.000 5.260) 5.509 6.673 ( -1.151 0.000 -0.998) 1.524 6.700 ( -4.368 0.000 -1.937) 4.778 6.807 ( -14.897 0.000 1.868) 15.014 6.830 ( -11.396 0.000 3.002) 11.785 6.862 ( 1.058 0.000 -0.735) 1.289 6.905 ( 9.432 0.000 1.485) 9.548 6.910 ( 2.359 0.000 1.046) 2.580 6.953 ( 0.107 0.000 1.759) 1.762 7.007 ( -0.203 0.000 2.084) 2.094 7.286 ( 10.702 0.000 -1.601) 10.821 7.346 ( -9.604 0.000 1.603) 9.737 7.635 ( 4.899 0.000 -4.176) 6.437 7.714 ( 8.592 0.000 -4.599) 9.745 7.807 ( 5.692 0.000 -4.930) 7.530 7.896 ( 4.359 0.000 -5.254) 6.826 7.977 ( -18.162 0.000 -8.159) 19.910 8.095 ( -9.368 0.000 -4.359) 10.333 8.127 ( -7.966 0.000 -5.317) 9.578 8.270 ( -4.290 0.000 -0.770) 4.358 8.411 ( -0.730 0.000 -2.761) 2.856 8.419 ( -0.779 0.000 -1.790) 1.952 8.469 ( -9.771 0.000 -3.134) 10.261 ======================= Grid point 31 (15/50) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -3.490 0.000 -3.355) 4.841 1.028 ( 3.490 0.000 -3.355) 4.841 1.105 ( -0.975 0.000 -3.772) 3.896 1.105 ( 0.975 0.000 -3.772) 3.896 1.437 ( -9.065 0.000 4.531) 10.134 1.437 ( 9.065 0.000 4.531) 10.134 1.583 ( -6.515 0.000 2.156) 6.862 1.583 ( 6.515 0.000 2.156) 6.862 1.850 ( -10.760 0.000 5.398) 12.038 1.850 ( 10.760 0.000 5.398) 12.038 1.912 ( -1.935 0.000 2.759) 3.370 1.912 ( 1.935 0.000 2.759) 3.370 2.014 ( -10.439 0.000 2.705) 10.784 2.014 ( 10.439 0.000 2.705) 10.784 2.217 ( -4.524 0.000 3.651) 5.814 2.217 ( 4.524 0.000 3.651) 5.814 2.276 ( -8.790 0.000 4.502) 9.875 2.276 ( 8.790 0.000 4.502) 9.875 2.368 ( -2.051 0.000 1.553) 2.572 2.368 ( 2.051 0.000 1.553) 2.572 2.507 ( -1.290 0.000 5.199) 5.357 2.507 ( 1.290 0.000 5.199) 5.357 2.618 ( -2.707 0.000 0.885) 2.848 2.618 ( 2.707 0.000 0.885) 2.848 2.746 ( -8.742 0.000 -2.721) 9.155 2.746 ( 8.742 0.000 -2.721) 9.155 2.850 ( -4.416 0.000 0.315) 4.428 2.850 ( 4.416 0.000 0.316) 4.428 2.930 ( -3.193 0.000 0.474) 3.228 2.930 ( 3.193 0.000 0.474) 3.228 3.008 ( -3.430 0.000 0.865) 3.537 3.008 ( 3.430 0.000 0.865) 3.537 3.045 ( -4.348 0.000 0.108) 4.350 3.045 ( 4.348 0.000 0.108) 4.350 3.210 ( -2.434 0.000 -0.810) 2.565 3.210 ( 2.434 0.000 -0.810) 2.565 3.216 ( -2.588 0.000 0.197) 2.596 3.216 ( 2.588 0.000 0.197) 2.596 3.308 ( -2.612 0.000 -0.511) 2.661 3.308 ( 2.612 0.000 -0.511) 2.661 3.512 ( -1.976 0.000 -1.158) 2.290 3.512 ( 1.976 0.000 -1.158) 2.290 3.598 ( -3.876 0.000 -4.608) 6.021 3.598 ( 3.876 0.000 -4.608) 6.021 3.686 ( -4.582 0.000 -5.938) 7.500 3.686 ( 4.582 0.000 -5.938) 7.500 3.699 ( -2.503 0.000 -5.408) 5.959 3.699 ( 2.503 0.000 -5.408) 5.959 4.285 ( -7.251 0.000 2.786) 7.768 4.285 ( 7.251 0.000 2.786) 7.768 4.311 ( -5.939 0.000 1.207) 6.060 4.311 ( 5.939 0.000 1.207) 6.060 4.448 ( -6.523 0.000 5.056) 8.253 4.448 ( 6.523 0.000 5.056) 8.253 4.460 ( -6.709 0.000 4.432) 8.041 4.460 ( 6.709 0.000 4.432) 8.041 5.567 ( -5.722 0.000 11.269) 12.639 5.567 ( 5.722 0.000 11.269) 12.639 5.569 ( -5.967 0.000 11.172) 12.665 5.569 ( 5.967 0.000 11.172) 12.665 5.846 ( -0.766 0.000 0.511) 0.921 5.846 ( 0.766 0.000 0.511) 0.921 5.863 ( -1.709 0.000 0.731) 1.859 5.863 ( 1.709 0.000 0.731) 1.859 5.953 ( -0.427 0.000 -0.246) 0.493 5.953 ( 0.427 0.000 -0.246) 0.493 6.110 ( -2.152 0.000 -1.654) 2.714 6.110 ( 2.152 0.000 -1.654) 2.714 6.394 ( -18.418 0.000 1.601) 18.487 6.394 ( 18.418 0.000 1.601) 18.487 6.418 ( -19.309 0.000 2.974) 19.537 6.418 ( 19.309 0.000 2.974) 19.537 6.525 ( -0.444 0.000 0.037) 0.445 6.525 ( 0.444 0.000 0.037) 0.445 6.578 ( -0.965 0.000 3.806) 3.926 6.578 ( 0.965 0.000 3.806) 3.926 6.693 ( -1.986 0.000 0.148) 1.991 6.693 ( 1.986 0.000 0.148) 1.991 6.902 ( -1.702 0.000 0.834) 1.895 6.902 ( 1.702 0.000 0.834) 1.895 6.987 ( -1.753 0.000 1.502) 2.309 6.987 ( 1.753 0.000 1.502) 2.309 7.132 ( -10.913 0.000 0.689) 10.934 7.132 ( 10.913 0.000 0.689) 10.934 7.524 ( -12.202 0.000 -3.143) 12.601 7.524 ( 12.202 0.000 -3.143) 12.601 7.877 ( -6.074 0.000 -5.525) 8.211 7.877 ( 6.074 0.000 -5.525) 8.211 7.908 ( -7.905 0.000 -5.050) 9.381 7.908 ( 7.905 0.000 -5.050) 9.381 7.961 ( -7.806 0.000 -5.466) 9.529 7.961 ( 7.806 0.000 -5.466) 9.529 8.291 ( -6.347 0.000 -1.292) 6.477 8.291 ( 6.347 0.000 -1.292) 6.477 8.408 ( -0.282 0.000 -2.282) 2.300 8.408 ( 0.282 0.000 -2.282) 2.300 ======================= Grid point 36 (16/50) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.000 10.395 11.921) 15.816 0.511 ( 0.000 11.136 9.385) 14.563 0.728 ( 0.000 -5.104 5.853) 7.766 0.841 ( 0.000 -11.014 4.139) 11.766 0.947 ( 0.000 14.143 20.751) 25.112 1.092 ( 0.000 0.609 -7.303) 7.328 1.139 ( 0.000 0.084 -7.123) 7.123 1.224 ( 0.000 -7.671 2.943) 8.216 1.436 ( 0.000 6.449 6.479) 9.141 1.606 ( 0.000 -12.987 8.606) 15.579 1.675 ( 0.000 7.292 -2.064) 7.579 1.679 ( 0.000 3.677 2.088) 4.229 1.741 ( 0.000 -0.725 1.348) 1.530 1.832 ( 0.000 -8.744 0.332) 8.751 1.877 ( 0.000 3.972 1.637) 4.296 1.981 ( 0.000 -8.425 5.608) 10.121 2.124 ( 0.000 1.611 4.333) 4.623 2.147 ( 0.000 -1.300 10.215) 10.298 2.327 ( 0.000 2.361 -2.862) 3.710 2.376 ( 0.000 -2.556 2.157) 3.345 2.437 ( 0.000 -0.217 2.975) 2.982 2.440 ( 0.000 0.013 1.291) 1.291 2.459 ( 0.000 0.876 6.763) 6.820 2.471 ( 0.000 -0.248 5.736) 5.742 2.631 ( 0.000 11.849 4.754) 12.767 2.700 ( 0.000 -1.637 -1.953) 2.548 2.714 ( 0.000 4.225 -3.256) 5.334 2.770 ( 0.000 1.092 -0.161) 1.104 2.784 ( 0.000 2.319 -1.228) 2.624 2.830 ( 0.000 3.732 -1.894) 4.185 2.854 ( 0.000 -4.941 0.308) 4.950 2.878 ( 0.000 3.663 1.568) 3.985 2.923 ( 0.000 0.307 3.355) 3.369 2.970 ( 0.000 -7.178 -1.107) 7.263 3.097 ( 0.000 2.831 1.525) 3.216 3.178 ( 0.000 -5.783 2.465) 6.286 3.213 ( 0.000 6.137 -0.707) 6.178 3.292 ( 0.000 -2.802 -0.366) 2.826 3.356 ( 0.000 -0.421 1.391) 1.453 3.365 ( 0.000 -1.253 0.640) 1.407 3.470 ( 0.000 2.433 2.079) 3.200 3.528 ( 0.000 -3.724 1.948) 4.202 3.742 ( 0.000 2.149 -1.728) 2.758 3.754 ( 0.000 0.138 -2.900) 2.904 3.783 ( 0.000 -1.262 -0.626) 1.409 3.803 ( 0.000 -2.413 -1.558) 2.872 3.897 ( 0.000 0.262 2.379) 2.393 3.904 ( 0.000 -0.375 1.628) 1.671 3.975 ( 0.000 0.683 0.964) 1.181 3.979 ( 0.000 0.582 0.598) 0.835 4.200 ( 0.000 -0.897 -3.659) 3.767 4.209 ( 0.000 -1.073 -5.618) 5.719 4.744 ( 0.000 1.265 -4.618) 4.788 4.766 ( 0.000 -1.100 -4.143) 4.286 4.816 ( 0.000 0.200 -2.465) 2.473 4.821 ( 0.000 -0.355 -4.191) 4.206 5.135 ( 0.000 0.062 3.305) 3.306 5.136 ( 0.000 -0.063 3.276) 3.277 5.177 ( 0.000 0.069 10.734) 10.734 5.179 ( 0.000 -0.087 10.558) 10.558 5.743 ( 0.000 0.227 -1.554) 1.570 5.748 ( 0.000 -0.330 -1.487) 1.523 5.783 ( 0.000 0.117 0.108) 0.159 5.786 ( 0.000 -0.157 -0.137) 0.209 5.803 ( 0.000 0.541 0.794) 0.961 5.812 ( 0.000 -0.457 0.741) 0.871 6.055 ( 0.000 -0.127 3.668) 3.670 6.056 ( 0.000 -0.101 18.115) 18.116 6.170 ( 0.000 -0.049 -0.700) 0.701 6.174 ( 0.000 -0.347 -0.108) 0.364 6.239 ( 0.000 3.108 5.773) 6.556 6.369 ( 0.000 -14.120 17.574) 22.544 6.486 ( 0.000 -0.152 0.477) 0.501 6.486 ( 0.000 -0.711 1.636) 1.784 6.558 ( 0.000 0.703 0.004) 0.703 6.570 ( 0.000 -0.764 0.762) 1.079 6.657 ( 0.000 2.574 3.164) 4.079 6.707 ( 0.000 -2.929 6.249) 6.901 6.775 ( 0.000 0.407 -3.162) 3.188 6.784 ( 0.000 -0.517 -3.407) 3.446 7.026 ( 0.000 0.595 3.662) 3.710 7.032 ( 0.000 -0.255 3.767) 3.776 7.359 ( 0.000 0.202 3.020) 3.027 7.364 ( 0.000 0.276 -5.166) 5.174 7.367 ( 0.000 -0.366 2.070) 2.102 7.371 ( 0.000 -0.365 -5.940) 5.951 7.644 ( 0.000 2.233 -1.083) 2.482 7.663 ( 0.000 0.332 2.307) 2.331 8.235 ( 0.000 22.096 -15.420) 26.944 8.369 ( 0.000 -1.916 -4.095) 4.521 8.381 ( 0.000 -3.459 -4.073) 5.344 8.410 ( 0.000 -3.911 -2.389) 4.583 8.547 ( 0.000 2.366 -3.094) 3.895 8.556 ( 0.000 1.147 -2.693) 2.928 9.189 ( 0.000 27.217 -37.351) 46.215 9.548 ( 0.000 -12.723 -44.614) 46.392 ======================= Grid point 37 (17/50) ======================= q-point: ( 0.12 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 8.370 6.378 7.639) 13.003 0.659 ( 10.865 -1.765 5.012) 12.095 0.775 ( 6.135 1.918 11.476) 13.154 0.921 ( 6.495 -10.495 6.472) 13.937 1.090 ( 0.906 1.923 -8.083) 8.358 1.112 ( 5.759 -0.645 0.302) 5.803 1.178 ( 9.526 7.684 3.837) 12.826 1.250 ( 2.069 0.096 -0.338) 2.099 1.456 ( 3.045 8.716 9.065) 12.939 1.674 ( 5.837 -11.051 6.396) 14.040 1.679 ( 2.746 6.166 0.855) 6.803 1.754 ( 5.378 -2.556 1.863) 6.239 1.788 ( 5.170 4.027 2.355) 6.964 1.890 ( 4.385 -3.972 0.588) 5.945 1.906 ( 3.072 0.272 1.794) 3.568 2.007 ( 3.173 -10.536 6.655) 12.859 2.099 ( -1.403 1.225 5.664) 5.962 2.135 ( -0.167 -2.966 9.168) 9.637 2.358 ( 1.995 2.113 -0.431) 2.938 2.386 ( 2.753 -0.939 -0.744) 3.002 2.405 ( -0.489 2.506 2.038) 3.266 2.460 ( 0.523 -2.579 0.468) 2.673 2.491 ( 2.116 3.927 2.266) 5.004 2.543 ( 4.179 -1.586 3.996) 5.996 2.666 ( 1.252 5.182 1.923) 5.667 2.675 ( -2.878 0.285 -1.222) 3.140 2.705 ( 0.598 2.667 3.824) 4.701 2.753 ( -0.528 -0.837 3.408) 3.549 2.779 ( -0.384 2.216 -0.589) 2.325 2.818 ( 1.665 1.602 -0.495) 2.363 2.877 ( -1.318 0.679 3.419) 3.726 2.880 ( 0.946 1.281 3.632) 3.966 2.957 ( 4.717 1.884 -0.432) 5.098 3.011 ( 3.442 -4.103 -1.465) 5.553 3.085 ( -0.976 2.583 2.919) 4.018 3.164 ( -1.933 -4.761 3.124) 6.013 3.212 ( 0.905 4.203 -1.233) 4.472 3.271 ( -0.852 -1.934 -1.765) 2.753 3.345 ( -0.380 0.672 -1.322) 1.531 3.378 ( 1.065 -2.217 -2.443) 3.466 3.484 ( 0.911 2.256 1.762) 3.004 3.555 ( 0.687 -5.454 1.399) 5.672 3.710 ( -2.380 1.615 -2.622) 3.892 3.742 ( -1.750 -0.648 -2.863) 3.417 3.761 ( -1.926 -0.087 -2.001) 2.779 3.781 ( -1.470 -1.002 -2.326) 2.928 3.862 ( -2.267 0.005 -1.539) 2.740 3.864 ( -1.957 -0.253 -1.527) 2.495 4.060 ( 5.896 0.897 4.894) 7.715 4.067 ( 5.992 0.301 4.673) 7.605 4.155 ( -3.090 -0.352 -2.392) 3.923 4.166 ( -2.412 -1.642 -2.241) 3.679 4.714 ( -3.017 0.680 -3.682) 4.808 4.725 ( -3.971 -0.493 -3.279) 5.173 4.784 ( -2.982 0.147 -2.119) 3.661 4.789 ( -2.941 -0.387 -3.751) 4.782 5.218 ( 3.725 0.010 10.637) 11.270 5.219 ( 3.738 -0.019 10.483) 11.129 5.253 ( 10.832 0.106 3.415) 11.358 5.254 ( 10.810 -0.086 3.507) 11.365 5.769 ( 0.467 0.202 3.074) 3.116 5.773 ( 0.308 -0.239 3.343) 3.366 5.788 ( 0.015 0.106 0.865) 0.872 5.790 ( 0.170 -0.165 1.046) 1.072 5.825 ( 1.857 0.330 0.531) 1.960 5.832 ( 1.978 -0.441 1.073) 2.293 6.075 ( -1.034 0.780 -2.153) 2.512 6.097 ( -2.413 -1.661 -1.343) 3.222 6.163 ( -2.439 0.227 -0.302) 2.468 6.172 ( -0.784 -0.794 -1.500) 1.870 6.296 ( 11.713 5.921 10.799) 16.996 6.423 ( 4.660 -7.144 4.321) 9.562 6.487 ( 1.507 0.993 2.396) 3.000 6.528 ( 5.189 -5.135 6.350) 9.676 6.575 ( 1.109 0.576 0.595) 1.384 6.601 ( 1.353 -1.904 1.662) 2.866 6.687 ( 2.841 2.703 1.031) 4.054 6.729 ( 2.448 -2.227 2.517) 4.158 6.816 ( 3.348 0.870 -2.013) 4.002 6.836 ( 4.202 -1.147 -0.855) 4.439 7.025 ( -0.522 0.702 2.836) 2.968 7.029 ( 0.269 -0.005 3.561) 3.571 7.292 ( -5.960 -0.013 1.836) 6.237 7.295 ( -6.172 -0.300 1.654) 6.397 7.404 ( 3.347 0.177 -4.475) 5.592 7.413 ( 3.347 -0.608 -4.338) 5.513 7.645 ( -0.997 2.772 1.325) 3.230 7.672 ( 1.954 -0.102 -0.684) 2.073 8.090 ( -11.061 27.479 -11.093) 31.631 8.330 ( -3.683 -2.035 -4.218) 5.958 8.344 ( -3.579 -3.532 -4.156) 6.524 8.379 ( -3.334 -7.821 -3.378) 9.148 8.517 ( -2.809 2.141 -3.053) 4.669 8.523 ( -3.009 1.335 -2.719) 4.270 8.934 ( -15.877 11.189 -15.233) 24.684 9.156 ( -30.579 -11.328 -29.153) 43.742 ======================= Grid point 38 (18/50) ======================= q-point: ( 0.25 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 10.005 7.395 -0.528) 12.453 0.907 ( 9.683 -9.493 0.690) 13.578 0.961 ( 10.831 4.113 8.620) 14.440 1.035 ( 3.321 -3.645 3.547) 6.074 1.129 ( 2.997 3.168 -5.194) 6.782 1.187 ( 5.530 -2.216 -1.112) 6.060 1.344 ( 8.346 -1.093 3.011) 8.940 1.367 ( 7.705 -3.110 3.106) 8.871 1.657 ( 10.641 9.790 3.484) 14.874 1.767 ( 3.857 -0.521 1.457) 4.156 1.787 ( 7.403 2.610 2.917) 8.374 1.855 ( 3.373 -0.557 3.499) 4.891 1.962 ( 4.695 -1.196 3.167) 5.789 1.966 ( 3.403 0.088 2.750) 4.376 1.993 ( 8.806 -0.003 2.955) 9.288 2.026 ( 0.760 0.429 5.147) 5.220 2.124 ( 5.392 0.881 9.251) 10.744 2.269 ( 10.554 -12.795 5.982) 17.632 2.409 ( 2.139 3.232 0.394) 3.896 2.420 ( 1.935 3.312 0.244) 3.843 2.453 ( -0.163 -0.535 -1.230) 1.351 2.470 ( 2.169 -2.011 -1.963) 3.551 2.534 ( 0.140 0.307 -0.995) 1.050 2.569 ( -0.049 -2.955 -0.134) 2.958 2.597 ( -0.806 4.943 2.670) 5.675 2.683 ( 1.967 -3.607 5.372) 6.763 2.709 ( -1.900 2.080 5.821) 6.467 2.741 ( -0.836 -1.752 4.936) 5.304 2.832 ( 4.343 2.892 -1.487) 5.425 2.872 ( 2.470 4.076 3.853) 6.128 2.883 ( 4.075 0.206 2.190) 4.631 2.923 ( 2.838 -0.491 4.210) 5.101 3.040 ( 1.432 0.707 2.098) 2.637 3.073 ( 2.137 -0.580 0.639) 2.305 3.088 ( 0.311 -0.250 0.210) 0.451 3.118 ( 0.487 -1.680 0.346) 1.783 3.240 ( 1.228 3.116 -2.616) 4.250 3.281 ( 1.344 -0.829 -3.261) 3.624 3.337 ( -1.014 1.864 -3.029) 3.698 3.392 ( -0.404 -3.520 -4.202) 5.497 3.499 ( 0.841 1.199 -0.948) 1.744 3.544 ( -1.039 -3.647 0.351) 3.809 3.650 ( -3.536 1.609 -3.030) 4.927 3.686 ( -3.305 -1.887 -3.294) 5.034 3.715 ( -2.526 1.541 -1.830) 3.479 3.742 ( -2.559 -0.747 -2.699) 3.794 3.816 ( -2.192 0.601 -4.627) 5.155 3.827 ( -1.885 -0.611 -4.533) 4.947 4.117 ( 0.498 1.250 -0.246) 1.368 4.144 ( 0.845 -1.751 -0.079) 1.946 4.187 ( 6.314 0.701 7.318) 9.691 4.198 ( 5.908 -0.215 7.488) 9.540 4.608 ( -7.093 0.373 -1.115) 7.190 4.614 ( -6.644 -0.248 -1.415) 6.798 4.700 ( -4.979 0.232 -0.728) 5.037 4.707 ( -4.921 -0.464 -2.001) 5.333 5.317 ( 5.633 0.033 10.904) 12.273 5.317 ( 5.650 -0.021 10.949) 12.320 5.556 ( 17.855 0.163 2.960) 18.099 5.559 ( 18.044 -0.170 3.086) 18.307 5.747 ( -2.531 0.071 8.666) 9.028 5.749 ( -2.288 -0.126 8.276) 8.587 5.793 ( 0.738 0.239 0.688) 1.037 5.797 ( 0.744 -0.261 0.872) 1.176 5.866 ( 1.841 0.374 0.644) 1.985 5.875 ( 1.790 -0.611 1.810) 2.618 6.023 ( -3.525 -0.092 -0.799) 3.615 6.029 ( -2.030 -0.861 -1.035) 2.436 6.088 ( -3.572 1.990 0.374) 4.106 6.136 ( -1.979 -3.153 -1.563) 4.037 6.453 ( 2.416 1.544 -1.206) 3.110 6.481 ( 1.624 -1.625 -0.348) 2.324 6.559 ( -0.143 2.040 1.433) 2.497 6.596 ( -0.747 -2.437 2.713) 3.723 6.663 ( 12.536 3.314 3.303) 13.381 6.716 ( 7.752 -1.711 0.944) 7.994 6.746 ( 2.673 3.283 -0.185) 4.237 6.792 ( 2.896 -0.902 -2.377) 3.854 6.870 ( 1.522 2.999 0.355) 3.382 6.922 ( 2.896 -2.164 1.674) 3.984 7.014 ( -0.169 1.478 2.173) 2.634 7.055 ( 2.491 -3.194 1.849) 4.453 7.110 ( -11.722 -0.080 2.223) 11.931 7.112 ( -11.238 -0.376 2.677) 11.558 7.503 ( 6.079 0.007 -4.531) 7.581 7.515 ( 6.510 -1.340 -4.186) 7.855 7.608 ( -2.236 8.295 0.787) 8.627 7.735 ( 3.782 -4.886 -2.132) 6.536 7.901 ( -6.125 17.572 -6.497) 19.711 8.216 ( -10.878 -11.493 -6.999) 17.303 8.225 ( -8.178 -5.346 -5.112) 11.027 8.243 ( -7.735 -5.846 -4.652) 10.754 8.435 ( -4.807 2.714 -2.615) 6.108 8.453 ( -3.347 0.508 -2.972) 4.505 8.616 ( -16.541 4.360 -8.243) 18.989 8.662 ( -11.035 -1.358 -5.492) 12.401 ======================= Grid point 39 (19/50) ======================= q-point: ( 0.38 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 7.614 4.928 -3.455) 9.705 1.031 ( 3.520 -4.840 -3.048) 6.716 1.069 ( 0.439 0.976 -1.488) 1.833 1.094 ( 1.209 -1.775 -2.096) 3.001 1.261 ( 10.283 5.261 4.594) 12.431 1.349 ( 9.369 -4.322 1.864) 10.485 1.549 ( 6.812 -0.880 4.249) 8.076 1.565 ( 8.314 -2.409 4.325) 9.676 1.712 ( 0.563 4.587 1.938) 5.012 1.792 ( 0.111 -4.247 1.613) 4.544 1.914 ( 2.831 3.520 2.783) 5.306 1.940 ( 4.686 3.295 2.962) 6.449 2.010 ( 0.170 -0.164 4.169) 4.176 2.066 ( 5.307 -2.556 3.931) 7.082 2.097 ( 4.040 -0.844 6.059) 7.331 2.105 ( 2.829 -0.172 7.548) 8.063 2.303 ( 0.932 1.235 -1.771) 2.352 2.324 ( -4.082 -0.014 -1.933) 4.517 2.398 ( 3.359 1.475 2.746) 4.582 2.450 ( 3.304 -3.348 3.286) 5.738 2.478 ( -1.371 -0.717 2.432) 2.883 2.493 ( 0.699 -1.288 -0.403) 1.520 2.546 ( 4.551 3.258 3.412) 6.555 2.579 ( -2.984 0.824 6.533) 7.229 2.676 ( 5.210 4.440 -1.899) 7.104 2.725 ( 2.107 -2.336 3.309) 4.566 2.748 ( 8.122 -1.960 2.229) 8.647 2.780 ( 5.084 -4.037 2.197) 6.854 2.915 ( 1.044 0.507 -1.545) 1.932 2.927 ( 2.039 0.005 0.073) 2.040 2.947 ( 2.653 2.116 2.197) 4.043 2.966 ( 1.442 -0.416 1.848) 2.381 3.049 ( 1.619 3.475 1.644) 4.171 3.098 ( 4.960 -1.861 2.659) 5.928 3.127 ( 0.004 0.924 -0.361) 0.993 3.163 ( 1.335 -2.402 -0.528) 2.798 3.252 ( 0.260 3.941 -2.304) 4.572 3.278 ( -3.428 0.441 -2.566) 4.304 3.301 ( -1.575 -0.640 -2.087) 2.692 3.343 ( -3.062 -3.784 -2.016) 5.269 3.523 ( 0.265 0.275 -3.972) 3.990 3.542 ( 0.252 -1.539 -2.097) 2.614 3.576 ( -2.419 2.052 -2.793) 4.227 3.613 ( -3.739 -2.548 -3.312) 5.607 3.674 ( -0.381 0.936 -2.158) 2.383 3.684 ( -2.257 -0.163 -2.854) 3.642 3.767 ( -2.669 1.208 -6.879) 7.477 3.780 ( -2.889 -0.082 -6.887) 7.469 4.170 ( 4.444 1.389 1.634) 4.934 4.197 ( 3.968 -1.497 1.099) 4.381 4.316 ( 5.991 0.070 7.376) 9.503 4.320 ( 5.878 -0.215 7.456) 9.497 4.450 ( -7.705 0.477 1.138) 7.803 4.457 ( -7.795 -0.269 0.610) 7.823 4.584 ( -6.163 0.329 1.922) 6.464 4.591 ( -6.174 -0.397 1.143) 6.292 5.441 ( 6.285 0.010 11.073) 12.732 5.442 ( 6.254 -0.040 11.170) 12.802 5.673 ( -4.448 0.112 10.618) 11.512 5.677 ( -4.493 -0.259 10.667) 11.578 5.819 ( 1.745 0.127 0.594) 1.848 5.822 ( 1.495 -0.094 0.663) 1.638 5.870 ( 0.659 0.576 0.985) 1.318 5.881 ( 0.752 -0.535 1.330) 1.618 5.951 ( 11.318 0.886 0.086) 11.353 5.963 ( 13.703 -0.422 1.209) 13.762 5.980 ( 3.775 1.658 -0.048) 4.124 6.027 ( 1.912 -3.031 -0.822) 3.677 6.054 ( 5.486 1.331 2.618) 6.223 6.103 ( -0.416 -3.815 -0.531) 3.874 6.492 ( 1.628 0.979 -0.131) 1.904 6.510 ( 1.250 -1.050 0.666) 1.763 6.549 ( -0.595 1.103 1.598) 2.031 6.573 ( -1.300 -1.860 2.565) 3.425 6.761 ( -7.278 4.213 -1.199) 8.494 6.774 ( -0.676 7.387 0.306) 7.424 6.799 ( -12.991 -0.780 1.163) 13.066 6.852 ( -0.942 -0.143 -0.285) 0.994 6.854 ( -6.023 1.557 2.107) 6.569 6.891 ( 3.543 -0.812 1.304) 3.862 6.926 ( 4.840 0.608 1.626) 5.142 6.945 ( 1.808 -1.276 1.325) 2.579 7.019 ( -0.124 2.075 1.927) 2.834 7.115 ( 1.372 -9.277 1.089) 9.441 7.568 ( -0.238 15.201 -1.474) 15.274 7.638 ( 5.679 0.915 -3.983) 6.997 7.677 ( 8.606 -3.212 -4.027) 10.029 7.811 ( 3.000 -10.840 -3.652) 11.826 7.839 ( -0.443 3.427 -5.759) 6.716 7.919 ( -11.347 -5.329 -7.154) 14.434 8.063 ( -8.584 -1.394 -4.598) 9.837 8.079 ( -8.703 -2.053 -4.645) 10.076 8.346 ( -2.983 4.874 -2.212) 6.128 8.401 ( -1.517 -1.545 -2.687) 3.450 8.442 ( -3.940 1.970 -2.372) 5.003 8.466 ( -7.997 -0.623 -2.969) 8.553 ======================= Grid point 40 (20/50) ======================= q-point: (-0.50 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -2.743 1.994 -3.315) 4.743 1.046 ( 2.743 1.994 -3.315) 4.743 1.085 ( -1.461 -2.053 -3.487) 4.302 1.085 ( 1.461 -2.053 -3.487) 4.302 1.469 ( -8.045 3.473 3.838) 9.566 1.469 ( 8.045 3.473 3.838) 9.566 1.540 ( -6.608 -4.144 2.735) 8.266 1.540 ( 6.608 -4.144 2.735) 8.266 1.871 ( -8.961 1.824 4.730) 10.295 1.871 ( 8.961 1.824 4.730) 10.295 1.901 ( -4.791 -1.362 3.281) 5.964 1.901 ( 4.791 -1.362 3.281) 5.964 2.050 ( -5.678 4.058 3.077) 7.627 2.050 ( 5.678 4.058 3.077) 7.627 2.139 ( -0.731 -5.754 4.156) 7.136 2.139 ( 0.731 -5.754 4.156) 7.136 2.336 ( -3.395 3.373 2.588) 5.441 2.336 ( 3.395 3.373 2.588) 5.441 2.367 ( -2.313 -0.470 2.195) 3.223 2.367 ( 2.313 -0.470 2.195) 3.223 2.525 ( -2.597 2.219 4.295) 5.488 2.525 ( 2.597 2.219 4.295) 5.488 2.582 ( -2.007 -3.704 2.078) 4.697 2.582 ( 2.007 -3.704 2.078) 4.697 2.761 ( -3.296 2.429 -2.052) 4.580 2.761 ( 3.296 2.429 -2.052) 4.580 2.819 ( -0.754 -3.370 -0.358) 3.472 2.819 ( 0.754 -3.370 -0.358) 3.472 2.952 ( -3.075 2.623 0.694) 4.101 2.952 ( 3.075 2.623 0.694) 4.101 3.003 ( -2.027 -2.522 1.189) 3.448 3.003 ( 2.027 -2.522 1.189) 3.448 3.090 ( -1.323 5.682 -0.388) 5.847 3.090 ( 1.323 5.682 -0.388) 5.847 3.179 ( -0.297 -3.860 -0.156) 3.875 3.179 ( 0.297 -3.860 -0.156) 3.875 3.234 ( -2.290 2.329 -0.668) 3.334 3.234 ( 2.290 2.329 -0.668) 3.334 3.281 ( -2.799 -2.715 -0.726) 3.967 3.281 ( 2.799 -2.715 -0.726) 3.967 3.521 ( -2.052 1.323 -1.536) 2.884 3.521 ( 2.052 1.323 -1.536) 2.884 3.561 ( -1.754 -3.078 -2.790) 4.510 3.561 ( 1.754 -3.078 -2.790) 4.510 3.701 ( -3.079 1.521 -6.425) 7.286 3.701 ( 3.079 1.521 -6.425) 7.286 3.713 ( -2.857 0.391 -6.037) 6.691 3.713 ( 2.857 0.391 -6.037) 6.691 4.288 ( -6.645 0.393 2.508) 7.113 4.288 ( 6.645 0.393 2.508) 7.113 4.300 ( -5.962 -0.953 1.745) 6.285 4.300 ( 5.962 -0.953 1.745) 6.285 4.454 ( -6.283 0.498 4.862) 7.960 4.454 ( 6.283 0.498 4.862) 7.960 4.460 ( -6.360 -0.145 4.522) 7.805 4.460 ( 6.360 -0.145 4.522) 7.805 5.567 ( -5.101 0.024 11.197) 12.304 5.567 ( 5.102 0.024 11.197) 12.304 5.568 ( -5.229 -0.118 11.178) 12.341 5.568 ( 5.229 -0.118 11.178) 12.341 5.851 ( -1.014 0.469 0.591) 1.264 5.851 ( 1.014 0.469 0.591) 1.264 5.859 ( -1.497 -0.449 0.697) 1.711 5.859 ( 1.497 -0.449 0.697) 1.711 5.979 ( -0.844 3.044 -0.475) 3.195 5.979 ( 0.844 3.044 -0.475) 3.195 6.053 ( -1.714 -5.030 -1.112) 5.429 6.053 ( 1.714 -5.030 -1.112) 5.429 6.405 ( -18.518 0.789 2.217) 18.667 6.405 ( 18.518 0.789 2.217) 18.667 6.415 ( -18.964 -0.338 2.823) 19.176 6.415 ( 18.964 -0.338 2.823) 19.176 6.532 ( -0.535 0.791 0.662) 1.162 6.532 ( 0.535 0.791 0.662) 1.162 6.552 ( -0.649 -1.590 2.132) 2.738 6.552 ( 0.649 -1.590 2.132) 2.738 6.794 ( -1.320 8.322 0.308) 8.431 6.794 ( 1.320 8.322 0.308) 8.431 6.888 ( -1.604 -2.178 0.589) 2.768 6.888 ( 1.604 -2.178 0.589) 2.768 6.996 ( -2.231 1.711 1.468) 3.172 6.996 ( 2.231 1.711 1.468) 3.172 7.071 ( -5.486 -6.017 0.746) 8.177 7.071 ( 5.486 -6.017 0.746) 8.177 7.622 ( -5.026 10.397 -3.266) 12.001 7.622 ( 5.026 10.397 -3.266) 12.001 7.830 ( -2.372 -11.861 -4.372) 12.862 7.830 ( 2.372 -11.861 -4.372) 12.862 7.886 ( -7.226 0.733 -5.259) 8.968 7.886 ( 7.226 0.733 -5.259) 8.968 7.902 ( -7.481 -0.967 -5.257) 9.194 7.902 ( 7.481 -0.967 -5.257) 9.194 8.345 ( -3.177 4.097 -2.020) 5.564 8.345 ( 3.177 4.097 -2.020) 5.564 8.395 ( -0.958 -1.655 -2.291) 2.984 8.395 ( 0.958 -1.655 -2.291) 2.984 ======================= Grid point 54 (21/50) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 0.000 0.000 14.797) 14.797 0.715 ( 0.000 0.000 15.451) 15.451 0.828 ( 0.000 0.000 6.277) 6.277 0.945 ( 0.000 0.000 -1.054) 1.054 1.129 ( 0.000 0.000 6.954) 6.954 1.145 ( 0.000 0.000 4.124) 4.124 1.232 ( 0.000 0.000 -2.260) 2.260 1.344 ( 0.000 0.000 17.299) 17.299 1.492 ( 0.000 0.000 5.589) 5.589 1.651 ( 0.000 0.000 7.273) 7.273 1.738 ( 0.000 0.000 5.864) 5.864 1.786 ( 0.000 0.000 2.446) 2.446 1.873 ( 0.000 0.000 13.246) 13.246 1.884 ( 0.000 0.000 2.680) 2.680 1.978 ( 0.000 0.000 1.603) 1.603 2.121 ( 0.000 0.000 2.224) 2.224 2.218 ( 0.000 0.000 -4.380) 4.380 2.410 ( 0.000 0.000 4.214) 4.214 2.432 ( 0.000 0.000 11.952) 11.952 2.472 ( 0.000 0.000 4.198) 4.198 2.472 ( 0.000 0.000 -0.518) 0.518 2.493 ( 0.000 0.000 3.686) 3.686 2.516 ( 0.000 0.000 8.985) 8.985 2.517 ( 0.000 0.000 3.035) 3.035 2.582 ( 0.000 0.000 -2.107) 2.107 2.618 ( 0.000 0.000 -6.721) 6.721 2.647 ( 0.000 0.000 -3.470) 3.470 2.731 ( 0.000 0.000 11.982) 11.982 2.833 ( 0.000 0.000 2.561) 2.561 2.838 ( 0.000 0.000 2.647) 2.647 2.892 ( 0.000 0.000 6.347) 6.347 2.951 ( 0.000 0.000 0.623) 0.623 3.001 ( 0.000 0.000 1.937) 1.937 3.072 ( 0.000 0.000 -1.669) 1.669 3.107 ( 0.000 0.000 7.412) 7.412 3.148 ( 0.000 0.000 3.140) 3.140 3.275 ( 0.000 0.000 0.208) 0.208 3.295 ( 0.000 0.000 -1.957) 1.957 3.411 ( 0.000 0.000 3.223) 3.223 3.414 ( 0.000 0.000 2.857) 2.857 3.477 ( 0.000 0.000 1.253) 1.253 3.499 ( 0.000 0.000 -5.164) 5.164 3.673 ( 0.000 0.000 -4.647) 4.647 3.685 ( 0.000 0.000 -3.561) 3.561 3.755 ( 0.000 0.000 -3.725) 3.725 3.821 ( 0.000 0.000 1.054) 1.054 3.952 ( 0.000 0.000 -0.969) 0.969 3.972 ( 0.000 0.000 4.691) 4.691 3.973 ( 0.000 0.000 -0.797) 0.797 3.983 ( 0.000 0.000 5.594) 5.594 4.149 ( 0.000 0.000 -0.459) 0.459 4.186 ( 0.000 0.000 -0.128) 0.128 4.598 ( 0.000 0.000 -8.016) 8.016 4.656 ( 0.000 0.000 -7.919) 7.919 4.684 ( 0.000 0.000 -7.802) 7.802 4.738 ( 0.000 0.000 -5.809) 5.809 5.227 ( 0.000 0.000 5.391) 5.391 5.229 ( 0.000 0.000 5.363) 5.363 5.471 ( 0.000 0.000 15.400) 15.400 5.473 ( 0.000 0.000 15.502) 15.502 5.706 ( 0.000 0.000 -0.453) 0.453 5.720 ( 0.000 0.000 -0.037) 0.037 5.785 ( 0.000 0.000 0.247) 0.247 5.804 ( 0.000 0.000 1.419) 1.419 5.813 ( 0.000 0.000 0.977) 0.977 5.839 ( 0.000 0.000 1.470) 1.470 6.007 ( 0.000 0.000 -1.995) 1.995 6.126 ( 0.000 0.000 -3.130) 3.130 6.176 ( 0.000 0.000 -0.027) 0.027 6.194 ( 0.000 0.000 -0.750) 0.750 6.464 ( 0.000 0.000 8.339) 8.339 6.476 ( 0.000 0.000 0.373) 0.373 6.499 ( 0.000 0.000 0.683) 0.683 6.556 ( 0.000 0.000 -0.568) 0.568 6.619 ( 0.000 0.000 10.546) 10.546 6.653 ( 0.000 0.000 -2.836) 2.836 6.654 ( 0.000 0.000 0.220) 0.220 6.714 ( 0.000 0.000 -3.371) 3.371 6.781 ( 0.000 0.000 -3.451) 3.451 6.922 ( 0.000 0.000 9.288) 9.288 7.073 ( 0.000 0.000 3.890) 3.890 7.105 ( 0.000 0.000 2.925) 2.925 7.180 ( 0.000 0.000 -10.934) 10.934 7.193 ( 0.000 0.000 -9.653) 9.653 7.466 ( 0.000 0.000 5.911) 5.911 7.493 ( 0.000 0.000 3.646) 3.646 7.546 ( 0.000 0.000 -1.849) 1.849 7.732 ( 0.000 0.000 4.158) 4.158 7.761 ( 0.000 0.000 6.229) 6.229 8.274 ( 0.000 0.000 -7.772) 7.772 8.339 ( 0.000 0.000 -7.143) 7.143 8.380 ( 0.000 0.000 -5.860) 5.860 8.446 ( 0.000 0.000 -0.650) 0.650 8.480 ( 0.000 0.000 -2.783) 2.783 8.724 ( 0.000 0.000 -10.177) 10.177 8.743 ( 0.000 0.000 -40.568) 40.568 ======================= Grid point 55 (22/50) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -0.238 0.000 10.772) 10.775 0.884 ( 5.561 0.000 4.758) 7.318 0.891 ( 12.364 0.000 12.545) 17.614 0.966 ( 1.338 0.000 -1.336) 1.891 1.139 ( 5.495 0.000 6.823) 8.761 1.182 ( -3.754 0.000 0.287) 3.765 1.253 ( 7.458 0.000 5.545) 9.293 1.425 ( 7.616 0.000 12.826) 14.917 1.497 ( 0.764 0.000 5.486) 5.539 1.703 ( 5.166 0.000 8.788) 10.194 1.787 ( 4.036 0.000 4.347) 5.932 1.874 ( 7.631 0.000 7.352) 10.596 1.910 ( 2.953 0.000 1.789) 3.453 1.915 ( 4.527 0.000 10.028) 11.003 2.019 ( 3.101 0.000 2.997) 4.313 2.087 ( -2.586 0.000 1.626) 3.055 2.259 ( 3.254 0.000 -3.305) 4.638 2.390 ( -1.851 0.000 6.329) 6.595 2.426 ( -2.025 0.000 0.109) 2.028 2.439 ( -1.552 0.000 5.216) 5.442 2.460 ( -2.881 0.000 4.561) 5.394 2.472 ( 2.440 0.000 5.021) 5.583 2.534 ( -1.405 0.000 -3.964) 4.206 2.539 ( 2.826 0.000 2.582) 3.828 2.630 ( 8.333 0.000 9.981) 13.002 2.642 ( 1.629 0.000 -1.468) 2.193 2.703 ( 5.855 0.000 -5.210) 7.837 2.794 ( 3.004 0.000 4.328) 5.268 2.803 ( -2.645 0.000 3.591) 4.460 2.869 ( 4.252 0.000 6.815) 8.033 2.932 ( -1.343 0.000 1.172) 1.782 3.001 ( 7.097 0.000 6.064) 9.335 3.008 ( 0.159 0.000 2.467) 2.473 3.077 ( -1.527 0.000 5.658) 5.861 3.091 ( 1.454 0.000 -2.548) 2.934 3.157 ( -0.285 0.000 3.756) 3.767 3.236 ( -3.691 0.000 -0.798) 3.776 3.257 ( -3.324 0.000 -0.190) 3.329 3.351 ( -1.290 0.000 -1.970) 2.355 3.353 ( -4.552 0.000 1.738) 4.873 3.477 ( -0.933 0.000 -0.220) 0.959 3.566 ( 2.319 0.000 -2.833) 3.661 3.647 ( -2.657 0.000 -3.929) 4.743 3.674 ( -1.134 0.000 -3.308) 3.497 3.724 ( -3.386 0.000 -3.050) 4.558 3.747 ( -5.422 0.000 -1.617) 5.658 3.817 ( -5.812 0.000 -1.824) 6.092 3.843 ( -4.350 0.000 -1.756) 4.691 4.108 ( 1.696 0.000 1.957) 2.589 4.158 ( 4.551 0.000 2.067) 4.998 4.168 ( 6.174 0.000 4.301) 7.524 4.185 ( 4.154 0.000 3.594) 5.493 4.604 ( 0.159 0.000 -6.099) 6.101 4.638 ( -1.655 0.000 -5.914) 6.141 4.666 ( -1.445 0.000 -6.929) 7.078 4.717 ( -1.907 0.000 -5.104) 5.448 5.344 ( 10.790 0.000 5.474) 12.099 5.346 ( 10.895 0.000 5.489) 12.199 5.519 ( 3.803 0.000 16.820) 17.244 5.520 ( 4.210 0.000 16.761) 17.282 5.792 ( 3.866 0.000 0.062) 3.867 5.794 ( 0.618 0.000 0.467) 0.774 5.801 ( 6.583 0.000 0.052) 6.583 5.817 ( 2.663 0.000 0.741) 2.764 5.837 ( 2.005 0.000 1.436) 2.466 5.848 ( 2.238 0.000 0.665) 2.335 6.011 ( 0.339 0.000 -2.110) 2.137 6.075 ( -3.345 0.000 -2.103) 3.951 6.164 ( -1.406 0.000 -0.108) 1.410 6.170 ( -2.735 0.000 -0.160) 2.740 6.421 ( -1.375 0.000 3.639) 3.891 6.493 ( 0.429 0.000 0.807) 0.914 6.528 ( 1.906 0.000 1.439) 2.388 6.589 ( 3.474 0.000 -2.519) 4.291 6.643 ( 2.124 0.000 8.826) 9.078 6.655 ( 0.728 0.000 1.710) 1.859 6.691 ( 3.082 0.000 -0.718) 3.165 6.764 ( -1.491 0.000 -3.128) 3.465 6.798 ( 6.616 0.000 -1.465) 6.776 6.929 ( 0.417 0.000 8.028) 8.039 7.061 ( -0.869 0.000 4.097) 4.188 7.098 ( -0.287 0.000 2.201) 2.220 7.200 ( 1.154 0.000 -10.090) 10.156 7.209 ( 0.783 0.000 -8.734) 8.769 7.423 ( -3.437 0.000 5.425) 6.422 7.468 ( -2.443 0.000 6.076) 6.549 7.565 ( 2.263 0.000 -5.445) 5.896 7.694 ( -2.740 0.000 2.869) 3.968 7.725 ( -3.457 0.000 5.460) 6.463 8.235 ( -3.747 0.000 -8.071) 8.899 8.289 ( -4.838 0.000 -7.651) 9.052 8.367 ( -1.203 0.000 -5.746) 5.871 8.434 ( -1.137 0.000 -0.897) 1.448 8.446 ( -3.176 0.000 -2.579) 4.091 8.544 ( -17.355 0.000 -32.747) 37.061 8.673 ( -4.779 0.000 -9.393) 10.539 ======================= Grid point 56 (23/50) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 5.215 0.000 5.850) 7.837 0.986 ( 2.028 0.000 -2.437) 3.171 0.994 ( 2.398 0.000 -0.278) 2.414 1.109 ( -3.004 0.000 1.639) 3.422 1.140 ( 12.386 0.000 9.835) 15.815 1.299 ( 8.178 0.000 9.449) 12.497 1.455 ( 11.189 0.000 4.205) 11.953 1.569 ( 7.026 0.000 8.317) 10.888 1.618 ( 8.802 0.000 3.922) 9.636 1.849 ( 8.021 0.000 9.051) 12.093 1.882 ( 4.995 0.000 4.036) 6.422 1.978 ( 0.328 0.000 9.103) 9.108 2.010 ( 6.389 0.000 1.553) 6.575 2.039 ( 2.890 0.000 6.195) 6.836 2.074 ( 2.439 0.000 4.811) 5.394 2.130 ( 12.576 0.000 5.160) 13.594 2.320 ( 0.807 0.000 -0.637) 1.028 2.360 ( -4.065 0.000 -0.110) 4.066 2.386 ( 3.150 0.000 4.584) 5.562 2.437 ( 1.624 0.000 2.365) 2.869 2.444 ( 3.142 0.000 2.793) 4.204 2.538 ( -0.915 0.000 -2.763) 2.911 2.541 ( 3.283 0.000 3.856) 5.064 2.630 ( 2.592 0.000 1.515) 3.002 2.670 ( 4.230 0.000 4.213) 5.971 2.715 ( -0.559 0.000 -0.925) 1.081 2.793 ( 3.347 0.000 3.004) 4.498 2.828 ( 0.519 0.000 0.618) 0.807 2.876 ( 5.195 0.000 8.886) 10.293 2.901 ( 2.685 0.000 -0.936) 2.844 2.964 ( 1.834 0.000 7.577) 7.795 2.997 ( -0.725 0.000 3.759) 3.828 3.068 ( 1.414 0.000 -0.075) 1.416 3.095 ( -2.226 0.000 -2.085) 3.049 3.121 ( 0.830 0.000 0.740) 1.112 3.133 ( -0.999 0.000 1.628) 1.910 3.146 ( -1.543 0.000 -0.051) 1.544 3.229 ( 1.104 0.000 -0.576) 1.246 3.276 ( -1.579 0.000 -1.587) 2.239 3.348 ( -0.052 0.000 -2.673) 2.674 3.430 ( -3.283 0.000 -3.357) 4.695 3.560 ( -2.496 0.000 -1.805) 3.080 3.567 ( -4.511 0.000 -4.396) 6.299 3.619 ( -4.899 0.000 -5.752) 7.556 3.644 ( -2.387 0.000 -2.616) 3.541 3.660 ( -3.198 0.000 -3.760) 4.936 3.726 ( -4.027 0.000 -4.090) 5.739 3.761 ( -3.880 0.000 -3.588) 5.285 4.136 ( 3.029 0.000 3.734) 4.808 4.185 ( 2.287 0.000 2.460) 3.359 4.331 ( 7.861 0.000 6.886) 10.451 4.337 ( 6.524 0.000 5.689) 8.656 4.582 ( -2.870 0.000 -1.921) 3.454 4.587 ( -3.354 0.000 -0.764) 3.440 4.638 ( -1.157 0.000 -4.183) 4.340 4.664 ( -2.946 0.000 -3.409) 4.505 5.610 ( 6.149 0.000 15.341) 16.528 5.615 ( 8.012 0.000 14.918) 16.934 5.642 ( 15.771 0.000 6.117) 16.916 5.659 ( 15.597 0.000 8.067) 17.560 5.803 ( 0.554 0.000 0.928) 1.081 5.814 ( 0.790 0.000 1.647) 1.826 5.870 ( 1.811 0.000 1.241) 2.195 5.873 ( 1.718 0.000 1.998) 2.635 5.920 ( 3.717 0.000 6.504) 7.491 5.945 ( 2.657 0.000 2.192) 3.445 6.007 ( -0.040 0.000 -1.799) 1.799 6.030 ( -0.900 0.000 0.561) 1.061 6.092 ( -3.768 0.000 1.194) 3.953 6.138 ( -0.962 0.000 0.369) 1.031 6.420 ( 1.309 0.000 0.216) 1.327 6.529 ( 2.844 0.000 1.672) 3.299 6.541 ( -0.160 0.000 0.649) 0.669 6.650 ( -0.025 0.000 -1.348) 1.349 6.682 ( 4.448 0.000 -1.563) 4.715 6.723 ( -2.371 0.000 -2.407) 3.379 6.749 ( 6.615 0.000 6.526) 9.292 6.763 ( 3.649 0.000 1.334) 3.886 6.906 ( 1.460 0.000 5.301) 5.499 6.956 ( 3.678 0.000 0.420) 3.702 7.055 ( 0.132 0.000 2.576) 2.579 7.114 ( 2.206 0.000 0.832) 2.358 7.145 ( -7.973 0.000 -0.324) 7.980 7.150 ( -7.490 0.000 -1.941) 7.737 7.407 ( 3.473 0.000 -2.443) 4.246 7.460 ( 3.000 0.000 -1.447) 3.331 7.581 ( -5.184 0.000 1.337) 5.353 7.657 ( -0.385 0.000 -1.272) 1.329 7.668 ( 2.149 0.000 -5.107) 5.541 8.104 ( -15.733 0.000 -16.884) 23.078 8.130 ( -7.961 0.000 -9.660) 12.517 8.175 ( -11.682 0.000 -9.816) 15.259 8.334 ( -2.567 0.000 -4.124) 4.858 8.364 ( -3.642 0.000 -2.773) 4.578 8.404 ( -1.608 0.000 -1.715) 2.351 8.543 ( -7.481 0.000 -7.403) 10.525 ======================= Grid point 57 (24/50) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 7.572 0.000 1.888) 7.804 1.012 ( 0.723 0.000 -2.144) 2.263 1.020 ( 0.559 0.000 -1.166) 1.293 1.066 ( -1.516 0.000 0.046) 1.516 1.387 ( 10.979 0.000 8.775) 14.055 1.467 ( 8.087 0.000 6.914) 10.640 1.656 ( 4.652 0.000 4.532) 6.495 1.707 ( 1.077 0.000 3.466) 3.629 1.765 ( 10.978 0.000 8.301) 13.763 1.926 ( -0.036 0.000 4.930) 4.930 1.952 ( 2.969 0.000 5.526) 6.273 1.982 ( 1.797 0.000 6.366) 6.614 2.141 ( 4.256 0.000 4.789) 6.407 2.189 ( 5.686 0.000 6.033) 8.290 2.189 ( 9.899 0.000 5.610) 11.378 2.261 ( -4.716 0.000 -0.799) 4.783 2.278 ( -3.350 0.000 3.363) 4.746 2.323 ( 4.604 0.000 5.114) 6.881 2.444 ( -4.847 0.000 2.284) 5.358 2.518 ( 7.252 0.000 -0.623) 7.279 2.529 ( 6.094 0.000 0.539) 6.118 2.556 ( 6.742 0.000 5.632) 8.785 2.599 ( 2.810 0.000 3.069) 4.161 2.652 ( 1.389 0.000 6.621) 6.765 2.702 ( -8.762 0.000 5.643) 10.422 2.790 ( 4.111 0.000 -4.911) 6.404 2.801 ( 2.465 0.000 1.742) 3.018 2.827 ( 4.028 0.000 1.437) 4.276 2.932 ( -0.112 0.000 -2.204) 2.207 2.942 ( -1.828 0.000 2.268) 2.913 2.968 ( -2.169 0.000 -0.041) 2.170 2.984 ( -1.603 0.000 2.775) 3.205 3.028 ( 1.969 0.000 2.133) 2.903 3.111 ( -1.407 0.000 -2.269) 2.669 3.119 ( 2.418 0.000 -2.589) 3.542 3.137 ( -0.311 0.000 -3.585) 3.599 3.138 ( 2.003 0.000 -3.753) 4.254 3.259 ( -0.552 0.000 -3.145) 3.193 3.278 ( -1.453 0.000 0.820) 1.668 3.341 ( -0.444 0.000 -0.015) 0.444 3.394 ( 2.232 0.000 -6.344) 6.725 3.476 ( -2.870 0.000 -3.614) 4.614 3.525 ( -0.239 0.000 -1.924) 1.939 3.547 ( -1.546 0.000 -7.538) 7.695 3.591 ( -3.572 0.000 -1.823) 4.011 3.597 ( -2.256 0.000 -4.334) 4.886 3.630 ( -5.311 0.000 -4.854) 7.195 3.678 ( -4.319 0.000 -3.791) 5.746 4.239 ( 6.556 0.000 6.057) 8.926 4.256 ( 4.392 0.000 3.444) 5.582 4.448 ( 4.545 0.000 4.692) 6.532 4.470 ( 5.097 0.000 6.800) 8.498 4.483 ( -6.091 0.000 1.721) 6.330 4.503 ( -4.364 0.000 3.882) 5.841 4.603 ( -3.106 0.000 -0.649) 3.173 4.612 ( -1.599 0.000 0.730) 1.758 5.720 ( 5.100 0.000 13.546) 14.474 5.748 ( 6.195 0.000 17.383) 18.454 5.818 ( 0.906 0.000 1.709) 1.934 5.839 ( 1.602 0.000 1.981) 2.548 5.887 ( 0.510 0.000 2.593) 2.642 5.895 ( -0.315 0.000 2.309) 2.330 5.934 ( 1.042 0.000 1.029) 1.464 5.936 ( -1.579 0.000 13.539) 13.630 5.939 ( 3.238 0.000 1.011) 3.392 5.990 ( -2.652 0.000 5.140) 5.784 6.044 ( 2.612 0.000 0.612) 2.683 6.051 ( 19.910 0.000 4.700) 20.458 6.108 ( 2.427 0.000 1.497) 2.851 6.145 ( 9.179 0.000 5.198) 10.548 6.465 ( 2.537 0.000 -0.941) 2.706 6.536 ( -0.340 0.000 0.522) 0.622 6.597 ( 3.433 0.000 3.565) 4.949 6.641 ( -2.425 0.000 -1.841) 3.045 6.666 ( -1.730 0.000 -1.470) 2.270 6.719 ( -1.243 0.000 4.397) 4.570 6.829 ( -0.269 0.000 0.201) 0.335 6.876 ( -3.850 0.000 1.342) 4.077 6.890 ( -10.755 0.000 3.224) 11.228 6.948 ( 2.196 0.000 2.852) 3.599 6.962 ( 0.169 0.000 3.731) 3.735 6.985 ( -0.458 0.000 0.925) 1.033 7.059 ( -0.376 0.000 2.826) 2.851 7.242 ( 8.455 0.000 -2.484) 8.812 7.387 ( -10.672 0.000 2.049) 10.867 7.522 ( 5.612 0.000 -5.985) 8.205 7.586 ( 6.739 0.000 -7.105) 9.793 7.686 ( 2.458 0.000 -6.361) 6.820 7.736 ( 2.198 0.000 -9.988) 10.227 7.765 ( -11.529 0.000 -11.102) 16.005 7.968 ( -10.116 0.000 -7.726) 12.729 7.973 ( -8.105 0.000 -9.163) 12.233 8.254 ( -3.081 0.000 -0.672) 3.153 8.336 ( -0.226 0.000 -4.101) 4.107 8.370 ( -1.955 0.000 -2.856) 3.461 8.385 ( -6.915 0.000 -4.523) 8.263 ======================= Grid point 58 (25/50) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -3.696 0.000 0.313) 3.709 0.989 ( 3.696 0.000 0.313) 3.709 1.036 ( -0.885 0.000 -1.790) 1.997 1.036 ( 0.885 0.000 -1.790) 1.997 1.565 ( -4.371 0.000 7.264) 8.478 1.565 ( 4.371 0.000 7.264) 8.478 1.656 ( -4.229 0.000 4.682) 6.309 1.656 ( 4.229 0.000 4.682) 6.309 1.960 ( -4.378 0.000 5.303) 6.877 1.960 ( 4.378 0.000 5.303) 6.877 2.032 ( -7.586 0.000 7.391) 10.592 2.032 ( 7.586 0.000 7.391) 10.592 2.072 ( -10.408 0.000 3.106) 10.862 2.072 ( 10.408 0.000 3.106) 10.862 2.308 ( -4.001 0.000 1.137) 4.159 2.308 ( 4.001 0.000 1.137) 4.159 2.334 ( -3.002 0.000 6.815) 7.447 2.334 ( 3.002 0.000 6.815) 7.447 2.471 ( -11.140 0.000 5.785) 12.553 2.471 ( 11.140 0.000 5.785) 12.553 2.626 ( -2.068 0.000 4.069) 4.565 2.626 ( 2.068 0.000 4.069) 4.565 2.640 ( -3.245 0.000 2.550) 4.127 2.640 ( 3.245 0.000 2.550) 4.127 2.703 ( -8.699 0.000 -1.411) 8.813 2.703 ( 8.699 0.000 -1.411) 8.813 2.861 ( -5.202 0.000 0.826) 5.267 2.861 ( 5.202 0.000 0.826) 5.267 2.945 ( -3.628 0.000 0.877) 3.732 2.945 ( 3.628 0.000 0.877) 3.732 2.999 ( -4.195 0.000 -3.540) 5.489 2.999 ( 4.195 0.000 -3.540) 5.489 3.011 ( -1.876 0.000 -2.072) 2.795 3.011 ( 1.876 0.000 -2.072) 2.795 3.165 ( -2.105 0.000 -3.253) 3.874 3.165 ( 2.105 0.000 -3.253) 3.874 3.207 ( -4.367 0.000 -1.911) 4.766 3.207 ( 4.367 0.000 -1.911) 4.766 3.267 ( -4.644 0.000 -4.404) 6.400 3.267 ( 4.644 0.000 -4.404) 6.400 3.496 ( -5.725 0.000 -4.116) 7.051 3.496 ( 5.725 0.000 -4.116) 7.051 3.498 ( -3.297 0.000 0.696) 3.370 3.498 ( 3.297 0.000 0.696) 3.370 3.561 ( -1.036 0.000 -6.961) 7.038 3.561 ( 1.036 0.000 -6.961) 7.038 3.586 ( -3.982 0.000 -3.178) 5.094 3.586 ( 3.982 0.000 -3.178) 5.094 4.359 ( -5.609 0.000 3.340) 6.528 4.359 ( 5.609 0.000 3.340) 6.528 4.381 ( -6.650 0.000 6.207) 9.097 4.381 ( 6.650 0.000 6.207) 9.097 4.532 ( -3.785 0.000 2.453) 4.510 4.532 ( 3.785 0.000 2.453) 4.510 4.564 ( -3.253 0.000 4.894) 5.877 4.564 ( 3.253 0.000 4.894) 5.877 5.808 ( -2.879 0.000 7.056) 7.621 5.808 ( 2.879 0.000 7.056) 7.621 5.865 ( -4.895 0.000 16.520) 17.230 5.865 ( 4.895 0.000 16.520) 17.230 5.867 ( -1.348 0.000 1.422) 1.959 5.867 ( 1.348 0.000 1.422) 1.959 5.909 ( -1.982 0.000 4.875) 5.262 5.909 ( 1.982 0.000 4.875) 5.262 5.957 ( -0.471 0.000 1.745) 1.808 5.957 ( 0.471 0.000 1.745) 1.808 6.090 ( -1.669 0.000 1.407) 2.183 6.090 ( 1.669 0.000 1.407) 2.183 6.434 ( -14.639 0.000 2.051) 14.782 6.434 ( 14.639 0.000 2.051) 14.782 6.500 ( -18.451 0.000 4.697) 19.039 6.500 ( 18.451 0.000 4.697) 19.039 6.524 ( -0.146 0.000 -0.138) 0.200 6.524 ( 0.146 0.000 -0.138) 0.200 6.675 ( -3.075 0.000 5.199) 6.041 6.675 ( 3.075 0.000 5.199) 6.041 6.698 ( -4.696 0.000 0.247) 4.702 6.698 ( 4.696 0.000 0.247) 4.702 6.923 ( -3.224 0.000 1.013) 3.380 6.923 ( 3.224 0.000 1.013) 3.380 7.028 ( -2.621 0.000 2.357) 3.525 7.028 ( 2.621 0.000 2.357) 3.525 7.153 ( -11.399 0.000 1.367) 11.481 7.153 ( 11.399 0.000 1.367) 11.481 7.436 ( -10.066 0.000 -5.154) 11.309 7.436 ( 10.066 0.000 -5.154) 11.309 7.713 ( -4.476 0.000 -9.991) 10.948 7.713 ( 4.476 0.000 -9.991) 10.948 7.763 ( -9.135 0.000 -8.533) 12.501 7.763 ( 9.135 0.000 -8.533) 12.501 7.812 ( -7.060 0.000 -8.295) 10.893 7.812 ( 7.060 0.000 -8.295) 10.893 8.259 ( -3.756 0.000 -1.644) 4.100 8.259 ( 3.756 0.000 -1.644) 4.100 8.346 ( -0.921 0.000 -3.418) 3.540 8.346 ( 0.921 0.000 -3.418) 3.540 ======================= Grid point 63 (26/50) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.000 3.817 12.491) 13.061 0.763 ( 0.000 6.143 13.652) 14.970 0.903 ( 0.000 6.420 8.686) 10.801 0.904 ( 0.000 -2.254 2.104) 3.084 1.028 ( 0.000 -7.785 2.453) 8.163 1.075 ( 0.000 -7.384 2.916) 7.939 1.264 ( 0.000 1.997 2.443) 3.155 1.298 ( 0.000 -2.527 10.254) 10.561 1.599 ( 0.000 9.366 7.715) 12.134 1.705 ( 0.000 4.470 5.065) 6.755 1.740 ( 0.000 -4.532 4.200) 6.179 1.751 ( 0.000 -1.118 4.676) 4.808 1.847 ( 0.000 -0.003 6.854) 6.854 1.893 ( 0.000 -5.790 4.369) 7.254 1.980 ( 0.000 8.538 10.482) 13.519 2.161 ( 0.000 -6.761 8.100) 10.551 2.227 ( 0.000 -1.312 7.402) 7.518 2.260 ( 0.000 4.097 -3.463) 5.364 2.334 ( 0.000 -6.075 6.148) 8.643 2.376 ( 0.000 -6.820 -0.659) 6.851 2.502 ( 0.000 0.786 -0.322) 0.849 2.509 ( 0.000 0.519 3.275) 3.316 2.550 ( 0.000 1.076 0.586) 1.225 2.565 ( 0.000 -1.369 -0.186) 1.382 2.623 ( 0.000 2.041 -2.132) 2.951 2.643 ( 0.000 1.890 5.249) 5.579 2.735 ( 0.000 8.039 -1.154) 8.122 2.809 ( 0.000 8.124 6.704) 10.533 2.826 ( 0.000 -0.125 3.035) 3.037 2.835 ( 0.000 -0.553 4.624) 4.657 2.881 ( 0.000 -6.542 1.975) 6.833 2.890 ( 0.000 -2.914 0.691) 2.995 3.011 ( 0.000 4.571 3.751) 5.913 3.069 ( 0.000 -2.701 8.634) 9.046 3.137 ( 0.000 0.235 1.891) 1.906 3.167 ( 0.000 2.672 -2.646) 3.760 3.227 ( 0.000 -2.396 0.931) 2.570 3.271 ( 0.000 -2.905 -1.604) 3.318 3.406 ( 0.000 -0.321 3.035) 3.052 3.407 ( 0.000 -0.293 3.395) 3.408 3.501 ( 0.000 2.067 0.531) 2.134 3.517 ( 0.000 0.709 -2.396) 2.499 3.668 ( 0.000 -0.316 -5.052) 5.062 3.674 ( 0.000 -0.911 -4.387) 4.481 3.757 ( 0.000 0.502 -2.257) 2.312 3.784 ( 0.000 -2.674 0.437) 2.710 3.961 ( 0.000 -0.028 1.069) 1.069 3.963 ( 0.000 -0.410 1.239) 1.305 3.986 ( 0.000 1.423 2.666) 3.022 3.994 ( 0.000 0.440 3.164) 3.194 4.151 ( 0.000 0.313 0.046) 0.316 4.166 ( 0.000 -1.557 0.550) 1.652 4.614 ( 0.000 1.578 -7.882) 8.038 4.643 ( 0.000 -1.474 -7.743) 7.882 4.697 ( 0.000 1.432 -7.404) 7.541 4.724 ( 0.000 -1.433 -6.321) 6.481 5.228 ( 0.000 0.036 5.385) 5.385 5.228 ( 0.000 -0.040 5.370) 5.370 5.471 ( 0.000 0.026 15.410) 15.410 5.472 ( 0.000 -0.063 15.466) 15.466 5.709 ( 0.000 0.339 -0.351) 0.488 5.716 ( 0.000 -0.390 -0.141) 0.414 5.789 ( 0.000 0.375 0.591) 0.700 5.798 ( 0.000 -0.637 1.374) 1.514 5.819 ( 0.000 0.709 0.795) 1.066 5.832 ( 0.000 -0.659 1.221) 1.387 6.025 ( 0.000 2.390 -2.439) 3.415 6.087 ( 0.000 -4.037 -3.035) 5.051 6.172 ( 0.000 -0.207 -0.066) 0.217 6.176 ( 0.000 -0.797 -0.049) 0.799 6.479 ( 0.000 0.204 0.803) 0.829 6.479 ( 0.000 0.419 2.542) 2.576 6.517 ( 0.000 1.892 1.892) 2.675 6.544 ( 0.000 -1.206 -0.108) 1.211 6.643 ( 0.000 1.531 6.655) 6.829 6.652 ( 0.000 -0.142 -2.333) 2.337 6.667 ( 0.000 2.644 2.507) 3.643 6.740 ( 0.000 -4.218 5.937) 7.283 6.768 ( 0.000 5.618 1.950) 5.947 6.872 ( 0.000 -5.402 6.823) 8.703 7.090 ( 0.000 1.016 2.111) 2.343 7.101 ( 0.000 -0.432 2.165) 2.208 7.188 ( 0.000 0.731 -10.071) 10.097 7.195 ( 0.000 0.056 -10.158) 10.158 7.458 ( 0.000 -0.539 5.868) 5.893 7.465 ( 0.000 -1.854 7.097) 7.335 7.611 ( 0.000 7.862 -1.953) 8.101 7.729 ( 0.000 -4.367 3.918) 5.867 7.970 ( 0.000 21.067 -8.197) 22.605 8.249 ( 0.000 -1.758 -7.325) 7.533 8.259 ( 0.000 -3.675 -7.576) 8.420 8.303 ( 0.000 -14.751 -10.186) 17.926 8.460 ( 0.000 3.136 -4.985) 5.889 8.486 ( 0.000 0.023 -3.727) 3.727 8.730 ( 0.000 0.532 -13.996) 14.006 8.739 ( 0.000 -0.459 -27.290) 27.294 ======================= Grid point 64 (27/50) ======================= q-point: ( 0.12 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -0.091 6.435 9.781) 11.708 0.830 ( 6.314 -2.511 10.003) 12.092 0.946 ( 2.804 0.069 0.491) 2.847 1.019 ( 4.425 4.558 4.699) 7.902 1.032 ( 7.667 -3.267 7.164) 10.990 1.176 ( 6.322 -7.452 6.585) 11.784 1.249 ( 0.830 3.652 2.225) 4.356 1.324 ( 3.083 -5.580 7.285) 9.680 1.638 ( 3.491 9.634 6.388) 12.075 1.752 ( 4.499 0.435 4.760) 6.564 1.777 ( 3.504 1.019 6.458) 7.418 1.851 ( 8.209 -4.175 5.381) 10.666 1.892 ( 4.624 1.509 5.004) 6.979 1.940 ( 3.760 -3.803 3.778) 6.548 2.011 ( 3.145 8.554 11.002) 14.287 2.155 ( -1.212 -0.013 5.533) 5.664 2.253 ( 2.401 -2.989 5.137) 6.410 2.296 ( -0.841 -3.791 4.899) 6.251 2.323 ( 5.767 -3.952 2.077) 7.293 2.374 ( 0.137 -4.882 -0.819) 4.952 2.492 ( -1.411 1.304 4.055) 4.487 2.505 ( -2.143 0.254 3.884) 4.443 2.533 ( -0.295 1.917 -0.907) 2.141 2.555 ( -1.165 0.634 -1.403) 1.930 2.613 ( 1.837 1.140 -2.575) 3.362 2.673 ( 3.632 -2.825 3.074) 5.534 2.777 ( 2.744 6.473 0.376) 7.040 2.804 ( -0.355 2.354 1.315) 2.720 2.822 ( -0.248 -0.149 3.457) 3.469 2.877 ( 4.024 -0.737 4.731) 6.254 2.945 ( 4.239 -0.699 3.072) 5.281 2.968 ( 3.491 -0.302 3.231) 4.766 3.013 ( 2.101 2.553 4.790) 5.820 3.053 ( -0.724 -1.875 7.063) 7.343 3.127 ( -0.893 1.136 0.922) 1.714 3.170 ( -0.076 -0.806 -2.238) 2.380 3.207 ( -1.802 0.446 0.482) 1.918 3.247 ( -2.235 -1.718 -0.426) 2.851 3.351 ( -3.332 0.214 1.329) 3.594 3.356 ( -3.207 -0.097 0.540) 3.254 3.501 ( -0.821 2.401 -0.467) 2.580 3.545 ( 0.585 -2.280 -1.846) 2.992 3.646 ( -2.093 0.736 -3.703) 4.317 3.672 ( -0.761 -1.330 -3.601) 3.914 3.715 ( -4.544 -0.151 -2.199) 5.051 3.727 ( -3.742 -1.340 -2.516) 4.704 3.826 ( -5.426 0.832 -1.736) 5.757 3.839 ( -4.810 -0.566 -1.596) 5.099 4.121 ( 1.067 1.279 1.474) 2.224 4.147 ( 1.541 -1.434 1.247) 2.447 4.170 ( 7.139 0.625 4.909) 8.687 4.182 ( 7.080 -0.410 4.628) 8.469 4.613 ( -0.319 0.887 -6.059) 6.132 4.630 ( -1.224 -0.897 -5.967) 6.157 4.679 ( -1.573 1.348 -6.406) 6.733 4.704 ( -1.804 -1.328 -5.502) 5.941 5.345 ( 10.821 0.059 5.476) 12.128 5.346 ( 10.875 -0.050 5.482) 12.179 5.519 ( 3.949 0.005 16.776) 17.235 5.520 ( 4.076 -0.038 16.777) 17.266 5.789 ( 2.815 -0.145 0.470) 2.857 5.790 ( 3.344 -0.167 0.438) 3.377 5.810 ( 4.707 0.617 0.025) 4.748 5.818 ( 3.415 -0.143 0.755) 3.500 5.836 ( 1.820 0.084 0.934) 2.048 5.843 ( 1.861 -0.542 0.756) 2.080 6.021 ( -0.379 1.362 -2.154) 2.576 6.056 ( -2.278 -2.103 -2.062) 3.724 6.153 ( -1.806 -0.607 -0.595) 1.996 6.157 ( -2.007 -0.817 -0.378) 2.199 6.443 ( -1.330 1.796 2.839) 3.613 6.472 ( -0.386 -1.638 1.697) 2.390 6.549 ( 2.087 1.534 0.126) 2.593 6.573 ( 2.603 -1.311 -1.500) 3.278 6.670 ( 2.302 1.591 5.972) 6.595 6.681 ( 1.685 2.155 1.471) 3.106 6.690 ( 2.540 0.886 1.952) 3.323 6.744 ( 0.444 -2.548 3.076) 4.019 6.827 ( 5.064 3.150 1.057) 6.057 6.893 ( 1.941 -3.719 5.860) 7.207 7.080 ( -0.949 1.377 2.360) 2.892 7.094 ( -0.408 -0.433 1.875) 1.967 7.205 ( 0.890 0.454 -9.568) 9.620 7.209 ( 0.701 -0.011 -9.218) 9.244 7.417 ( -3.241 -0.255 5.488) 6.379 7.432 ( -2.543 -2.173 6.402) 7.223 7.622 ( 1.004 6.091 -2.629) 6.709 7.708 ( -2.027 -2.736 3.174) 4.655 7.893 ( -6.370 18.597 -6.567) 20.725 8.204 ( -4.855 -4.319 -8.598) 10.777 8.215 ( -5.221 -6.294 -9.484) 12.522 8.233 ( -5.725 -12.521 -10.494) 17.311 8.431 ( -2.626 2.962 -4.886) 6.288 8.454 ( -2.962 0.187 -3.601) 4.666 8.621 ( -8.929 4.019 -17.001) 19.619 8.664 ( -5.698 -1.241 -11.075) 12.516 ======================= Grid point 65 (28/50) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 4.524 7.306 4.474) 9.689 0.927 ( 3.020 -6.939 1.142) 7.653 1.013 ( 2.438 2.816 -0.410) 3.747 1.070 ( 0.083 -3.333 1.103) 3.512 1.203 ( 9.093 5.657 9.204) 14.121 1.287 ( 6.706 -2.445 9.667) 12.017 1.418 ( 12.536 -1.512 4.703) 13.474 1.463 ( 10.300 -5.802 6.372) 13.430 1.731 ( 4.509 6.856 4.146) 9.194 1.832 ( 3.034 -4.729 3.941) 6.863 1.906 ( 7.660 5.378 7.912) 12.255 1.979 ( 4.072 -1.307 6.571) 7.840 2.008 ( 3.484 0.806 2.465) 4.343 2.048 ( 6.917 -2.840 5.185) 9.099 2.109 ( 4.699 4.240 6.613) 9.154 2.150 ( 4.205 2.317 6.682) 8.228 2.292 ( 1.188 -1.483 3.475) 3.961 2.321 ( 2.131 -1.985 -0.699) 2.995 2.415 ( 4.658 2.232 0.503) 5.190 2.450 ( 0.543 0.441 2.693) 2.783 2.476 ( 0.745 1.372 3.126) 3.494 2.483 ( 0.807 -1.931 1.060) 2.346 2.548 ( 3.125 -5.442 4.544) 7.748 2.556 ( 4.757 -4.229 -0.349) 6.374 2.672 ( 2.106 6.267 2.894) 7.217 2.752 ( -0.967 1.378 1.017) 1.967 2.779 ( 4.500 -2.841 0.572) 5.353 2.831 ( 1.513 -3.791 4.965) 6.428 2.852 ( 1.525 3.636 2.816) 4.845 2.915 ( -0.584 -1.662 2.721) 3.242 2.988 ( 0.603 1.663 0.430) 1.820 3.010 ( 2.031 0.757 4.474) 4.971 3.064 ( 1.712 1.561 2.394) 3.332 3.090 ( 0.081 -0.786 0.471) 0.920 3.110 ( 0.394 -0.523 0.444) 0.791 3.121 ( -3.779 -1.052 0.242) 3.931 3.198 ( 1.271 3.530 -0.412) 3.774 3.228 ( 1.410 -0.406 -0.488) 1.546 3.280 ( -2.296 0.917 -1.822) 3.071 3.317 ( -1.781 -2.722 -2.760) 4.266 3.463 ( -2.312 3.068 -2.356) 4.506 3.523 ( -2.083 -3.523 -1.889) 4.508 3.572 ( -4.595 0.878 -3.857) 6.063 3.597 ( -4.991 -1.838 -4.620) 7.045 3.653 ( -2.059 0.946 -3.868) 4.483 3.665 ( -2.503 -0.161 -4.148) 4.847 3.732 ( -4.256 0.899 -3.850) 5.809 3.752 ( -4.103 -1.015 -3.544) 5.516 4.147 ( 2.903 1.177 3.439) 4.652 4.171 ( 2.565 -1.366 2.835) 4.060 4.334 ( 7.303 0.538 6.445) 9.755 4.341 ( 7.004 -0.019 6.092) 9.282 4.583 ( -3.120 0.130 -1.735) 3.572 4.586 ( -3.301 -0.117 -1.147) 3.497 4.644 ( -1.515 0.650 -3.871) 4.208 4.657 ( -2.438 -0.716 -3.496) 4.322 5.611 ( 6.609 0.124 15.122) 16.504 5.613 ( 7.603 -0.177 14.806) 16.645 5.646 ( 15.627 0.450 6.771) 17.036 5.655 ( 15.554 -0.465 7.677) 17.352 5.805 ( 0.636 0.235 1.191) 1.371 5.811 ( 0.757 -0.319 1.557) 1.760 5.871 ( 1.780 0.078 1.658) 2.434 5.873 ( 1.770 -0.077 1.925) 2.616 5.923 ( 3.370 0.480 4.509) 5.649 5.937 ( 3.418 -0.933 2.784) 4.506 6.006 ( -0.959 0.304 -0.413) 1.087 6.019 ( -1.102 -0.979 0.881) 1.717 6.098 ( -2.800 0.778 0.480) 2.946 6.120 ( -1.296 -1.602 0.086) 2.063 6.444 ( 1.443 2.288 0.606) 2.772 6.487 ( 1.693 -2.645 1.094) 3.325 6.580 ( 0.810 2.348 0.580) 2.550 6.619 ( 0.956 -2.176 -0.329) 2.399 6.718 ( 2.764 2.459 -1.919) 4.167 6.745 ( 2.189 -0.353 -1.588) 2.727 6.761 ( 4.224 1.609 3.997) 6.034 6.767 ( 4.025 0.750 4.196) 5.863 6.920 ( 2.140 1.521 3.842) 4.653 6.947 ( 3.306 -1.176 1.044) 3.661 7.065 ( -0.168 1.396 2.363) 2.750 7.097 ( 1.187 -1.774 1.603) 2.669 7.142 ( -8.515 -0.061 -0.787) 8.552 7.146 ( -7.978 -0.441 -1.552) 8.140 7.408 ( 3.757 0.538 -2.250) 4.412 7.433 ( 3.899 -2.138 -1.407) 4.663 7.623 ( -3.195 4.053 -0.306) 5.170 7.670 ( 0.470 -0.641 -3.373) 3.465 7.762 ( -5.365 10.677 -5.848) 13.303 7.978 ( -13.651 -12.549 -13.887) 23.166 8.093 ( -7.001 -1.964 -7.950) 10.773 8.113 ( -7.056 -3.944 -7.894) 11.298 8.366 ( -3.592 2.048 -4.004) 5.756 8.378 ( -3.721 0.648 -3.575) 5.201 8.467 ( -5.549 4.654 -5.554) 9.127 8.526 ( -7.161 -2.070 -7.108) 10.300 ======================= Grid point 66 (29/50) ======================= q-point: ( 0.38 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 5.861 4.311 1.026) 7.348 0.984 ( 2.602 -3.738 -0.795) 4.623 1.028 ( -0.266 1.428 -1.216) 1.895 1.054 ( -1.091 -1.280 -0.457) 1.743 1.411 ( 10.041 2.404 8.445) 13.339 1.451 ( 8.599 -1.790 7.656) 11.652 1.646 ( 5.960 -0.440 5.010) 7.799 1.666 ( 5.331 -2.741 5.063) 7.847 1.804 ( 5.594 3.270 6.319) 9.051 1.868 ( 2.580 -4.080 5.410) 7.251 2.002 ( 1.687 4.029 5.463) 6.995 2.042 ( 2.734 4.700 6.284) 8.309 2.094 ( 2.777 -3.053 3.850) 5.644 2.159 ( 3.645 -4.407 4.755) 7.438 2.222 ( 5.468 3.007 6.551) 9.047 2.262 ( -4.844 -0.529 2.832) 5.636 2.292 ( 0.363 0.820 0.914) 1.281 2.309 ( 5.134 -1.677 4.087) 6.773 2.453 ( 1.351 3.474 1.110) 3.889 2.486 ( 3.893 0.772 1.372) 4.200 2.532 ( 3.421 -3.444 3.211) 5.820 2.541 ( 2.970 -4.004 2.971) 5.804 2.635 ( 5.494 2.530 2.230) 6.447 2.667 ( -0.366 5.828 3.510) 6.814 2.695 ( 0.005 -3.286 3.300) 4.657 2.756 ( 0.127 -3.218 -0.207) 3.227 2.804 ( 2.113 2.183 3.560) 4.680 2.849 ( 0.256 0.400 2.844) 2.883 2.905 ( 0.111 -1.352 1.210) 1.817 2.934 ( 2.516 -2.044 0.952) 3.378 2.961 ( -1.185 2.415 -1.771) 3.221 3.008 ( 0.316 -1.595 1.659) 2.323 3.062 ( 0.586 2.956 -0.499) 3.054 3.103 ( 0.908 1.501 -1.572) 2.356 3.110 ( 1.430 -1.257 -2.161) 2.880 3.131 ( 0.772 -1.099 -3.124) 3.401 3.173 ( -2.036 2.939 -4.758) 5.951 3.235 ( -3.964 -3.496 -3.530) 6.356 3.273 ( 0.486 1.147 0.394) 1.307 3.307 ( 0.534 -2.461 -0.372) 2.546 3.440 ( 0.903 3.431 -3.622) 5.070 3.485 ( -1.997 0.040 -4.381) 4.815 3.501 ( -0.079 -1.329 -1.988) 2.393 3.523 ( -1.710 -1.923 -5.809) 6.353 3.604 ( -2.537 0.705 -4.369) 5.101 3.607 ( -3.172 0.540 -3.250) 4.573 3.639 ( -4.821 1.195 -4.847) 6.940 3.665 ( -4.416 -1.387 -4.017) 6.129 4.241 ( 5.806 0.268 5.154) 7.768 4.249 ( 4.777 -0.642 3.902) 6.201 4.457 ( 4.790 0.864 5.605) 7.423 4.468 ( 4.152 -0.316 6.361) 7.603 4.486 ( -4.996 0.225 1.965) 5.373 4.494 ( -5.057 -0.757 2.810) 5.834 4.609 ( -2.527 0.414 0.077) 2.562 4.613 ( -1.830 -0.027 0.674) 1.950 5.725 ( 5.217 0.592 14.089) 15.036 5.739 ( 5.714 -0.901 15.870) 16.891 5.823 ( 1.003 0.541 2.247) 2.520 5.834 ( 1.360 -0.601 2.340) 2.772 5.888 ( 0.232 0.105 2.832) 2.844 5.892 ( -0.311 -0.302 2.886) 2.918 5.928 ( 1.524 0.751 6.622) 6.837 5.939 ( -0.507 0.204 3.103) 3.150 5.971 ( 1.045 0.155 1.984) 2.248 5.978 ( 5.156 -0.121 4.905) 7.117 6.010 ( 1.946 -0.673 2.583) 3.303 6.042 ( 6.704 -2.115 5.545) 8.953 6.117 ( 8.193 0.863 2.981) 8.761 6.133 ( 10.649 -1.006 4.813) 11.729 6.489 ( 2.478 2.274 -0.249) 3.373 6.527 ( 1.852 -1.702 0.846) 2.654 6.582 ( -0.677 0.778 1.377) 1.720 6.613 ( -1.101 -2.278 0.911) 2.689 6.743 ( -1.269 5.862 -0.435) 6.014 6.787 ( 0.133 5.038 0.609) 5.077 6.814 ( -1.321 -1.683 0.373) 2.172 6.857 ( -3.454 -2.095 1.147) 4.199 6.910 ( -9.464 1.860 2.449) 9.951 6.941 ( -3.481 -1.025 2.950) 4.676 6.968 ( 3.025 0.333 2.599) 4.002 6.976 ( 0.889 -0.698 1.668) 2.015 7.069 ( -0.228 1.785 2.865) 3.384 7.143 ( 1.595 -6.657 1.376) 6.982 7.516 ( 0.608 7.311 -4.203) 8.455 7.538 ( 3.620 4.152 -4.450) 7.082 7.571 ( 6.451 -1.111 -5.512) 8.558 7.690 ( -1.815 1.028 -7.869) 8.140 7.693 ( 0.761 -6.091 -7.721) 9.864 7.731 ( -8.461 -3.167 -10.064) 13.524 7.930 ( -8.663 -1.855 -8.064) 11.979 7.943 ( -9.122 -2.231 -8.156) 12.438 8.294 ( -2.354 3.108 -2.446) 4.603 8.330 ( -1.008 -0.956 -3.734) 3.984 8.380 ( -3.398 0.780 -3.453) 4.907 8.387 ( -5.765 0.001 -4.239) 7.156 ======================= Grid point 67 (30/50) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -2.909 1.351 -0.205) 3.214 1.003 ( 2.909 1.351 -0.205) 3.214 1.026 ( -1.502 -1.132 -1.255) 2.261 1.026 ( 1.502 -1.132 -1.255) 2.261 1.584 ( -4.094 2.144 6.758) 8.187 1.584 ( 4.094 2.144 6.758) 8.187 1.629 ( -3.928 -2.645 5.532) 7.282 1.629 ( 3.928 -2.645 5.532) 7.282 1.981 ( -6.086 1.857 5.731) 8.564 1.981 ( 6.086 1.857 5.731) 8.564 2.013 ( -8.405 -1.743 6.664) 10.867 2.013 ( 8.405 -1.743 6.664) 10.867 2.110 ( -5.141 4.282 3.119) 7.382 2.110 ( 5.141 4.282 3.119) 7.382 2.208 ( -1.323 -6.561 2.847) 7.274 2.208 ( 1.323 -6.561 2.847) 7.274 2.417 ( -2.793 4.772 5.463) 7.773 2.417 ( 2.793 4.772 5.463) 7.773 2.471 ( -7.280 -0.981 6.081) 9.536 2.471 ( 7.280 -0.981 6.081) 9.536 2.609 ( -3.600 -0.985 2.160) 4.312 2.609 ( 3.600 -0.985 2.160) 4.312 2.625 ( -5.271 -1.647 2.801) 6.192 2.625 ( 5.271 -1.647 2.801) 6.192 2.729 ( -3.599 3.853 -0.905) 5.350 2.729 ( 3.599 3.853 -0.905) 5.350 2.817 ( -0.373 -5.076 -0.108) 5.090 2.817 ( 0.373 -5.076 -0.108) 5.090 2.959 ( -2.473 2.694 -0.003) 3.657 2.959 ( 2.473 2.694 -0.003) 3.657 3.002 ( -1.759 -1.263 -1.237) 2.494 3.002 ( 1.759 -1.263 -1.237) 2.494 3.065 ( -1.290 5.263 -2.170) 5.837 3.065 ( 1.290 5.263 -2.170) 5.837 3.143 ( -2.274 -2.868 -3.479) 5.050 3.143 ( 2.274 -2.868 -3.479) 5.050 3.210 ( -4.049 0.767 -2.028) 4.593 3.210 ( 4.049 0.767 -2.028) 4.593 3.241 ( -4.355 -2.475 -3.644) 6.194 3.241 ( 4.354 -2.475 -3.644) 6.194 3.497 ( -2.597 0.662 -1.172) 2.925 3.497 ( 2.597 0.662 -1.172) 2.925 3.508 ( -1.987 -0.070 -2.135) 2.917 3.508 ( 1.987 -0.070 -2.135) 2.917 3.565 ( -0.455 0.736 -5.749) 5.814 3.565 ( 0.455 0.736 -5.749) 5.814 3.581 ( -2.339 -0.731 -4.802) 5.391 3.581 ( 2.339 -0.731 -4.802) 5.391 4.359 ( -5.819 0.141 3.765) 6.933 4.359 ( 5.819 0.141 3.765) 6.933 4.369 ( -6.331 -0.943 5.065) 8.163 4.369 ( 6.331 -0.943 5.065) 8.163 4.546 ( -3.608 1.148 3.454) 5.125 4.546 ( 3.608 1.148 3.454) 5.125 4.561 ( -3.326 -0.487 4.547) 5.655 4.561 ( 3.326 -0.487 4.547) 5.655 5.813 ( -2.698 0.714 7.511) 8.013 5.813 ( 2.698 0.714 7.511) 8.013 5.834 ( -2.338 -1.659 8.688) 9.148 5.834 ( 2.338 -1.659 8.688) 9.148 5.891 ( -1.484 1.012 6.871) 7.102 5.891 ( 1.484 1.012 6.871) 7.102 5.904 ( -1.776 -0.550 5.473) 5.780 5.904 ( 1.776 -0.550 5.473) 5.780 5.983 ( -0.971 2.845 2.545) 3.939 5.983 ( 0.971 2.845 2.545) 3.939 6.046 ( -1.568 -4.035 2.257) 4.882 6.046 ( 1.568 -4.035 2.257) 4.882 6.457 ( -14.999 1.867 2.457) 15.313 6.457 ( 14.999 1.867 2.457) 15.313 6.484 ( -15.376 -1.236 3.171) 15.748 6.484 ( 15.376 -1.236 3.171) 15.748 6.555 ( -3.174 2.702 1.833) 4.554 6.555 ( 3.174 2.702 1.833) 4.554 6.609 ( -3.094 -3.588 3.091) 5.657 6.609 ( 3.094 -3.588 3.091) 5.657 6.805 ( -2.146 7.421 0.801) 7.767 6.805 ( 2.146 7.421 0.801) 7.767 6.902 ( -2.957 -3.026 0.526) 4.263 6.902 ( 2.957 -3.026 0.526) 4.263 7.037 ( -2.943 1.478 2.454) 4.107 7.037 ( 2.943 1.478 2.454) 4.107 7.095 ( -6.066 -4.967 1.663) 8.015 7.095 ( 6.066 -4.967 1.663) 8.015 7.528 ( -3.802 9.196 -5.646) 11.441 7.528 ( 3.802 9.196 -5.646) 11.441 7.691 ( -0.312 -6.534 -9.096) 11.203 7.691 ( 0.312 -6.534 -9.096) 11.203 7.746 ( -8.815 -2.054 -7.575) 11.803 7.746 ( 8.815 -2.054 -7.575) 11.803 7.754 ( -8.669 -1.039 -8.404) 12.119 7.754 ( 8.669 -1.039 -8.404) 12.119 8.294 ( -2.458 3.001 -2.593) 4.666 8.294 ( 2.458 3.001 -2.593) 4.666 8.335 ( -1.271 -1.465 -3.293) 3.822 8.335 ( 1.271 -1.465 -3.293) 3.822 ======================= Grid point 81 (31/50) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.000 0.000 11.344) 11.344 0.979 ( 0.000 0.000 6.370) 6.370 0.992 ( 0.000 0.000 4.442) 4.442 1.002 ( 0.000 0.000 11.851) 11.851 1.200 ( 0.000 0.000 -1.281) 1.281 1.208 ( 0.000 0.000 1.693) 1.693 1.325 ( 0.000 0.000 10.409) 10.409 1.533 ( 0.000 0.000 2.744) 2.744 1.602 ( 0.000 0.000 6.382) 6.382 1.857 ( 0.000 0.000 4.953) 4.953 1.858 ( 0.000 0.000 4.736) 4.736 1.869 ( 0.000 0.000 12.333) 12.333 1.938 ( 0.000 0.000 1.985) 1.985 1.958 ( 0.000 0.000 -4.622) 4.622 2.104 ( 0.000 0.000 -3.990) 3.990 2.170 ( 0.000 0.000 2.179) 2.179 2.181 ( 0.000 0.000 7.755) 7.755 2.338 ( 0.000 0.000 -9.079) 9.079 2.451 ( 0.000 0.000 -1.157) 1.157 2.459 ( 0.000 0.000 1.577) 1.577 2.488 ( 0.000 0.000 -4.934) 4.934 2.496 ( 0.000 0.000 -3.522) 3.522 2.569 ( 0.000 0.000 3.197) 3.197 2.585 ( 0.000 0.000 3.734) 3.734 2.681 ( 0.000 0.000 11.799) 11.799 2.692 ( 0.000 0.000 5.950) 5.950 2.816 ( 0.000 0.000 11.893) 11.893 2.835 ( 0.000 0.000 -1.353) 1.353 2.906 ( 0.000 0.000 4.411) 4.411 2.957 ( 0.000 0.000 0.928) 0.928 2.959 ( 0.000 0.000 7.099) 7.099 3.021 ( 0.000 0.000 0.788) 0.788 3.024 ( 0.000 0.000 -1.567) 1.567 3.066 ( 0.000 0.000 6.929) 6.929 3.181 ( 0.000 0.000 1.108) 1.108 3.239 ( 0.000 0.000 -3.349) 3.349 3.260 ( 0.000 0.000 -0.907) 0.907 3.265 ( 0.000 0.000 3.977) 3.977 3.382 ( 0.000 0.000 -4.350) 4.350 3.435 ( 0.000 0.000 -5.824) 5.824 3.479 ( 0.000 0.000 3.376) 3.376 3.488 ( 0.000 0.000 3.189) 3.189 3.551 ( 0.000 0.000 -5.750) 5.750 3.624 ( 0.000 0.000 -3.016) 3.016 3.729 ( 0.000 0.000 2.365) 2.365 3.843 ( 0.000 0.000 1.100) 1.100 3.910 ( 0.000 0.000 -3.377) 3.377 3.933 ( 0.000 0.000 -2.796) 2.796 4.084 ( 0.000 0.000 5.821) 5.821 4.126 ( 0.000 0.000 7.950) 7.950 4.196 ( 0.000 0.000 4.703) 4.703 4.240 ( 0.000 0.000 5.392) 5.392 4.409 ( 0.000 0.000 -9.837) 9.837 4.471 ( 0.000 0.000 -9.069) 9.069 4.514 ( 0.000 0.000 -8.725) 8.725 4.583 ( 0.000 0.000 -8.795) 8.795 5.348 ( 0.000 0.000 6.054) 6.054 5.349 ( 0.000 0.000 6.062) 6.062 5.569 ( 0.000 0.000 -3.498) 3.498 5.571 ( 0.000 0.000 -3.414) 3.414 5.795 ( 0.000 0.000 0.920) 0.920 5.815 ( 0.000 0.000 -0.015) 0.015 5.827 ( 0.000 0.000 2.637) 2.637 5.845 ( 0.000 0.000 1.207) 1.207 5.962 ( 0.000 0.000 20.465) 20.465 5.982 ( 0.000 0.000 17.089) 17.089 5.986 ( 0.000 0.000 0.185) 0.185 6.066 ( 0.000 0.000 -1.429) 1.429 6.176 ( 0.000 0.000 0.008) 0.008 6.184 ( 0.000 0.000 -0.148) 0.148 6.495 ( 0.000 0.000 1.409) 1.409 6.515 ( 0.000 0.000 0.821) 0.821 6.527 ( 0.000 0.000 1.184) 1.184 6.544 ( 0.000 0.000 -0.605) 0.605 6.603 ( 0.000 0.000 -2.320) 2.320 6.640 ( 0.000 0.000 -1.882) 1.882 6.655 ( 0.000 0.000 -2.212) 2.212 6.714 ( 0.000 0.000 -2.912) 2.912 6.754 ( 0.000 0.000 -6.574) 6.574 6.840 ( 0.000 0.000 -15.099) 15.099 7.022 ( 0.000 0.000 2.773) 2.773 7.135 ( 0.000 0.000 1.988) 1.988 7.148 ( 0.000 0.000 1.198) 1.198 7.227 ( 0.000 0.000 11.454) 11.454 7.378 ( 0.000 0.000 -8.424) 8.424 7.599 ( 0.000 0.000 5.710) 5.710 7.686 ( 0.000 0.000 8.858) 8.858 7.843 ( 0.000 0.000 6.288) 6.288 7.883 ( 0.000 0.000 4.174) 4.174 8.025 ( 0.000 0.000 -22.515) 22.515 8.095 ( 0.000 0.000 -8.942) 8.942 8.215 ( 0.000 0.000 -9.902) 9.902 8.260 ( 0.000 0.000 -4.143) 4.143 8.424 ( 0.000 0.000 -3.215) 3.215 8.435 ( 0.000 0.000 -0.446) 0.446 8.512 ( 0.000 0.000 -9.071) 9.071 ======================= Grid point 82 (32/50) ======================= q-point: ( 0.12 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -3.225 0.000 9.681) 10.204 0.984 ( 0.609 0.000 4.357) 4.399 1.008 ( 0.473 0.000 4.360) 4.385 1.145 ( 10.831 0.000 11.172) 15.560 1.185 ( -1.584 0.000 -0.478) 1.655 1.276 ( 8.108 0.000 4.861) 9.453 1.399 ( 5.704 0.000 8.191) 9.982 1.568 ( 3.563 0.000 2.043) 4.107 1.631 ( 3.284 0.000 7.969) 8.619 1.863 ( 2.537 0.000 3.605) 4.408 1.935 ( 3.057 0.000 4.730) 5.632 1.956 ( 4.343 0.000 7.984) 9.089 1.962 ( 9.401 0.000 3.638) 10.080 2.045 ( 6.981 0.000 -1.263) 7.095 2.090 ( -1.314 0.000 -1.338) 1.876 2.175 ( -0.203 0.000 5.929) 5.932 2.207 ( 3.857 0.000 -0.671) 3.915 2.351 ( 0.159 0.000 -6.834) 6.835 2.425 ( -2.392 0.000 -1.003) 2.593 2.450 ( 0.346 0.000 4.994) 5.006 2.534 ( -1.897 0.000 2.693) 3.294 2.543 ( 4.655 0.000 -5.133) 6.929 2.573 ( 1.521 0.000 0.739) 1.690 2.596 ( 4.987 0.000 -0.449) 5.007 2.617 ( -3.991 0.000 4.376) 5.923 2.692 ( 1.473 0.000 11.882) 11.973 2.813 ( -1.533 0.000 0.011) 1.533 2.886 ( -2.014 0.000 4.148) 4.611 2.894 ( 5.742 0.000 7.507) 9.451 2.939 ( -1.001 0.000 1.796) 2.056 2.985 ( 1.217 0.000 2.117) 2.442 3.022 ( 0.652 0.000 0.045) 0.654 3.033 ( -0.279 0.000 -2.542) 2.557 3.131 ( 4.763 0.000 4.259) 6.390 3.190 ( -0.087 0.000 3.218) 3.219 3.197 ( -3.422 0.000 -1.196) 3.625 3.207 ( -3.433 0.000 0.754) 3.515 3.298 ( 1.771 0.000 -0.173) 1.780 3.324 ( -3.338 0.000 4.312) 5.453 3.412 ( -5.429 0.000 3.553) 6.488 3.427 ( -1.821 0.000 -4.767) 5.103 3.507 ( -0.593 0.000 -4.346) 4.386 3.559 ( 0.999 0.000 -2.610) 2.794 3.596 ( -2.739 0.000 -4.423) 5.202 3.693 ( -3.552 0.000 0.792) 3.639 3.723 ( -9.683 0.000 -0.631) 9.703 3.783 ( -8.388 0.000 -1.794) 8.578 3.792 ( -6.837 0.000 -2.963) 7.451 4.184 ( 1.731 0.000 5.463) 5.730 4.205 ( 3.223 0.000 3.404) 4.688 4.273 ( 8.451 0.000 5.377) 10.017 4.293 ( 7.047 0.000 5.979) 9.242 4.458 ( 3.430 0.000 -7.726) 8.453 4.486 ( 1.664 0.000 -7.743) 7.919 4.534 ( 1.774 0.000 -6.256) 6.502 4.583 ( 0.172 0.000 -7.337) 7.339 5.467 ( 10.867 0.000 6.190) 12.506 5.469 ( 11.072 0.000 6.183) 12.681 5.684 ( 9.951 0.000 -2.417) 10.241 5.691 ( 10.178 0.000 -2.851) 10.569 5.810 ( 1.125 0.000 0.964) 1.481 5.829 ( 1.193 0.000 1.195) 1.688 5.837 ( 1.392 0.000 1.245) 1.867 5.866 ( 1.665 0.000 0.720) 1.813 5.939 ( -1.558 0.000 6.315) 6.504 5.994 ( 3.043 0.000 19.656) 19.890 6.017 ( -0.968 0.000 1.544) 1.822 6.065 ( 2.183 0.000 8.454) 8.731 6.162 ( -1.442 0.000 0.103) 1.445 6.168 ( -1.784 0.000 0.182) 1.793 6.473 ( -1.348 0.000 2.175) 2.559 6.510 ( 0.997 0.000 0.673) 1.203 6.545 ( 0.958 0.000 0.386) 1.033 6.546 ( 2.237 0.000 -1.549) 2.721 6.629 ( -0.896 0.000 -2.025) 2.215 6.670 ( 5.054 0.000 -1.502) 5.272 6.700 ( -0.951 0.000 -2.935) 3.085 6.755 ( 7.256 0.000 -2.295) 7.611 6.787 ( 2.565 0.000 -4.603) 5.269 6.870 ( 2.750 0.000 -13.885) 14.155 7.033 ( 0.980 0.000 1.168) 1.525 7.124 ( -1.582 0.000 2.687) 3.119 7.140 ( -0.236 0.000 2.031) 2.045 7.220 ( -0.693 0.000 9.518) 9.543 7.396 ( 1.710 0.000 -9.026) 9.186 7.558 ( -3.839 0.000 6.137) 7.239 7.640 ( -4.293 0.000 8.462) 9.489 7.789 ( -4.804 0.000 5.820) 7.547 7.830 ( -5.175 0.000 3.301) 6.139 7.941 ( -7.728 0.000 -20.150) 21.581 8.049 ( -4.366 0.000 -9.482) 10.439 8.153 ( -5.700 0.000 -9.129) 10.762 8.254 ( -0.436 0.000 -3.689) 3.715 8.396 ( -2.597 0.000 -2.801) 3.820 8.416 ( -1.791 0.000 -0.767) 1.949 8.477 ( -3.252 0.000 -8.344) 8.955 ======================= Grid point 83 (33/50) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 1.283 0.000 7.760) 7.865 0.989 ( 0.431 0.000 1.291) 1.361 1.022 ( 0.661 0.000 3.320) 3.385 1.139 ( -2.513 0.000 0.584) 2.580 1.358 ( 10.302 0.000 10.737) 14.880 1.492 ( 7.398 0.000 7.528) 10.555 1.550 ( 11.230 0.000 4.709) 12.178 1.676 ( 6.260 0.000 0.936) 6.330 1.746 ( 7.625 0.000 8.655) 11.534 1.948 ( 5.207 0.000 1.245) 5.354 2.041 ( 7.216 0.000 3.981) 8.241 2.054 ( -1.967 0.000 1.140) 2.274 2.073 ( 5.715 0.000 9.038) 10.693 2.168 ( 4.846 0.000 -0.480) 4.870 2.182 ( 5.312 0.000 5.160) 7.406 2.228 ( 10.142 0.000 4.321) 11.024 2.314 ( 5.239 0.000 1.796) 5.539 2.362 ( -3.280 0.000 1.047) 3.443 2.380 ( 4.054 0.000 -9.345) 10.186 2.451 ( 0.350 0.000 6.348) 6.358 2.532 ( -0.636 0.000 5.553) 5.589 2.532 ( 2.856 0.000 1.733) 3.340 2.633 ( 4.072 0.000 2.599) 4.831 2.696 ( 4.764 0.000 -6.536) 8.088 2.720 ( 5.572 0.000 -0.171) 5.575 2.742 ( 3.367 0.000 10.359) 10.892 2.760 ( -2.124 0.000 -1.631) 2.678 2.845 ( -1.386 0.000 1.728) 2.215 2.874 ( -3.675 0.000 -0.191) 3.680 2.967 ( -1.803 0.000 -3.497) 3.934 3.016 ( -1.784 0.000 -4.654) 4.984 3.053 ( 0.848 0.000 -0.994) 1.307 3.057 ( 6.555 0.000 4.778) 8.111 3.075 ( -5.424 0.000 -0.685) 5.467 3.109 ( -4.533 0.000 1.972) 4.943 3.169 ( -3.383 0.000 1.584) 3.736 3.213 ( -3.224 0.000 3.462) 4.730 3.253 ( -3.428 0.000 2.954) 4.526 3.293 ( -0.964 0.000 2.601) 2.774 3.352 ( 2.729 0.000 3.327) 4.303 3.361 ( -4.915 0.000 -2.935) 5.725 3.460 ( -3.779 0.000 -5.550) 6.715 3.500 ( -6.819 0.000 -5.788) 8.944 3.549 ( -4.822 0.000 0.097) 4.823 3.577 ( -0.383 0.000 -3.760) 3.780 3.592 ( -4.746 0.000 -1.737) 5.054 3.645 ( -5.077 0.000 -3.531) 6.185 3.678 ( -4.085 0.000 -4.114) 5.798 4.253 ( 5.349 0.000 7.062) 8.859 4.262 ( 3.422 0.000 4.843) 5.930 4.433 ( 5.325 0.000 3.762) 6.520 4.449 ( 7.786 0.000 3.839) 8.682 4.516 ( 2.013 0.000 -5.098) 5.481 4.543 ( 3.639 0.000 -4.154) 5.523 4.573 ( 1.611 0.000 -1.140) 1.974 4.579 ( -1.072 0.000 -3.759) 3.909 5.746 ( 14.097 0.000 5.145) 15.007 5.768 ( 17.043 0.000 6.037) 18.081 5.827 ( 1.709 0.000 2.001) 2.632 5.851 ( 1.067 0.000 2.053) 2.314 5.877 ( 3.167 0.000 0.309) 3.182 5.886 ( 2.583 0.000 2.903) 3.886 5.904 ( 2.363 0.000 1.367) 2.730 5.921 ( 11.677 0.000 3.290) 12.132 5.950 ( 3.555 0.000 -0.862) 3.658 5.982 ( -1.545 0.000 -0.308) 1.575 6.084 ( 5.513 0.000 16.168) 17.082 6.100 ( -0.954 0.000 2.955) 3.106 6.140 ( 1.411 0.000 2.738) 3.081 6.169 ( 4.071 0.000 9.403) 10.246 6.450 ( -0.805 0.000 2.294) 2.431 6.555 ( -0.004 0.000 0.376) 0.376 6.569 ( 4.403 0.000 1.995) 4.834 6.610 ( -0.789 0.000 -2.457) 2.580 6.641 ( 6.152 0.000 -1.946) 6.452 6.676 ( -1.498 0.000 -1.857) 2.386 6.775 ( 4.640 0.000 -1.449) 4.861 6.845 ( 2.780 0.000 -2.911) 4.025 6.900 ( 5.700 0.000 -4.220) 7.092 6.940 ( 3.610 0.000 -8.416) 9.158 7.053 ( 0.420 0.000 -0.251) 0.489 7.073 ( -3.077 0.000 4.776) 5.681 7.141 ( 0.444 0.000 0.970) 1.066 7.194 ( -2.117 0.000 7.114) 7.423 7.439 ( 1.988 0.000 -9.931) 10.128 7.465 ( -4.054 0.000 5.851) 7.118 7.529 ( -5.466 0.000 5.301) 7.615 7.672 ( -6.354 0.000 0.738) 6.396 7.675 ( -9.525 0.000 1.437) 9.633 7.744 ( -9.877 0.000 -12.193) 15.691 7.925 ( -7.396 0.000 -10.471) 12.819 7.997 ( -9.068 0.000 -8.771) 12.616 8.246 ( -0.264 0.000 -2.971) 2.983 8.327 ( -3.771 0.000 -1.621) 4.105 8.368 ( -2.740 0.000 -1.804) 3.280 8.390 ( -4.758 0.000 -6.156) 7.781 ======================= Grid point 84 (34/50) ======================= q-point: ( 0.38 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 4.514 0.000 4.799) 6.588 1.010 ( 1.405 0.000 1.104) 1.787 1.035 ( 0.715 0.000 2.610) 2.707 1.095 ( -1.883 0.000 1.716) 2.548 1.563 ( 9.084 0.000 7.987) 12.096 1.618 ( 5.879 0.000 6.112) 8.481 1.744 ( 4.533 0.000 3.386) 5.658 1.774 ( 2.358 0.000 2.157) 3.196 1.921 ( 8.715 0.000 6.645) 10.960 2.032 ( 1.789 0.000 5.292) 5.586 2.048 ( 3.767 0.000 2.315) 4.421 2.127 ( 0.564 0.000 6.875) 6.899 2.214 ( 8.293 0.000 4.153) 9.275 2.262 ( -2.265 0.000 0.224) 2.276 2.277 ( 6.894 0.000 -2.204) 7.238 2.302 ( -3.352 0.000 3.940) 5.173 2.344 ( 6.241 0.000 8.559) 10.593 2.461 ( 1.322 0.000 -1.501) 2.000 2.465 ( 0.412 0.000 5.063) 5.080 2.516 ( 12.255 0.000 3.131) 12.648 2.577 ( 3.853 0.000 2.842) 4.787 2.650 ( 5.590 0.000 2.242) 6.023 2.682 ( 0.277 0.000 -2.847) 2.860 2.687 ( 1.381 0.000 5.102) 5.286 2.775 ( -5.164 0.000 1.024) 5.264 2.784 ( 1.319 0.000 5.233) 5.396 2.818 ( -0.159 0.000 0.014) 0.160 2.819 ( 1.645 0.000 -8.219) 8.382 2.854 ( 4.573 0.000 0.776) 4.638 2.916 ( -4.274 0.000 -3.626) 5.605 2.957 ( 1.423 0.000 -0.642) 1.561 3.024 ( -3.662 0.000 -0.590) 3.710 3.038 ( -0.095 0.000 -3.096) 3.097 3.058 ( -0.377 0.000 -3.685) 3.704 3.063 ( -6.736 0.000 -2.745) 7.274 3.076 ( -3.270 0.000 0.644) 3.333 3.093 ( -4.424 0.000 1.274) 4.604 3.177 ( -4.046 0.000 -3.013) 5.045 3.245 ( -6.631 0.000 -3.762) 7.624 3.301 ( -7.171 0.000 -4.756) 8.605 3.348 ( 3.931 0.000 1.042) 4.067 3.407 ( 0.229 0.000 -4.656) 4.662 3.460 ( 3.909 0.000 1.685) 4.257 3.508 ( 0.154 0.000 0.241) 0.286 3.515 ( -3.255 0.000 -2.941) 4.387 3.548 ( -4.644 0.000 -3.157) 5.615 3.567 ( -1.003 0.000 -0.816) 1.293 3.613 ( -2.800 0.000 -2.490) 3.747 4.345 ( 4.370 0.000 4.838) 6.519 4.389 ( 7.147 0.000 7.721) 10.521 4.510 ( 2.433 0.000 1.329) 2.772 4.517 ( -2.992 0.000 1.180) 3.216 4.554 ( -0.078 0.000 -3.493) 3.494 4.577 ( 3.260 0.000 2.994) 4.426 4.583 ( 0.270 0.000 2.635) 2.649 4.615 ( 2.737 0.000 0.021) 2.737 5.836 ( 1.205 0.000 1.549) 1.963 5.861 ( 0.728 0.000 1.495) 1.663 5.904 ( -0.823 0.000 1.878) 2.050 5.922 ( 1.367 0.000 0.248) 1.389 5.924 ( 0.661 0.000 0.837) 1.066 5.940 ( -1.414 0.000 0.091) 1.417 5.973 ( 2.567 0.000 1.120) 2.801 6.002 ( 0.453 0.000 -0.894) 1.002 6.099 ( 9.042 0.000 12.845) 15.708 6.150 ( 14.541 0.000 6.231) 15.820 6.181 ( 9.108 0.000 8.912) 12.743 6.205 ( 5.828 0.000 12.017) 13.355 6.230 ( 5.534 0.000 7.432) 9.266 6.298 ( 9.374 0.000 10.699) 14.225 6.451 ( 1.420 0.000 0.072) 1.422 6.544 ( -1.072 0.000 0.226) 1.096 6.599 ( -0.908 0.000 -2.366) 2.534 6.640 ( -1.345 0.000 -0.682) 1.508 6.673 ( 5.356 0.000 3.589) 6.447 6.759 ( 3.471 0.000 -0.615) 3.525 6.825 ( -1.182 0.000 -2.508) 2.773 6.855 ( -4.481 0.000 -5.016) 6.726 6.926 ( -3.546 0.000 -0.489) 3.580 6.978 ( -0.702 0.000 -1.049) 1.263 7.033 ( 0.813 0.000 4.852) 4.919 7.055 ( 2.274 0.000 6.048) 6.461 7.139 ( -2.457 0.000 5.674) 6.183 7.189 ( 4.869 0.000 -2.605) 5.521 7.411 ( -8.002 0.000 -0.671) 8.030 7.439 ( 0.450 0.000 -1.648) 1.708 7.469 ( -1.703 0.000 -3.512) 3.903 7.505 ( -1.630 0.000 -10.675) 10.799 7.511 ( -6.562 0.000 -8.777) 10.959 7.623 ( -1.912 0.000 -2.147) 2.875 7.760 ( -8.299 0.000 -10.690) 13.533 7.798 ( -9.556 0.000 -8.309) 12.663 8.239 ( -1.022 0.000 -1.218) 1.590 8.267 ( -0.991 0.000 -1.800) 2.055 8.290 ( -4.135 0.000 -3.594) 5.479 8.319 ( -2.401 0.000 -2.444) 3.426 ======================= Grid point 85 (35/50) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -1.422 0.000 2.312) 2.714 1.023 ( 1.422 0.000 2.312) 2.714 1.052 ( -1.657 0.000 2.471) 2.975 1.052 ( 1.657 0.000 2.471) 2.975 1.705 ( -2.309 0.000 5.506) 5.971 1.705 ( 2.309 0.000 5.506) 5.971 1.749 ( -2.375 0.000 3.513) 4.241 1.749 ( 2.376 0.000 3.513) 4.241 2.063 ( -3.443 0.000 3.972) 5.257 2.063 ( 3.443 0.000 3.972) 5.257 2.162 ( -8.565 0.000 6.030) 10.475 2.162 ( 8.565 0.000 6.030) 10.475 2.164 ( -4.601 0.000 4.907) 6.727 2.164 ( 4.601 0.000 4.907) 6.727 2.365 ( -5.701 0.000 3.898) 6.906 2.365 ( 5.701 0.000 3.898) 6.906 2.422 ( -5.252 0.000 -0.850) 5.320 2.422 ( 5.252 0.000 -0.850) 5.320 2.566 ( -8.949 0.000 3.274) 9.529 2.566 ( 8.949 0.000 3.274) 9.529 2.677 ( -1.160 0.000 5.390) 5.513 2.677 ( 1.160 0.000 5.390) 5.513 2.688 ( -4.866 0.000 0.213) 4.871 2.688 ( 4.866 0.000 0.213) 4.871 2.741 ( -4.933 0.000 4.369) 6.590 2.741 ( 4.933 0.000 4.369) 6.590 2.880 ( -6.152 0.000 -6.749) 9.132 2.880 ( 6.152 0.000 -6.749) 9.132 2.882 ( -4.883 0.000 0.805) 4.949 2.882 ( 4.883 0.000 0.805) 4.949 2.957 ( -3.163 0.000 -0.251) 3.173 2.957 ( 3.163 0.000 -0.251) 3.173 2.967 ( -2.091 0.000 -1.642) 2.659 2.967 ( 2.091 0.000 -1.642) 2.659 3.090 ( -3.237 0.000 -3.408) 4.700 3.090 ( 3.237 0.000 -3.408) 4.700 3.115 ( -4.915 0.000 -6.593) 8.223 3.115 ( 4.915 0.000 -6.593) 8.223 3.144 ( -6.867 0.000 -6.523) 9.472 3.144 ( 6.867 0.000 -6.523) 9.472 3.442 ( -3.643 0.000 -1.995) 4.153 3.442 ( 3.643 0.000 -1.995) 4.153 3.457 ( -2.762 0.000 -2.125) 3.485 3.457 ( 2.762 0.000 -2.125) 3.485 3.527 ( -0.627 0.000 1.369) 1.506 3.527 ( 0.627 0.000 1.369) 1.506 3.552 ( -2.315 0.000 -0.476) 2.363 3.552 ( 2.315 0.000 -0.476) 2.363 4.435 ( -4.361 0.000 3.679) 5.706 4.435 ( 4.361 0.000 3.679) 5.706 4.519 ( -4.939 0.000 6.445) 8.120 4.519 ( 4.939 0.000 6.445) 8.120 4.545 ( -1.055 0.000 -0.977) 1.438 4.545 ( 1.055 0.000 -0.977) 1.438 4.637 ( -0.864 0.000 1.672) 1.882 4.637 ( 0.864 0.000 1.672) 1.882 5.866 ( -1.531 0.000 1.298) 2.007 5.866 ( 1.531 0.000 1.298) 2.007 5.892 ( -1.606 0.000 0.957) 1.870 5.892 ( 1.606 0.000 0.957) 1.870 5.941 ( -0.210 0.000 0.142) 0.254 5.941 ( 0.210 0.000 0.142) 0.254 5.998 ( -0.689 0.000 -0.150) 0.706 5.998 ( 0.689 0.000 -0.150) 0.706 6.207 ( -2.768 0.000 15.436) 15.682 6.207 ( 2.768 0.000 15.436) 15.682 6.279 ( -1.259 0.000 12.898) 12.959 6.279 ( 1.259 0.000 12.898) 12.959 6.470 ( -8.416 0.000 1.267) 8.511 6.470 ( 8.416 0.000 1.267) 8.511 6.517 ( -1.157 0.000 -0.698) 1.351 6.517 ( 1.157 0.000 -0.698) 1.351 6.592 ( -15.337 0.000 3.556) 15.744 6.592 ( 15.337 0.000 3.556) 15.744 6.693 ( -6.888 0.000 -1.196) 6.991 6.693 ( 6.888 0.000 -1.196) 6.991 6.776 ( -4.097 0.000 4.217) 5.880 6.776 ( 4.097 0.000 4.217) 5.880 6.931 ( -3.297 0.000 -0.537) 3.341 6.931 ( 3.298 0.000 -0.537) 3.341 7.086 ( -3.102 0.000 3.522) 4.693 7.086 ( 3.102 0.000 3.522) 4.693 7.194 ( -10.016 0.000 2.837) 10.410 7.194 ( 10.016 0.000 2.837) 10.410 7.319 ( -7.251 0.000 -6.129) 9.494 7.319 ( 7.251 0.000 -6.129) 9.494 7.487 ( -1.547 0.000 -11.141) 11.248 7.487 ( 1.547 0.000 -11.141) 11.248 7.585 ( -8.068 0.000 -7.563) 11.058 7.585 ( 8.068 0.000 -7.563) 11.058 7.649 ( -4.347 0.000 -6.693) 7.981 7.649 ( 4.347 0.000 -6.693) 7.981 8.231 ( -1.198 0.000 -0.840) 1.463 8.231 ( 1.198 0.000 -0.840) 1.463 8.279 ( -1.441 0.000 -2.814) 3.162 8.279 ( 1.441 0.000 -2.814) 3.162 ======================= Grid point 90 (36/50) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.000 0.266 7.566) 7.570 0.981 ( 0.000 -0.848 5.004) 5.075 1.007 ( 0.000 5.125 9.239) 10.565 1.064 ( 0.000 4.099 6.682) 7.839 1.130 ( 0.000 -5.396 5.327) 7.582 1.167 ( 0.000 -4.365 4.422) 6.213 1.364 ( 0.000 3.610 6.509) 7.444 1.443 ( 0.000 -5.588 4.570) 7.219 1.708 ( 0.000 7.109 3.915) 8.116 1.809 ( 0.000 -4.401 2.586) 5.105 1.865 ( 0.000 0.015 9.100) 9.100 1.869 ( 0.000 -0.042 6.360) 6.360 1.934 ( 0.000 0.068 2.042) 2.043 1.946 ( 0.000 -1.117 0.078) 1.120 2.152 ( 0.000 4.608 -2.830) 5.408 2.192 ( 0.000 1.693 -2.495) 3.015 2.260 ( 0.000 7.807 5.335) 9.456 2.329 ( 0.000 -3.500 -2.369) 4.227 2.372 ( 0.000 -5.850 -0.827) 5.908 2.387 ( 0.000 -1.717 -2.702) 3.202 2.479 ( 0.000 -5.253 6.647) 8.472 2.497 ( 0.000 -2.295 0.212) 2.305 2.567 ( 0.000 2.207 -0.419) 2.247 2.569 ( 0.000 0.628 1.572) 1.693 2.726 ( 0.000 4.416 9.174) 10.182 2.757 ( 0.000 4.961 3.836) 6.271 2.806 ( 0.000 -2.986 8.223) 8.748 2.838 ( 0.000 -1.144 -1.138) 1.613 2.866 ( 0.000 0.793 2.319) 2.451 2.914 ( 0.000 -5.511 2.365) 5.998 2.986 ( 0.000 2.317 5.695) 6.148 3.032 ( 0.000 -3.027 5.666) 6.424 3.056 ( 0.000 6.554 2.416) 6.985 3.094 ( 0.000 2.060 -1.995) 2.868 3.162 ( 0.000 -1.263 0.660) 1.425 3.194 ( 0.000 -3.827 0.942) 3.942 3.256 ( 0.000 -0.265 0.330) 0.423 3.261 ( 0.000 -1.071 3.575) 3.732 3.404 ( 0.000 2.394 -5.531) 6.026 3.434 ( 0.000 -0.762 -5.276) 5.330 3.491 ( 0.000 0.614 1.762) 1.866 3.497 ( 0.000 0.687 1.668) 1.804 3.559 ( 0.000 1.533 -3.678) 3.985 3.602 ( 0.000 -2.545 -2.279) 3.417 3.746 ( 0.000 2.232 1.761) 2.843 3.800 ( 0.000 -3.631 1.220) 3.831 3.919 ( 0.000 0.466 -3.430) 3.462 3.926 ( 0.000 -0.532 -3.108) 3.154 4.100 ( 0.000 1.491 6.358) 6.530 4.121 ( 0.000 -0.720 7.367) 7.402 4.205 ( 0.000 1.049 5.005) 5.113 4.227 ( 0.000 -1.289 5.362) 5.515 4.428 ( 0.000 1.940 -9.568) 9.762 4.461 ( 0.000 -1.438 -9.211) 9.323 4.528 ( 0.000 1.797 -8.702) 8.885 4.564 ( 0.000 -1.922 -8.758) 8.967 5.348 ( 0.000 0.030 6.056) 6.056 5.349 ( 0.000 -0.035 6.060) 6.060 5.569 ( 0.000 0.041 -3.469) 3.469 5.570 ( 0.000 -0.057 -3.425) 3.426 5.806 ( 0.000 1.255 1.207) 1.741 5.818 ( 0.000 0.268 0.674) 0.725 5.825 ( 0.000 -0.202 2.054) 2.064 5.833 ( 0.000 -1.295 1.529) 2.003 5.962 ( 0.000 0.247 15.759) 15.761 5.974 ( 0.000 -0.847 16.417) 16.439 5.996 ( 0.000 1.490 3.375) 3.689 6.037 ( 0.000 -2.791 0.292) 2.807 6.172 ( 0.000 -0.259 0.008) 0.260 6.174 ( 0.000 -0.597 0.019) 0.597 6.497 ( 0.000 0.326 1.170) 1.215 6.507 ( 0.000 -0.698 1.204) 1.392 6.528 ( 0.000 0.163 0.118) 0.201 6.535 ( 0.000 -0.660 -0.500) 0.828 6.584 ( 0.000 -0.760 -3.137) 3.228 6.586 ( 0.000 -1.252 -3.376) 3.601 6.753 ( 0.000 2.350 -8.982) 9.284 6.763 ( 0.000 1.525 -7.515) 7.668 6.812 ( 0.000 8.552 1.675) 8.714 6.878 ( 0.000 3.586 -5.949) 6.946 7.015 ( 0.000 -0.992 0.554) 1.136 7.065 ( 0.000 -9.458 2.271) 9.727 7.144 ( 0.000 0.344 1.471) 1.510 7.153 ( 0.000 0.010 1.178) 1.178 7.581 ( 0.000 15.182 -0.315) 15.186 7.596 ( 0.000 0.591 6.607) 6.634 7.641 ( 0.000 -3.997 9.582) 10.383 7.808 ( 0.000 -9.523 2.763) 9.915 7.884 ( 0.000 4.676 -1.190) 4.825 7.987 ( 0.000 -4.877 -13.737) 14.577 8.077 ( 0.000 -1.611 -8.858) 9.003 8.082 ( 0.000 -4.984 -9.547) 10.770 8.363 ( 0.000 4.849 -3.683) 6.089 8.414 ( 0.000 -1.421 -3.278) 3.573 8.470 ( 0.000 2.835 -4.466) 5.290 8.505 ( 0.000 -1.080 -7.840) 7.914 ======================= Grid point 91 (37/50) ======================= q-point: ( 0.12 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -2.589 2.530 7.359) 8.202 0.973 ( -0.841 -2.073 4.033) 4.612 1.031 ( 1.780 4.061 6.562) 7.920 1.124 ( 0.307 -5.661 3.675) 6.756 1.196 ( 10.205 4.843 8.209) 13.964 1.271 ( 9.027 -2.477 3.980) 10.172 1.396 ( 3.454 1.463 8.415) 9.213 1.468 ( 3.109 -6.155 5.711) 8.953 1.731 ( 2.699 6.232 3.633) 7.702 1.821 ( 2.498 -4.201 2.142) 5.336 1.946 ( 2.686 0.879 1.218) 3.078 1.954 ( 5.352 0.056 6.029) 8.062 1.972 ( 8.742 0.987 6.382) 10.869 2.004 ( 5.519 -2.495 3.931) 7.221 2.185 ( 0.263 6.239 -1.777) 6.492 2.214 ( 2.919 1.156 -0.478) 3.175 2.237 ( -1.021 6.130 1.749) 6.456 2.355 ( -1.741 -3.964 -0.995) 4.443 2.388 ( 1.371 -0.019 -3.344) 3.614 2.393 ( 3.715 -3.877 1.774) 5.655 2.472 ( 1.601 -3.615 -2.054) 4.455 2.484 ( 1.987 -6.327 5.952) 8.911 2.571 ( -1.078 2.847 2.642) 4.031 2.605 ( -0.413 -0.585 2.895) 2.982 2.719 ( 0.374 6.021 4.272) 7.392 2.740 ( 1.511 5.561 5.409) 7.904 2.805 ( -1.489 -3.543 2.142) 4.400 2.830 ( 0.504 -2.244 2.493) 3.392 2.892 ( 3.242 -0.297 3.803) 5.006 2.916 ( 0.234 -4.574 1.967) 4.985 2.987 ( -2.174 3.098 -1.032) 3.923 3.033 ( 0.068 -1.263 -0.308) 1.302 3.079 ( 0.826 4.489 0.512) 4.593 3.139 ( 4.666 -0.024 4.860) 6.737 3.169 ( -1.398 -1.199 3.208) 3.700 3.177 ( 0.565 -1.414 0.774) 1.708 3.225 ( -2.968 1.500 1.820) 3.790 3.268 ( -0.024 -3.121 2.369) 3.918 3.343 ( -3.983 2.727 -1.247) 4.986 3.393 ( -4.254 -2.563 -0.154) 4.969 3.458 ( -2.157 2.822 -1.952) 4.053 3.495 ( -0.922 -1.281 -2.925) 3.324 3.572 ( 0.732 1.461 -2.680) 3.139 3.595 ( -1.056 -0.704 -3.740) 3.949 3.687 ( -5.629 -0.105 0.386) 5.643 3.702 ( -8.503 -1.674 -0.103) 8.667 3.785 ( -7.720 0.571 -2.252) 8.062 3.795 ( -7.395 -0.235 -2.488) 7.806 4.189 ( 1.886 0.544 4.956) 5.331 4.200 ( 2.510 -0.595 4.023) 4.779 4.280 ( 8.349 0.631 5.463) 9.998 4.289 ( 7.690 -0.387 5.679) 9.568 4.467 ( 2.859 0.932 -7.710) 8.275 4.483 ( 1.948 -0.620 -7.699) 7.966 4.543 ( 1.445 1.227 -6.549) 6.818 4.569 ( 0.587 -1.458 -7.097) 7.269 5.468 ( 10.925 0.068 6.191) 12.558 5.469 ( 11.028 -0.057 6.187) 12.645 5.686 ( 10.010 0.183 -2.491) 10.317 5.689 ( 10.124 -0.186 -2.709) 10.482 5.820 ( 0.915 0.987 1.256) 1.841 5.831 ( 0.738 -0.089 1.862) 2.005 5.838 ( 1.991 0.431 0.618) 2.129 5.856 ( 1.992 -1.166 1.147) 2.577 5.941 ( -1.312 0.755 6.292) 6.471 5.970 ( 0.012 -2.147 9.940) 10.169 6.033 ( 1.965 1.384 9.443) 9.744 6.057 ( 2.748 -1.061 9.810) 10.242 6.146 ( -2.290 -0.896 -0.074) 2.460 6.150 ( -2.033 -1.269 -0.027) 2.397 6.488 ( -0.656 1.257 2.006) 2.457 6.505 ( 0.393 -0.584 1.333) 1.507 6.541 ( 2.106 -0.233 -1.122) 2.397 6.542 ( 1.585 -0.330 -0.446) 1.679 6.626 ( 2.463 0.405 -2.908) 3.832 6.643 ( 3.461 -1.414 -2.687) 4.604 6.761 ( 1.005 3.309 -5.676) 6.647 6.788 ( 2.044 0.004 -7.014) 7.306 6.845 ( 3.510 7.684 1.138) 8.524 6.902 ( 2.246 3.009 -6.657) 7.643 7.020 ( 0.376 -1.561 -0.825) 1.805 7.061 ( -0.462 -8.025 1.810) 8.240 7.138 ( -0.283 1.118 1.827) 2.161 7.161 ( 0.491 -1.433 1.513) 2.141 7.555 ( -3.460 2.502 5.842) 7.236 7.571 ( -1.255 11.849 -0.347) 11.920 7.601 ( -3.652 -3.591 9.264) 10.586 7.768 ( -3.904 -7.832 1.514) 8.881 7.821 ( -5.627 3.771 -0.953) 6.840 7.907 ( -7.243 -4.187 -11.919) 14.562 8.030 ( -4.394 -1.666 -9.223) 10.351 8.042 ( -3.880 -4.998 -9.618) 11.513 8.338 ( -2.161 4.636 -3.349) 6.114 8.387 ( -2.484 -1.312 -2.880) 4.023 8.442 ( -2.487 2.255 -3.870) 5.123 8.471 ( -3.106 -0.911 -7.135) 7.835 ======================= Grid point 92 (38/50) ======================= q-point: ( 0.25 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 1.105 3.288 5.894) 6.839 0.967 ( 0.693 -2.604 2.424) 3.624 1.047 ( -0.030 2.860 3.117) 4.230 1.105 ( -1.599 -3.335 1.683) 4.063 1.404 ( 9.395 4.712 9.638) 14.261 1.487 ( 5.908 -3.098 8.300) 10.648 1.533 ( 13.002 1.039 5.316) 14.085 1.597 ( 9.067 -5.354 5.034) 11.672 1.820 ( 5.476 5.251 4.427) 8.784 1.906 ( 4.866 -4.498 2.846) 7.212 2.034 ( 5.349 1.641 0.698) 5.638 2.064 ( 4.568 -0.634 4.086) 6.162 2.115 ( 3.613 3.071 6.276) 7.865 2.162 ( 7.032 -1.724 3.256) 7.938 2.204 ( 3.975 3.225 2.704) 5.789 2.253 ( 3.263 2.382 0.960) 4.153 2.272 ( 4.142 -3.386 0.401) 5.365 2.315 ( -0.322 -4.434 0.090) 4.446 2.428 ( 0.744 3.613 -0.264) 3.698 2.474 ( 2.313 4.545 3.080) 5.958 2.514 ( 3.356 -3.279 0.769) 4.755 2.567 ( 0.013 2.069 5.058) 5.465 2.588 ( 3.894 -1.541 1.139) 4.340 2.609 ( 7.242 -6.839 0.640) 9.981 2.742 ( 0.356 0.812 3.001) 3.129 2.770 ( -1.397 -1.123 0.305) 1.818 2.806 ( 3.798 5.292 -1.591) 6.705 2.849 ( 1.690 3.162 4.102) 5.448 2.915 ( -0.705 -3.581 -1.788) 4.064 2.922 ( -2.411 1.845 -2.240) 3.773 2.983 ( 3.012 -3.575 3.885) 6.079 2.998 ( -2.458 -2.489 -3.830) 5.187 3.084 ( -1.455 2.085 -0.399) 2.574 3.115 ( -2.663 0.115 0.416) 2.698 3.126 ( -5.080 2.382 0.528) 5.635 3.158 ( -3.513 -1.187 2.489) 4.466 3.232 ( -1.107 2.086 2.990) 3.811 3.262 ( -3.565 1.178 1.246) 3.955 3.275 ( 1.223 -2.179 2.525) 3.553 3.296 ( -1.991 -2.711 1.059) 3.526 3.421 ( -1.576 3.325 -1.105) 3.842 3.455 ( -3.450 -0.674 -4.127) 5.421 3.507 ( -7.440 0.732 -4.559) 8.757 3.532 ( -5.691 -1.829 -1.294) 6.116 3.575 ( -1.030 0.173 -2.679) 2.875 3.585 ( -2.523 -0.719 -2.216) 3.434 3.654 ( -5.135 1.055 -3.632) 6.378 3.673 ( -4.482 -0.801 -3.969) 6.040 4.252 ( 4.600 0.004 6.232) 7.745 4.256 ( 3.736 -0.465 5.296) 6.497 4.441 ( 6.143 0.696 3.837) 7.276 4.449 ( 7.175 -0.132 3.629) 8.042 4.518 ( 1.790 0.432 -4.829) 5.168 4.532 ( 2.181 -1.072 -4.546) 5.155 4.577 ( 1.395 0.581 -2.008) 2.513 4.583 ( 0.849 -0.008 -2.572) 2.709 5.751 ( 14.565 0.494 5.326) 15.516 5.761 ( 15.896 -0.639 5.723) 16.907 5.834 ( 1.463 0.697 1.994) 2.570 5.846 ( 1.129 -0.584 2.004) 2.373 5.880 ( 3.586 0.589 0.397) 3.656 5.892 ( 3.656 -0.119 1.360) 3.903 5.906 ( 4.357 0.540 3.678) 5.727 5.918 ( 8.265 -0.413 3.160) 8.858 5.943 ( 2.192 0.073 -0.295) 2.213 5.967 ( 0.206 -1.849 1.632) 2.474 6.078 ( 1.740 0.965 3.668) 4.173 6.111 ( 1.514 -1.691 3.467) 4.144 6.128 ( 3.201 0.715 8.190) 8.823 6.150 ( 4.515 -1.438 12.550) 13.415 6.479 ( -0.225 2.624 2.418) 3.575 6.524 ( 0.919 -2.474 2.126) 3.389 6.583 ( 2.145 1.070 -0.453) 2.439 6.600 ( 2.083 -0.841 -1.170) 2.532 6.676 ( 3.539 2.453 -2.219) 4.844 6.696 ( 1.822 0.530 -2.527) 3.160 6.800 ( 2.575 2.759 -2.196) 4.366 6.837 ( 2.417 -1.116 -3.872) 4.699 6.937 ( 3.866 3.837 -1.609) 5.680 6.962 ( 3.280 2.608 -5.201) 6.679 7.020 ( -0.891 -3.123 -1.185) 3.457 7.045 ( -0.953 -4.018 0.671) 4.183 7.138 ( 0.363 0.627 1.775) 1.918 7.164 ( -0.501 -2.040 3.078) 3.726 7.469 ( -3.729 1.496 6.141) 7.338 7.507 ( -4.463 -1.528 6.840) 8.309 7.542 ( -1.947 7.588 -4.489) 9.029 7.649 ( -7.382 -3.341 -1.810) 8.303 7.681 ( -7.415 1.173 -1.903) 7.744 7.722 ( -9.683 -2.320 -8.263) 12.940 7.906 ( -7.374 -1.355 -9.813) 12.349 7.927 ( -7.102 -4.665 -9.650) 12.858 8.289 ( -2.254 3.098 -2.591) 4.625 8.323 ( -3.437 -0.805 -1.879) 3.999 8.379 ( -3.407 0.933 -3.251) 4.801 8.390 ( -4.399 -0.237 -5.365) 6.942 ======================= Grid point 93 (39/50) ======================= q-point: ( 0.38 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 3.731 2.108 3.787) 5.719 1.001 ( 2.174 -1.346 1.760) 3.104 1.045 ( 0.037 1.356 2.476) 2.824 1.076 ( -1.216 -1.854 1.932) 2.940 1.582 ( 7.943 1.887 7.454) 11.055 1.610 ( 6.246 -1.066 6.454) 9.045 1.742 ( 4.876 0.096 3.603) 6.064 1.756 ( 3.801 -1.457 3.018) 5.067 1.946 ( 7.351 2.535 7.028) 10.481 1.996 ( 4.998 -2.926 6.564) 8.754 2.096 ( 1.692 4.045 2.176) 4.895 2.150 ( 2.264 1.021 3.215) 4.063 2.185 ( 4.210 -1.397 4.909) 6.616 2.234 ( -0.929 -3.516 1.945) 4.124 2.296 ( 0.740 0.597 2.892) 3.045 2.301 ( 3.587 0.841 -1.065) 3.835 2.378 ( 4.150 3.907 7.933) 9.768 2.423 ( 5.175 0.513 1.077) 5.311 2.458 ( 6.839 -4.552 4.964) 9.598 2.504 ( 4.998 -4.332 -1.377) 6.755 2.569 ( 0.605 1.787 2.869) 3.434 2.619 ( 4.396 1.585 3.659) 5.935 2.666 ( 1.776 -0.804 1.402) 2.401 2.715 ( -1.645 -3.228 -0.510) 3.659 2.738 ( 0.105 0.153 0.716) 0.740 2.756 ( 0.748 -1.633 0.289) 1.820 2.863 ( 1.314 3.000 -1.760) 3.718 2.870 ( -1.757 1.746 0.616) 2.552 2.885 ( 2.423 3.652 -3.575) 5.655 2.914 ( -5.251 -0.741 -2.351) 5.801 2.954 ( 3.737 1.275 1.086) 4.095 3.012 ( 0.602 -2.538 -0.004) 2.608 3.044 ( -0.881 0.741 -3.474) 3.660 3.053 ( -3.374 -0.093 -2.048) 3.948 3.058 ( -2.645 -0.620 -1.660) 3.184 3.068 ( -2.083 -1.734 -1.396) 3.049 3.107 ( -6.485 3.043 -0.090) 7.164 3.155 ( -5.948 -2.130 -2.120) 6.664 3.267 ( -5.272 1.537 -2.442) 6.010 3.290 ( -5.951 -1.150 -3.140) 6.826 3.366 ( 2.240 1.873 -1.408) 3.242 3.396 ( 0.925 -1.269 -3.629) 3.954 3.470 ( 2.663 1.211 1.145) 3.142 3.496 ( 0.625 -1.355 0.583) 1.602 3.519 ( -3.107 0.562 -3.074) 4.407 3.534 ( -3.707 -1.121 -3.171) 5.005 3.582 ( -2.079 1.350 -1.487) 2.891 3.604 ( -2.693 -0.980 -2.194) 3.609 4.346 ( 4.668 0.376 5.112) 6.933 4.365 ( 5.750 -1.792 6.218) 8.657 4.512 ( -2.250 -0.164 0.073) 2.257 4.520 ( -0.372 -0.827 -0.946) 1.310 4.548 ( 2.387 1.683 2.742) 4.006 4.574 ( 4.108 -0.795 3.274) 5.313 4.604 ( 0.638 1.290 0.592) 1.556 4.616 ( 1.960 -0.110 -0.120) 1.967 5.842 ( 1.069 0.661 1.487) 1.947 5.854 ( 0.830 -0.644 1.465) 1.803 5.909 ( -0.954 0.629 1.842) 2.168 5.921 ( -0.501 -0.516 1.097) 1.312 5.927 ( 1.530 0.605 0.420) 1.698 5.939 ( 0.370 -0.057 0.375) 0.530 5.954 ( 1.379 -1.068 0.890) 1.958 5.974 ( 0.377 -2.365 -0.499) 2.446 6.114 ( 10.668 1.332 11.425) 15.688 6.137 ( 12.756 -1.278 9.422) 15.910 6.187 ( 7.609 1.253 7.262) 10.593 6.212 ( 6.583 -1.142 7.649) 10.156 6.242 ( 7.606 2.311 10.632) 13.276 6.281 ( 9.017 -1.836 10.954) 14.306 6.488 ( 1.503 3.457 0.599) 3.818 6.541 ( 0.943 -1.777 0.560) 2.088 6.599 ( -1.066 0.340 -0.002) 1.119 6.612 ( -0.038 -0.691 -0.475) 0.839 6.744 ( 3.271 4.555 0.442) 5.625 6.777 ( 4.571 1.350 -1.580) 5.021 6.820 ( -2.678 -0.013 -2.093) 3.398 6.846 ( -4.314 -1.289 -4.256) 6.196 6.927 ( -4.595 0.568 -0.761) 4.692 6.957 ( -2.903 -2.328 -0.666) 3.780 7.032 ( 2.284 0.223 3.904) 4.528 7.045 ( 2.398 -1.064 4.485) 5.196 7.143 ( -1.176 0.610 4.428) 4.622 7.165 ( 2.100 -1.886 0.602) 2.886 7.437 ( -1.914 2.585 -2.308) 3.959 7.463 ( 1.381 0.308 -1.999) 2.449 7.489 ( -3.277 2.934 -2.986) 5.316 7.505 ( -4.528 0.108 -8.624) 9.741 7.518 ( -6.368 0.918 -8.218) 10.437 7.578 ( -3.389 -4.349 -3.490) 6.526 7.742 ( -8.163 -0.982 -9.624) 12.658 7.762 ( -8.511 -2.984 -8.794) 12.597 8.254 ( -1.292 1.256 -1.518) 2.356 8.267 ( -1.242 -0.182 -1.777) 2.176 8.301 ( -3.659 1.028 -3.403) 5.102 8.315 ( -2.810 -0.478 -2.810) 4.003 ======================= Grid point 94 (40/50) ======================= q-point: (-0.50 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( -0.853 0.807 2.312) 2.593 1.031 ( 0.853 0.807 2.312) 2.593 1.045 ( -1.062 -0.688 2.391) 2.706 1.045 ( 1.062 -0.688 2.391) 2.706 1.715 ( -2.133 1.090 5.070) 5.608 1.715 ( 2.133 1.090 5.070) 5.607 1.737 ( -2.120 -1.225 4.086) 4.764 1.737 ( 2.120 -1.225 4.086) 4.764 2.092 ( -3.884 2.763 4.194) 6.349 2.092 ( 3.884 2.763 4.194) 6.349 2.134 ( -5.733 -1.962 4.764) 7.708 2.134 ( 5.733 -1.962 4.764) 7.708 2.203 ( -4.056 3.389 5.813) 7.857 2.203 ( 4.056 3.389 5.813) 7.857 2.287 ( -4.067 -5.887 4.550) 8.479 2.287 ( 4.067 -5.887 4.550) 8.479 2.495 ( -5.463 5.520 -0.043) 7.766 2.495 ( 5.463 5.520 -0.043) 7.766 2.567 ( -6.325 -1.188 2.242) 6.815 2.567 ( 6.325 -1.188 2.242) 6.815 2.632 ( -5.004 -1.057 1.871) 5.446 2.632 ( 5.004 -1.057 1.871) 5.446 2.682 ( -3.961 -4.798 1.683) 6.445 2.682 ( 3.961 -4.798 1.683) 6.445 2.739 ( -3.282 3.035 2.850) 5.302 2.739 ( 3.282 3.035 2.850) 5.302 2.803 ( -1.559 -4.182 -0.694) 4.516 2.803 ( 1.559 -4.182 -0.694) 4.516 2.945 ( -4.151 2.979 -1.937) 5.465 2.945 ( 4.151 2.979 -1.937) 5.465 2.969 ( -4.726 0.592 -2.045) 5.183 2.969 ( 4.726 0.592 -2.045) 5.183 3.014 ( -1.831 3.355 -1.645) 4.161 3.014 ( 1.831 3.355 -1.645) 4.161 3.061 ( -2.589 -2.209 -3.553) 4.920 3.061 ( 2.589 -2.209 -3.553) 4.920 3.128 ( -5.844 0.741 -5.266) 7.901 3.128 ( 5.844 0.741 -5.266) 7.901 3.141 ( -5.927 -0.519 -5.496) 8.100 3.141 ( 5.927 -0.519 -5.496) 8.100 3.443 ( -3.254 0.320 -2.234) 3.960 3.443 ( 3.254 0.320 -2.234) 3.960 3.452 ( -2.862 -0.518 -2.276) 3.693 3.452 ( 2.862 -0.518 -2.276) 3.693 3.533 ( -1.112 0.652 0.878) 1.560 3.533 ( 1.112 0.652 0.878) 1.559 3.546 ( -1.993 -0.666 -0.019) 2.101 3.546 ( 1.993 -0.666 -0.019) 2.101 4.439 ( -4.235 0.699 3.528) 5.556 4.439 ( 4.235 0.699 3.528) 5.556 4.468 ( -4.012 -2.791 3.582) 6.059 4.468 ( 4.012 -2.791 3.582) 6.059 4.596 ( -1.476 2.859 1.817) 3.695 4.596 ( 1.476 2.859 1.817) 3.695 4.629 ( -0.946 -1.042 1.809) 2.292 4.629 ( 0.946 -1.042 1.809) 2.292 5.870 ( -1.374 0.608 1.158) 1.897 5.870 ( 1.374 0.608 1.158) 1.897 5.884 ( -1.421 -0.818 1.001) 1.921 5.884 ( 1.421 -0.818 1.001) 1.921 5.947 ( -0.281 0.827 0.188) 0.893 5.947 ( 0.281 0.827 0.188) 0.893 5.973 ( -0.512 -2.058 0.078) 2.122 5.973 ( 0.512 -2.058 0.078) 2.122 6.228 ( -2.375 1.926 14.824) 15.136 6.228 ( 2.375 1.926 14.824) 15.136 6.261 ( -1.784 -1.735 13.655) 13.880 6.261 ( 1.784 -1.735 13.655) 13.880 6.496 ( -8.428 2.103 1.199) 8.769 6.496 ( 8.428 2.103 1.199) 8.769 6.519 ( -4.316 -0.329 0.387) 4.345 6.519 ( 4.316 -0.329 0.387) 4.345 6.611 ( -10.951 2.244 2.547) 11.465 6.611 ( 10.951 2.244 2.547) 11.465 6.660 ( -6.963 -2.936 1.045) 7.629 6.660 ( 6.963 -2.936 1.045) 7.629 6.825 ( -2.706 4.534 1.036) 5.381 6.825 ( 2.706 4.534 1.036) 5.381 6.901 ( -2.937 -3.504 -0.735) 4.631 6.901 ( 2.937 -3.504 -0.735) 4.631 7.097 ( -3.447 1.479 3.548) 5.163 7.097 ( 3.447 1.479 3.548) 5.163 7.142 ( -5.267 -3.693 2.935) 7.071 7.142 ( 5.267 -3.693 2.935) 7.071 7.394 ( -2.546 6.307 -7.084) 9.820 7.394 ( 2.546 6.307 -7.084) 9.820 7.476 ( -0.504 -2.114 -10.714) 10.932 7.476 ( 0.504 -2.114 -10.714) 10.932 7.579 ( -7.346 -0.110 -6.917) 10.091 7.579 ( 7.346 -0.110 -6.917) 10.090 7.607 ( -5.592 -3.425 -5.731) 8.709 7.607 ( 5.592 -3.425 -5.731) 8.709 8.249 ( -1.179 1.601 -1.570) 2.534 8.249 ( 1.179 1.601 -1.570) 2.534 8.272 ( -1.310 -0.873 -2.498) 2.953 8.272 ( 1.310 -0.873 -2.498) 2.953 ======================= Grid point 108 (41/50) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.000 0.000 -0.259) 0.259 1.044 ( 0.000 0.000 0.259) 0.259 1.142 ( 0.000 0.000 -5.372) 5.372 1.142 ( 0.000 0.000 5.372) 5.372 1.181 ( 0.000 0.000 -4.964) 4.964 1.181 ( 0.000 0.000 4.964) 4.964 1.500 ( 0.000 0.000 -5.563) 5.563 1.500 ( 0.000 0.000 5.563) 5.563 1.776 ( 0.000 0.000 -9.905) 9.905 1.776 ( 0.000 0.000 9.905) 9.905 1.943 ( 0.000 0.000 -1.729) 1.729 1.943 ( 0.000 0.000 1.729) 1.729 1.978 ( 0.000 0.000 -6.600) 6.600 1.978 ( 0.000 0.000 6.600) 6.600 2.124 ( 0.000 0.000 -11.730) 11.730 2.124 ( 0.000 0.000 11.730) 11.730 2.215 ( 0.000 0.000 -2.037) 2.037 2.215 ( 0.000 0.000 2.037) 2.037 2.438 ( 0.000 0.000 -0.260) 0.260 2.438 ( 0.000 0.000 0.260) 0.260 2.475 ( 0.000 0.000 -0.046) 0.046 2.475 ( 0.000 0.000 0.046) 0.046 2.622 ( 0.000 0.000 -0.563) 0.563 2.622 ( 0.000 0.000 0.563) 0.563 2.788 ( 0.000 0.000 -3.269) 3.269 2.788 ( 0.000 0.000 3.269) 3.269 2.908 ( 0.000 0.000 -7.760) 7.760 2.908 ( 0.000 0.000 7.760) 7.760 2.965 ( 0.000 0.000 -3.353) 3.353 2.965 ( 0.000 0.000 3.353) 3.353 3.010 ( 0.000 0.000 -1.887) 1.887 3.010 ( 0.000 0.000 1.887) 1.887 3.062 ( 0.000 0.000 -7.715) 7.715 3.062 ( 0.000 0.000 7.715) 7.715 3.253 ( 0.000 0.000 -0.789) 0.789 3.253 ( 0.000 0.000 0.789) 0.789 3.283 ( 0.000 0.000 -7.706) 7.706 3.283 ( 0.000 0.000 7.706) 7.706 3.286 ( 0.000 0.000 -7.217) 7.217 3.286 ( 0.000 0.000 7.217) 7.217 3.513 ( 0.000 0.000 -0.627) 0.627 3.513 ( 0.000 0.000 0.627) 0.627 3.552 ( 0.000 0.000 -3.670) 3.670 3.552 ( 0.000 0.000 3.670) 3.670 3.818 ( 0.000 0.000 -5.081) 5.081 3.818 ( 0.000 0.000 5.081) 5.081 3.876 ( 0.000 0.000 -2.286) 2.286 3.876 ( 0.000 0.000 2.286) 2.286 4.220 ( 0.000 0.000 -7.882) 7.882 4.220 ( 0.000 0.000 7.882) 7.882 4.295 ( 0.000 0.000 -8.144) 8.144 4.295 ( 0.000 0.000 8.144) 8.144 4.333 ( 0.000 0.000 -8.307) 8.307 4.333 ( 0.000 0.000 8.307) 8.307 4.395 ( 0.000 0.000 -8.889) 8.889 4.395 ( 0.000 0.000 8.889) 8.889 5.470 ( 0.000 0.000 -5.592) 5.592 5.470 ( 0.000 0.000 5.592) 5.592 5.471 ( 0.000 0.000 -5.626) 5.626 5.471 ( 0.000 0.000 5.626) 5.626 5.809 ( 0.000 0.000 -0.512) 0.512 5.809 ( 0.000 0.000 0.512) 0.512 5.850 ( 0.000 0.000 -0.511) 0.511 5.850 ( 0.000 0.000 0.511) 0.511 6.011 ( 0.000 0.000 -1.919) 1.919 6.011 ( 0.000 0.000 1.919) 1.919 6.176 ( 0.000 0.000 -0.064) 0.064 6.176 ( 0.000 0.000 0.064) 0.064 6.394 ( 0.000 0.000 -19.826) 19.826 6.394 ( 0.000 0.000 19.826) 19.826 6.411 ( 0.000 0.000 -18.767) 18.767 6.411 ( 0.000 0.000 18.767) 18.767 6.527 ( 0.000 0.000 -1.261) 1.261 6.527 ( 0.000 0.000 1.261) 1.261 6.532 ( 0.000 0.000 -0.849) 0.849 6.532 ( 0.000 0.000 0.849) 0.849 6.634 ( 0.000 0.000 -1.022) 1.022 6.634 ( 0.000 0.000 1.022) 1.022 6.668 ( 0.000 0.000 -1.078) 1.078 6.668 ( 0.000 0.000 1.078) 1.078 7.157 ( 0.000 0.000 -0.301) 0.301 7.157 ( 0.000 0.000 0.301) 0.301 7.189 ( 0.000 0.000 -9.507) 9.507 7.189 ( 0.000 0.000 9.507) 9.507 7.500 ( 0.000 0.000 -14.002) 14.002 7.500 ( 0.000 0.000 14.002) 14.002 7.856 ( 0.000 0.000 -6.496) 6.496 7.856 ( 0.000 0.000 6.496) 6.496 7.875 ( 0.000 0.000 -5.416) 5.416 7.875 ( 0.000 0.000 5.416) 5.416 8.038 ( 0.000 0.000 -6.844) 6.844 8.038 ( 0.000 0.000 6.844) 6.844 8.290 ( 0.000 0.000 -6.754) 6.754 8.290 ( 0.000 0.000 6.754) 6.754 8.434 ( 0.000 0.000 -0.572) 0.572 8.434 ( 0.000 0.000 0.572) 0.572 ======================= Grid point 110 (42/50) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -2.187 0.000 -1.415) 2.604 1.016 ( -2.187 0.000 1.415) 2.604 1.130 ( -1.000 0.000 -5.265) 5.359 1.130 ( -1.000 0.000 5.265) 5.359 1.303 ( 10.529 0.000 -3.114) 10.979 1.303 ( 10.529 0.000 3.114) 10.979 1.539 ( 3.529 0.000 -4.469) 5.694 1.539 ( 3.529 0.000 4.469) 5.694 1.817 ( 3.141 0.000 -8.548) 9.107 1.817 ( 3.141 0.000 8.548) 9.107 1.969 ( 4.572 0.000 -2.347) 5.139 1.969 ( 4.572 0.000 2.347) 5.139 2.033 ( 4.281 0.000 -3.578) 5.580 2.033 ( 4.281 0.000 3.578) 5.580 2.202 ( 4.983 0.000 -9.552) 10.773 2.202 ( 4.983 0.000 9.552) 10.773 2.204 ( 0.716 0.000 -1.857) 1.991 2.204 ( 0.716 0.000 1.857) 1.991 2.435 ( 0.278 0.000 -2.601) 2.616 2.435 ( 0.278 0.000 2.601) 2.616 2.537 ( 4.258 0.000 -2.443) 4.909 2.537 ( 4.258 0.000 2.443) 4.909 2.598 ( -0.947 0.000 -1.520) 1.791 2.598 ( -0.947 0.000 1.520) 1.791 2.739 ( -3.563 0.000 -5.529) 6.577 2.739 ( -3.563 0.000 5.529) 6.577 2.912 ( -0.161 0.000 -6.035) 6.037 2.912 ( -0.161 0.000 6.035) 6.037 2.967 ( -0.971 0.000 -2.712) 2.880 2.967 ( -0.971 0.000 2.712) 2.880 2.981 ( -1.955 0.000 -0.436) 2.003 2.981 ( -1.955 0.000 0.436) 2.003 3.072 ( 1.454 0.000 -5.989) 6.163 3.072 ( 1.454 0.000 5.989) 6.163 3.217 ( -2.340 0.000 -1.304) 2.679 3.217 ( -2.340 0.000 1.304) 2.679 3.299 ( 0.712 0.000 -6.872) 6.909 3.299 ( 0.712 0.000 6.872) 6.909 3.337 ( 2.995 0.000 -5.047) 5.869 3.337 ( 2.995 0.000 5.047) 5.869 3.497 ( -1.820 0.000 -4.207) 4.584 3.497 ( -1.820 0.000 4.207) 4.584 3.499 ( -4.749 0.000 -4.649) 6.646 3.499 ( -4.749 0.000 4.649) 6.646 3.736 ( -9.308 0.000 -2.007) 9.522 3.736 ( -9.308 0.000 2.007) 9.522 3.736 ( -6.841 0.000 -2.619) 7.326 3.736 ( -6.841 0.000 2.619) 7.326 4.305 ( 4.532 0.000 -6.293) 7.755 4.305 ( 4.532 0.000 6.293) 7.755 4.313 ( 2.394 0.000 -5.936) 6.401 4.313 ( 2.394 0.000 5.936) 6.401 4.410 ( 6.149 0.000 -4.835) 7.822 4.410 ( 6.149 0.000 4.835) 7.822 4.431 ( 3.830 0.000 -7.106) 8.072 4.431 ( 3.830 0.000 7.106) 8.072 5.592 ( 10.904 0.000 -5.746) 12.326 5.592 ( 10.904 0.000 5.746) 12.326 5.593 ( 11.012 0.000 -5.531) 12.323 5.593 ( 11.012 0.000 5.531) 12.323 5.828 ( 1.672 0.000 -0.646) 1.793 5.828 ( 1.672 0.000 0.646) 1.793 5.861 ( 0.886 0.000 -0.900) 1.263 5.861 ( 0.886 0.000 0.900) 1.263 5.993 ( -1.413 0.000 -1.767) 2.262 5.993 ( -1.413 0.000 1.767) 2.262 6.160 ( -1.692 0.000 -0.323) 1.723 6.160 ( -1.692 0.000 0.323) 1.723 6.406 ( 1.058 0.000 -17.396) 17.428 6.406 ( 1.058 0.000 17.396) 17.428 6.440 ( 2.748 0.000 -17.514) 17.729 6.440 ( 2.748 0.000 17.514) 17.729 6.532 ( 1.886 0.000 -1.695) 2.536 6.532 ( 1.886 0.000 1.695) 2.536 6.535 ( 0.689 0.000 -1.038) 1.246 6.535 ( 0.689 0.000 1.038) 1.246 6.670 ( 0.272 0.000 -1.510) 1.534 6.670 ( 0.272 0.000 1.510) 1.534 6.723 ( 6.623 0.000 -0.924) 6.687 6.723 ( 6.623 0.000 0.924) 6.687 7.153 ( -0.411 0.000 -0.387) 0.564 7.153 ( -0.411 0.000 0.387) 0.564 7.195 ( 0.568 0.000 -9.985) 10.002 7.195 ( 0.568 0.000 9.985) 10.002 7.470 ( -2.806 0.000 -13.156) 13.452 7.470 ( -2.806 0.000 13.156) 13.452 7.801 ( -5.318 0.000 -5.960) 7.988 7.801 ( -5.318 0.000 5.960) 7.988 7.824 ( -4.807 0.000 -6.309) 7.931 7.824 ( -4.807 0.000 6.309) 7.931 7.978 ( -5.631 0.000 -6.896) 8.903 7.978 ( -5.631 0.000 6.896) 8.903 8.277 ( -1.112 0.000 -5.772) 5.878 8.277 ( -1.112 0.000 5.772) 5.878 8.408 ( -2.350 0.000 -0.281) 2.366 8.408 ( -2.350 0.000 0.281) 2.366 ======================= Grid point 112 (43/50) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -0.036 0.000 -2.257) 2.257 0.987 ( -0.036 0.000 2.257) 2.257 1.108 ( -0.981 0.000 -3.662) 3.791 1.108 ( -0.981 0.000 3.662) 3.791 1.531 ( 9.469 0.000 -4.342) 10.417 1.531 ( 9.469 0.000 4.342) 10.417 1.644 ( 7.089 0.000 -3.732) 8.011 1.644 ( 7.089 0.000 3.732) 8.011 1.904 ( 5.572 0.000 -5.572) 7.880 1.904 ( 5.572 0.000 5.572) 7.880 2.094 ( 1.776 0.000 -3.744) 4.143 2.094 ( 1.776 0.000 3.744) 4.143 2.129 ( 9.509 0.000 -4.573) 10.552 2.129 ( 9.509 0.000 4.573) 10.552 2.258 ( 0.593 0.000 -2.354) 2.428 2.258 ( 0.593 0.000 2.354) 2.428 2.312 ( 8.906 0.000 -2.878) 9.360 2.312 ( 8.906 0.000 2.878) 9.360 2.481 ( 4.210 0.000 -10.206) 11.041 2.481 ( 4.210 0.000 10.206) 11.041 2.547 ( 0.034 0.000 -0.974) 0.974 2.547 ( 0.034 0.000 0.974) 0.974 2.675 ( -2.414 0.000 -5.815) 6.297 2.675 ( -2.414 0.000 5.815) 6.297 2.685 ( 6.293 0.000 -2.498) 6.771 2.685 ( 6.293 0.000 2.498) 6.771 2.875 ( -2.903 0.000 -0.652) 2.976 2.875 ( -2.903 0.000 0.652) 2.976 2.916 ( -3.532 0.000 -3.595) 5.039 2.916 ( -3.532 0.000 3.595) 5.039 2.969 ( 0.479 0.000 -5.968) 5.987 2.969 ( 0.479 0.000 5.968) 5.987 3.089 ( -1.608 0.000 -1.242) 2.032 3.089 ( -1.608 0.000 1.242) 2.032 3.151 ( -4.247 0.000 -2.336) 4.848 3.151 ( -4.247 0.000 2.336) 4.848 3.288 ( -1.680 0.000 -3.055) 3.486 3.288 ( -1.680 0.000 3.055) 3.486 3.346 ( -4.533 0.000 -5.190) 6.891 3.346 ( -4.533 0.000 5.190) 6.891 3.384 ( -5.621 0.000 -4.869) 7.436 3.384 ( -5.621 0.000 4.869) 7.436 3.457 ( 0.270 0.000 -5.802) 5.809 3.457 ( 0.270 0.000 5.802) 5.809 3.590 ( -6.135 0.000 -1.532) 6.323 3.590 ( -6.135 0.000 1.532) 6.323 3.602 ( -3.087 0.000 -3.095) 4.372 3.602 ( -3.087 0.000 3.095) 4.372 4.380 ( 3.409 0.000 -6.435) 7.282 4.380 ( 3.409 0.000 6.435) 7.282 4.400 ( 5.818 0.000 -6.535) 8.750 4.400 ( 5.818 0.000 6.535) 8.750 4.511 ( 2.764 0.000 -3.198) 4.227 4.511 ( 2.764 0.000 3.198) 4.227 4.541 ( 5.823 0.000 -2.116) 6.196 4.541 ( 5.823 0.000 2.116) 6.196 5.836 ( 6.751 0.000 -3.164) 7.456 5.836 ( 6.751 0.000 3.164) 7.456 5.871 ( 3.962 0.000 -1.200) 4.139 5.871 ( 3.962 0.000 1.200) 4.139 5.881 ( 16.005 0.000 -4.530) 16.633 5.881 ( 16.005 0.000 4.530) 16.633 5.893 ( 4.045 0.000 -0.817) 4.126 5.893 ( 4.045 0.000 0.817) 4.126 5.968 ( -0.972 0.000 -1.160) 1.514 5.968 ( -0.972 0.000 1.160) 1.514 6.130 ( 0.688 0.000 -1.154) 1.343 6.130 ( 0.688 0.000 1.154) 1.343 6.429 ( 1.030 0.000 -11.097) 11.144 6.429 ( 1.030 0.000 11.097) 11.144 6.518 ( 4.479 0.000 -16.542) 17.138 6.518 ( 4.479 0.000 16.542) 17.138 6.549 ( 0.506 0.000 -1.477) 1.561 6.549 ( 0.506 0.000 1.477) 1.561 6.617 ( 5.742 0.000 -2.792) 6.385 6.617 ( 5.742 0.000 2.792) 6.385 6.682 ( 0.780 0.000 -4.421) 4.490 6.682 ( 0.780 0.000 4.421) 4.490 6.864 ( 6.350 0.000 -1.938) 6.639 6.864 ( 6.350 0.000 1.938) 6.639 7.137 ( -1.170 0.000 -1.432) 1.849 7.137 ( -1.170 0.000 1.432) 1.849 7.211 ( 0.934 0.000 -10.981) 11.021 7.211 ( 0.934 0.000 10.981) 11.021 7.394 ( -4.409 0.000 -11.053) 11.900 7.394 ( -4.409 0.000 11.053) 11.900 7.646 ( -9.368 0.000 -4.382) 10.343 7.646 ( -9.368 0.000 4.382) 10.343 7.692 ( -7.444 0.000 -8.391) 11.216 7.692 ( -7.443 0.000 8.391) 11.216 7.826 ( -8.548 0.000 -6.638) 10.823 7.826 ( -8.548 0.000 6.638) 10.823 8.250 ( -1.386 0.000 -3.415) 3.686 8.250 ( -1.386 0.000 3.415) 3.686 8.346 ( -3.433 0.000 -0.584) 3.482 8.346 ( -3.433 0.000 0.584) 3.482 ======================= Grid point 114 (44/50) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 2.475 0.000 -1.320) 2.806 1.016 ( 2.475 0.000 1.320) 2.806 1.095 ( -0.412 0.000 -2.032) 2.073 1.095 ( -0.412 0.000 2.032) 2.074 1.675 ( 5.698 0.000 -1.560) 5.908 1.675 ( 5.698 0.000 1.560) 5.908 1.783 ( 3.811 0.000 -0.827) 3.900 1.783 ( 3.811 0.000 0.827) 3.900 2.031 ( 5.937 0.000 -3.537) 6.911 2.031 ( 5.937 0.000 3.537) 6.911 2.159 ( 5.648 0.000 -6.907) 8.922 2.159 ( 5.648 0.000 6.907) 8.922 2.235 ( -0.533 0.000 -3.215) 3.259 2.235 ( -0.533 0.000 3.215) 3.259 2.331 ( 7.265 0.000 -6.433) 9.704 2.331 ( 7.265 0.000 6.433) 9.704 2.423 ( -1.177 0.000 -5.716) 5.836 2.423 ( -1.177 0.000 5.716) 5.836 2.580 ( 3.987 0.000 -8.764) 9.628 2.580 ( 3.987 0.000 8.764) 9.628 2.639 ( 9.488 0.000 -3.981) 10.290 2.639 ( 9.488 0.000 3.981) 10.290 2.648 ( 0.995 0.000 -1.628) 1.908 2.648 ( 0.995 0.000 1.628) 1.908 2.795 ( 3.327 0.000 -4.750) 5.799 2.795 ( 3.327 0.000 4.750) 5.799 2.830 ( -0.262 0.000 -1.986) 2.003 2.830 ( -0.262 0.000 1.986) 2.003 2.835 ( -4.070 0.000 -4.166) 5.824 2.835 ( -4.070 0.000 4.166) 5.824 2.978 ( 0.018 0.000 -3.157) 3.157 2.978 ( 0.018 0.000 3.157) 3.157 3.006 ( -4.443 0.000 -1.258) 4.617 3.006 ( -4.443 0.000 1.258) 4.617 3.054 ( -4.404 0.000 -3.028) 5.345 3.054 ( -4.404 0.000 3.028) 5.345 3.158 ( -9.868 0.000 -4.298) 10.763 3.158 ( -9.868 0.000 4.298) 10.763 3.197 ( -8.037 0.000 -4.280) 9.105 3.197 ( -8.037 0.000 4.280) 9.105 3.364 ( 2.642 0.000 -0.752) 2.747 3.364 ( 2.642 0.000 0.752) 2.747 3.498 ( 2.562 0.000 -1.584) 3.012 3.498 ( 2.562 0.000 1.584) 3.012 3.499 ( -3.317 0.000 -1.295) 3.561 3.499 ( -3.317 0.000 1.295) 3.561 3.572 ( -0.827 0.000 -1.433) 1.654 3.572 ( -0.827 0.000 1.433) 1.654 4.449 ( 3.100 0.000 -5.058) 5.932 4.449 ( 3.100 0.000 5.058) 5.932 4.529 ( 5.974 0.000 -5.267) 7.964 4.529 ( 5.974 0.000 5.267) 7.964 4.533 ( -0.452 0.000 -0.260) 0.521 4.533 ( -0.452 0.000 0.260) 0.521 4.627 ( 2.172 0.000 -0.605) 2.255 4.627 ( 2.172 0.000 0.605) 2.255 5.865 ( 0.657 0.000 -1.034) 1.225 5.865 ( 0.657 0.000 1.034) 1.225 5.922 ( 1.477 0.000 -0.434) 1.539 5.922 ( 1.477 0.000 0.434) 1.539 5.935 ( -1.730 0.000 -0.377) 1.771 5.935 ( -1.730 0.000 0.377) 1.771 5.987 ( 0.989 0.000 -0.627) 1.171 5.987 ( 0.989 0.000 0.627) 1.171 6.213 ( 15.301 0.000 -1.666) 15.391 6.213 ( 15.301 0.000 1.666) 15.391 6.285 ( 11.889 0.000 -1.749) 12.017 6.285 ( 11.890 0.000 1.749) 12.017 6.445 ( 0.579 0.000 -5.176) 5.208 6.445 ( 0.579 0.000 5.176) 5.208 6.548 ( -0.800 0.000 -1.476) 1.679 6.548 ( -0.800 0.000 1.476) 1.679 6.602 ( 2.997 0.000 -14.671) 14.974 6.602 ( 2.997 0.000 14.671) 14.974 6.688 ( -0.789 0.000 -7.290) 7.332 6.688 ( -0.789 0.000 7.290) 7.332 6.743 ( 5.969 0.000 -2.760) 6.576 6.743 ( 5.969 0.000 2.760) 6.576 6.945 ( 0.396 0.000 -1.967) 2.006 6.945 ( 0.396 0.000 1.967) 2.006 7.126 ( 1.153 0.000 -3.770) 3.942 7.126 ( 1.153 0.000 3.770) 3.942 7.234 ( 1.518 0.000 -10.982) 11.087 7.234 ( 1.518 0.000 10.982) 11.087 7.292 ( -5.464 0.000 -8.631) 10.215 7.292 ( -5.464 0.000 8.631) 10.215 7.442 ( -9.568 0.000 -1.142) 9.636 7.442 ( -9.568 0.000 1.142) 9.636 7.552 ( -5.207 0.000 -7.941) 9.496 7.552 ( -5.207 0.000 7.941) 9.496 7.656 ( -7.136 0.000 -4.540) 8.458 7.656 ( -7.136 0.000 4.540) 8.458 8.228 ( -0.603 0.000 -1.008) 1.174 8.228 ( -0.603 0.000 1.008) 1.174 8.279 ( -2.803 0.000 -1.279) 3.081 8.279 ( -2.803 0.000 1.279) 3.081 ======================= Grid point 116 (45/50) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.000 0.000 0.000) 0.000 1.057 ( 0.000 0.000 0.000) 0.000 1.083 ( -0.000 0.000 0.000) 0.000 1.083 ( 0.000 0.000 0.000) 0.000 1.767 ( -0.000 0.000 -0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 -0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 2.106 ( 0.000 0.000 0.000) 0.000 2.106 ( 0.000 0.000 0.000) 0.000 2.219 ( -0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.321 ( -0.000 0.000 -0.000) 0.000 2.321 ( -0.000 0.000 0.000) 0.000 2.417 ( 0.000 0.000 -0.000) 0.000 2.417 ( 0.000 0.000 0.000) 0.000 2.597 ( -0.000 0.000 -0.000) 0.000 2.597 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 -0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 2.768 ( -0.000 0.000 -0.000) 0.000 2.768 ( -0.000 0.000 0.000) 0.000 2.775 ( -0.000 0.000 0.000) 0.000 2.775 ( 0.000 0.000 0.000) 0.000 2.814 ( 0.000 0.000 0.000) 0.000 2.814 ( 0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 -0.000) 0.000 2.901 ( -0.000 0.000 0.000) 0.000 2.903 ( -0.000 0.000 -0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.980 ( -0.000 0.000 -0.000) 0.000 2.980 ( -0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 -0.000) 0.000 2.996 ( 0.000 0.000 0.000) 0.000 3.056 ( -0.000 0.000 -0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.060 ( -0.000 0.000 -0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.444 ( -0.000 0.000 0.000) 0.000 3.444 ( 0.000 0.000 0.000) 0.000 3.545 ( -0.000 0.000 0.000) 0.000 3.545 ( -0.000 0.000 0.000) 0.000 3.546 ( -0.000 0.000 -0.000) 0.000 3.546 ( 0.000 0.000 -0.000) 0.000 4.499 ( -0.000 0.000 -0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.508 ( -0.000 0.000 0.000) 0.000 4.508 ( 0.000 0.000 0.000) 0.000 4.614 ( -0.000 0.000 -0.000) 0.000 4.614 ( -0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 -0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 5.880 ( 0.000 0.000 0.000) 0.000 5.880 ( 0.000 0.000 0.000) 0.000 5.903 ( -0.000 0.000 -0.000) 0.000 5.903 ( 0.000 0.000 0.000) 0.000 5.941 ( 0.000 0.000 -0.000) 0.000 5.941 ( 0.000 0.000 0.000) 0.000 5.993 ( 0.000 0.000 0.000) 0.000 5.993 ( 0.000 0.000 0.000) 0.000 6.422 ( 0.000 0.000 -0.000) 0.000 6.422 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 -0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.484 ( -0.000 0.000 0.000) 0.000 6.484 ( -0.000 0.000 0.000) 0.000 6.488 ( 0.000 0.000 0.000) 0.000 6.488 ( 0.000 0.000 -0.000) 0.000 6.624 ( -0.000 0.000 0.000) 0.000 6.624 ( -0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 6.829 ( 0.000 0.000 0.000) 0.000 6.913 ( 0.000 0.000 0.000) 0.000 6.913 ( 0.000 0.000 0.000) 0.000 7.183 ( -0.000 0.000 -0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 7.189 ( 0.000 0.000 -0.000) 0.000 7.189 ( 0.000 0.000 0.000) 0.000 7.285 ( -0.000 0.000 -0.001) 0.001 7.285 ( -0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 -0.000) 0.000 7.296 ( 0.000 0.000 0.001) 0.001 7.501 ( 0.000 0.000 0.000) 0.000 7.501 ( 0.000 0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 7.572 ( -0.000 0.000 0.000) 0.000 8.226 ( 0.000 0.000 0.000) 0.000 8.226 ( 0.000 0.000 0.000) 0.000 8.244 ( -0.000 0.000 -0.000) 0.000 8.244 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 126 (46/50) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 0.000 0.001 -0.109) 0.109 1.044 ( 0.000 0.001 0.109) 0.109 1.123 ( 0.000 -0.846 -1.349) 1.592 1.123 ( 0.000 -0.846 1.349) 1.592 1.210 ( 0.000 1.645 -1.049) 1.951 1.210 ( 0.000 1.645 1.049) 1.951 1.470 ( 0.000 -1.963 -2.432) 3.125 1.470 ( 0.000 -1.963 2.432) 3.125 1.801 ( 0.000 1.429 -4.528) 4.748 1.801 ( 0.000 1.429 4.528) 4.748 1.920 ( 0.000 -1.521 -1.158) 1.912 1.920 ( 0.000 -1.521 1.158) 1.912 2.005 ( 0.000 2.120 -2.689) 3.425 2.005 ( 0.000 2.120 2.689) 3.425 2.102 ( 0.000 -0.772 -4.123) 4.195 2.102 ( 0.000 -0.772 4.123) 4.195 2.274 ( 0.000 2.681 -0.674) 2.765 2.274 ( 0.000 2.681 0.674) 2.765 2.362 ( 0.000 -2.313 -0.427) 2.352 2.362 ( 0.000 -2.313 0.427) 2.352 2.541 ( 0.000 1.256 -1.636) 2.062 2.541 ( 0.000 1.256 1.636) 2.062 2.581 ( 0.000 -1.826 -1.280) 2.230 2.581 ( 0.000 -1.826 1.280) 2.230 2.814 ( 0.000 1.689 -1.361) 2.169 2.814 ( 0.000 1.689 1.361) 2.169 2.892 ( 0.000 -0.089 -2.663) 2.664 2.892 ( 0.000 -0.089 2.663) 2.664 2.936 ( 0.000 -2.679 -2.070) 3.385 2.936 ( 0.000 -2.679 2.070) 3.385 2.991 ( 0.000 -1.010 -0.317) 1.058 2.991 ( 0.000 -1.010 0.317) 1.058 3.131 ( 0.000 5.167 -2.569) 5.771 3.131 ( 0.000 5.167 2.569) 5.771 3.224 ( 0.000 -3.328 -0.365) 3.348 3.224 ( 0.000 -3.328 0.365) 3.348 3.271 ( 0.000 1.061 -4.357) 4.484 3.271 ( 0.000 1.061 4.357) 4.484 3.306 ( 0.000 -0.389 -3.446) 3.468 3.306 ( 0.000 -0.389 3.446) 3.468 3.492 ( 0.000 -0.695 -0.838) 1.088 3.492 ( 0.000 -0.695 0.838) 1.088 3.575 ( 0.000 0.971 -1.416) 1.716 3.575 ( 0.000 0.971 1.416) 1.716 3.808 ( 0.000 -0.622 -2.613) 2.686 3.808 ( 0.000 -0.622 2.613) 2.686 3.868 ( 0.000 -0.608 -1.134) 1.287 3.868 ( 0.000 -0.608 1.134) 1.287 4.241 ( 0.000 1.972 -7.170) 7.437 4.241 ( 0.000 1.972 7.170) 7.437 4.282 ( 0.000 -1.427 -7.394) 7.530 4.282 ( 0.000 -1.427 7.394) 7.530 4.344 ( 0.000 1.125 -6.785) 6.877 4.344 ( 0.000 1.125 6.785) 6.877 4.382 ( 0.000 -1.126 -7.150) 7.238 4.382 ( 0.000 -1.126 7.150) 7.238 5.469 ( 0.000 -0.035 -1.701) 1.702 5.469 ( 0.000 -0.035 1.701) 1.702 5.472 ( 0.000 0.030 -1.719) 1.719 5.472 ( 0.000 0.030 1.719) 1.719 5.820 ( 0.000 0.914 -0.232) 0.943 5.820 ( 0.000 0.914 0.232) 0.943 5.846 ( 0.000 -0.422 -0.395) 0.578 5.846 ( 0.000 -0.422 0.395) 0.578 5.993 ( 0.000 -1.357 -1.114) 1.756 5.993 ( 0.000 -1.357 1.114) 1.756 6.170 ( 0.000 -0.352 -0.050) 0.355 6.170 ( 0.000 -0.352 0.050) 0.355 6.399 ( 0.000 0.483 -19.136) 19.142 6.399 ( 0.000 0.483 19.136) 19.142 6.407 ( 0.000 -0.387 -18.535) 18.539 6.407 ( 0.000 -0.387 18.535) 18.539 6.528 ( 0.000 0.122 -0.977) 0.984 6.528 ( 0.000 0.122 0.977) 0.984 6.531 ( 0.000 -0.089 -0.509) 0.517 6.531 ( 0.000 -0.089 0.509) 0.517 6.557 ( 0.000 -2.446 -0.914) 2.611 6.557 ( 0.000 -2.446 0.914) 2.611 6.835 ( 0.000 11.168 -0.903) 11.205 6.835 ( 0.000 11.168 0.903) 11.205 7.079 ( 0.000 -8.882 -2.011) 9.107 7.079 ( 0.000 -8.882 2.011) 9.107 7.163 ( 0.000 -0.531 -0.190) 0.564 7.163 ( 0.000 -0.531 0.190) 0.564 7.623 ( 0.000 11.917 -3.944) 12.553 7.623 ( 0.000 11.917 3.944) 12.553 7.820 ( 0.000 -6.738 -2.746) 7.277 7.820 ( 0.000 -6.738 2.746) 7.277 7.879 ( 0.000 0.205 -2.216) 2.226 7.879 ( 0.000 0.205 2.216) 2.226 7.932 ( 0.000 -6.137 -1.590) 6.340 7.932 ( 0.000 -6.137 1.590) 6.340 8.343 ( 0.000 3.148 -2.203) 3.842 8.343 ( 0.000 3.148 2.203) 3.842 8.430 ( 0.000 -0.392 -0.184) 0.433 8.430 ( 0.000 -0.392 0.184) 0.433 ======================= Grid point 128 (47/50) ======================= q-point: ( 0.12 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -2.122 0.039 -0.709) 2.237 1.016 ( -2.122 0.039 0.709) 2.237 1.134 ( -0.711 0.228 -2.672) 2.774 1.134 ( -0.711 0.228 2.672) 2.774 1.315 ( 10.738 0.915 -1.627) 10.899 1.315 ( 10.738 0.915 1.627) 10.899 1.510 ( 3.525 -2.010 -2.012) 4.529 1.510 ( 3.525 -2.010 2.012) 4.529 1.816 ( 2.377 -0.117 -3.617) 4.330 1.816 ( 2.377 -0.117 3.617) 4.330 1.946 ( 3.353 -1.181 -1.270) 3.775 1.946 ( 3.353 -1.181 1.270) 3.775 2.095 ( 6.234 5.136 -4.633) 9.312 2.095 ( 6.234 5.136 4.633) 9.312 2.164 ( 4.199 -1.737 -4.857) 6.651 2.164 ( 4.199 -1.737 4.857) 6.651 2.275 ( 1.547 3.847 -4.361) 6.018 2.275 ( 1.547 3.847 4.361) 6.018 2.354 ( 0.342 -5.380 -1.125) 5.508 2.354 ( 0.342 -5.380 1.125) 5.508 2.554 ( 0.200 -1.762 -2.258) 2.871 2.554 ( 0.200 -1.762 2.258) 2.871 2.599 ( 2.308 1.819 -1.448) 3.276 2.599 ( 2.308 1.819 1.448) 3.276 2.767 ( -3.457 2.174 -2.564) 4.822 2.767 ( -3.457 2.174 2.564) 4.822 2.882 ( -0.987 -0.671 -1.795) 2.156 2.882 ( -0.987 -0.671 1.795) 2.156 2.934 ( -0.592 -3.149 -1.680) 3.618 2.934 ( -0.592 -3.149 1.680) 3.618 2.993 ( 0.186 -0.107 -1.379) 1.395 2.993 ( 0.186 -0.107 1.379) 1.395 3.124 ( -0.380 4.830 -3.854) 6.191 3.124 ( -0.380 4.830 3.854) 6.191 3.220 ( -1.562 -1.112 -1.132) 2.227 3.220 ( -1.562 -1.112 1.132) 2.227 3.275 ( 0.160 -0.630 -2.989) 3.059 3.275 ( 0.160 -0.630 2.989) 3.059 3.330 ( 2.013 -1.617 -0.269) 2.596 3.330 ( 2.013 -1.617 0.269) 2.596 3.460 ( -2.619 -0.476 -0.371) 2.687 3.460 ( -2.619 -0.476 0.371) 2.687 3.547 ( -2.798 1.626 -0.737) 3.319 3.547 ( -2.798 1.626 0.737) 3.319 3.708 ( -7.887 -1.192 -0.383) 7.986 3.708 ( -7.887 -1.192 0.383) 7.986 3.754 ( -8.184 0.430 -0.510) 8.211 3.754 ( -8.184 0.430 0.510) 8.211 4.306 ( 3.379 0.279 -4.612) 5.724 4.306 ( 3.379 0.279 4.612) 5.724 4.316 ( 2.869 0.013 -4.596) 5.418 4.316 ( 2.869 0.013 4.596) 5.418 4.406 ( 5.563 -0.216 -2.584) 6.138 4.406 ( 5.563 -0.216 2.583) 6.138 4.432 ( 4.885 -0.008 -3.365) 5.932 4.432 ( 4.885 -0.008 3.365) 5.932 5.591 ( 10.992 -0.043 -0.496) 11.003 5.591 ( 10.992 -0.043 0.497) 11.003 5.594 ( 10.944 0.064 -0.434) 10.952 5.594 ( 10.944 0.064 0.433) 10.952 5.838 ( 1.557 0.756 -0.433) 1.784 5.838 ( 1.557 0.756 0.433) 1.784 5.860 ( 1.219 -0.048 -0.825) 1.473 5.860 ( 1.219 -0.048 0.825) 1.473 5.977 ( -1.202 -1.283 -1.122) 2.085 5.977 ( -1.202 -1.283 1.122) 2.085 6.143 ( -2.533 -1.056 -0.206) 2.752 6.143 ( -2.533 -1.056 0.206) 2.752 6.418 ( 1.881 1.008 -16.747) 16.883 6.418 ( 1.881 1.008 16.747) 16.883 6.435 ( 2.561 -0.620 -16.736) 16.942 6.435 ( 2.561 -0.620 16.736) 16.942 6.528 ( 1.163 -0.114 -0.654) 1.340 6.528 ( 1.163 -0.114 0.654) 1.340 6.542 ( 1.520 0.435 -0.339) 1.617 6.542 ( 1.520 0.435 0.339) 1.617 6.622 ( 4.079 -1.782 -0.444) 4.473 6.622 ( 4.079 -1.782 0.444) 4.473 6.857 ( 2.287 10.260 -0.360) 10.518 6.857 ( 2.287 10.260 0.360) 10.518 7.073 ( -0.466 -8.851 -1.862) 9.057 7.073 ( -0.466 -8.851 1.862) 9.057 7.169 ( 0.541 -0.621 -0.969) 1.272 7.169 ( 0.541 -0.621 0.969) 1.272 7.591 ( -3.064 11.429 -3.498) 12.339 7.591 ( -3.064 11.429 3.498) 12.339 7.776 ( -4.235 -5.464 -1.831) 7.151 7.776 ( -4.235 -5.464 1.831) 7.151 7.820 ( -5.586 -0.576 -1.991) 5.958 7.820 ( -5.586 -0.576 1.991) 5.958 7.881 ( -4.704 -5.709 -0.737) 7.434 7.881 ( -4.704 -5.709 0.737) 7.434 8.324 ( -1.754 2.937 -2.169) 4.051 8.324 ( -1.754 2.937 2.169) 4.051 8.403 ( -2.472 -0.546 -0.081) 2.533 8.403 ( -2.472 -0.546 0.081) 2.533 ======================= Grid point 130 (48/50) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 0.030 0.140 -1.127) 1.136 0.989 ( 0.030 0.140 1.127) 1.136 1.108 ( -1.213 0.027 -1.832) 2.198 1.108 ( -1.213 0.027 1.832) 2.198 1.557 ( 8.761 2.841 -3.734) 9.938 1.557 ( 8.761 2.841 3.734) 9.938 1.614 ( 8.371 -3.084 -3.278) 9.504 1.614 ( 8.371 -3.084 3.278) 9.504 1.916 ( 6.999 0.992 -3.364) 7.829 1.916 ( 6.999 0.992 3.364) 7.829 2.055 ( 6.099 -2.616 -3.058) 7.307 2.055 ( 6.099 -2.616 3.058) 7.307 2.154 ( 2.129 2.159 -1.437) 3.355 2.154 ( 2.129 2.159 1.437) 3.355 2.240 ( 0.760 -1.333 -0.386) 1.583 2.240 ( 0.760 -1.333 0.386) 1.583 2.366 ( 8.127 3.289 -3.078) 9.292 2.366 ( 8.127 3.289 3.078) 9.292 2.442 ( 6.639 -2.062 -6.833) 9.747 2.442 ( 6.639 -2.062 6.833) 9.747 2.547 ( -0.186 -0.356 -1.972) 2.012 2.547 ( -0.186 -0.356 1.972) 2.012 2.663 ( 3.198 -1.994 -1.463) 4.042 2.663 ( 3.198 -1.994 1.463) 4.042 2.714 ( -1.218 2.653 -1.454) 3.261 2.714 ( -1.218 2.653 1.454) 3.261 2.856 ( -1.187 0.414 -1.687) 2.104 2.856 ( -1.187 0.414 1.687) 2.104 2.901 ( -2.633 -2.656 -1.476) 4.021 2.901 ( -2.633 -2.656 1.476) 4.021 2.997 ( 0.110 1.627 -2.967) 3.386 2.997 ( 0.110 1.627 2.967) 3.386 3.097 ( -3.075 1.911 -1.730) 4.013 3.097 ( -3.075 1.911 1.730) 4.013 3.149 ( -4.745 -1.310 -2.156) 5.374 3.149 ( -4.745 -1.310 2.156) 5.374 3.289 ( -0.571 0.374 -1.861) 1.983 3.289 ( -0.571 0.374 1.861) 1.983 3.312 ( -2.971 -2.029 -2.130) 4.181 3.312 ( -2.971 -2.029 2.130) 4.181 3.418 ( -6.837 2.182 -2.468) 7.589 3.418 ( -6.837 2.182 2.468) 7.589 3.453 ( -0.350 -0.724 -4.001) 4.081 3.453 ( -0.350 -0.724 4.001) 4.081 3.588 ( -3.519 0.059 -1.351) 3.770 3.588 ( -3.519 0.059 1.351) 3.770 3.600 ( -5.151 -0.324 -2.122) 5.580 3.600 ( -5.151 -0.324 2.122) 5.580 4.379 ( 3.748 0.045 -5.872) 6.966 4.379 ( 3.748 0.045 5.872) 6.966 4.390 ( 4.375 -0.851 -5.989) 7.465 4.390 ( 4.375 -0.851 5.989) 7.466 4.519 ( 4.466 0.585 -1.795) 4.849 4.519 ( 4.466 0.585 1.795) 4.849 4.543 ( 5.104 0.089 -1.325) 5.274 4.543 ( 5.104 0.089 1.325) 5.274 5.840 ( 6.432 0.360 -2.223) 6.815 5.840 ( 6.432 0.360 2.223) 6.815 5.858 ( 10.191 -0.726 -1.243) 10.292 5.858 ( 10.191 -0.726 1.243) 10.293 5.887 ( 6.498 0.526 -1.876) 6.784 5.887 ( 6.498 0.526 1.876) 6.784 5.900 ( 5.234 0.149 -1.164) 5.363 5.900 ( 5.234 0.149 1.164) 5.363 5.969 ( 2.081 0.191 -1.079) 2.351 5.969 ( 2.080 0.191 1.079) 2.351 6.097 ( 0.110 -2.275 -0.882) 2.443 6.097 ( 0.110 -2.275 0.882) 2.443 6.460 ( 1.690 2.554 -11.768) 12.160 6.460 ( 1.690 2.554 11.768) 12.160 6.501 ( 3.342 -1.527 -13.814) 14.294 6.501 ( 3.342 -1.527 13.814) 14.294 6.564 ( 2.144 1.025 -0.626) 2.458 6.564 ( 2.144 1.025 0.626) 2.458 6.601 ( 3.929 -1.140 -1.461) 4.344 6.601 ( 3.929 -1.140 1.461) 4.344 6.698 ( 3.319 0.907 -1.528) 3.765 6.698 ( 3.319 0.907 1.528) 3.765 6.924 ( 3.463 6.815 -1.336) 7.760 6.924 ( 3.463 6.815 1.336) 7.760 7.064 ( -0.054 -7.956 -1.534) 8.102 7.064 ( -0.054 -7.956 1.534) 8.102 7.182 ( 0.559 -0.913 -2.053) 2.316 7.182 ( 0.559 -0.913 2.053) 2.316 7.503 ( -5.403 9.430 -2.909) 11.250 7.503 ( -5.403 9.430 2.909) 11.250 7.645 ( -8.986 -0.629 -2.418) 9.327 7.645 ( -8.986 -0.630 2.418) 9.327 7.673 ( -7.222 -3.374 -3.891) 8.871 7.673 ( -7.222 -3.374 3.891) 8.871 7.754 ( -7.203 -4.820 -2.748) 9.093 7.754 ( -7.203 -4.820 2.748) 9.093 8.280 ( -2.202 2.211 -1.732) 3.569 8.280 ( -2.202 2.211 1.732) 3.569 8.339 ( -3.434 -0.714 -0.565) 3.552 8.339 ( -3.434 -0.714 0.565) 3.552 ======================= Grid point 132 (49/50) ======================= q-point: ( 0.38 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 2.553 0.263 -0.670) 2.652 1.020 ( 2.553 0.263 0.670) 2.652 1.092 ( -0.494 -0.211 -1.042) 1.173 1.092 ( -0.494 -0.211 1.042) 1.173 1.679 ( 5.273 0.253 -0.792) 5.338 1.679 ( 5.273 0.253 0.792) 5.338 1.779 ( 4.166 -0.286 -0.412) 4.197 1.779 ( 4.166 -0.286 0.412) 4.197 2.068 ( 6.300 3.749 -3.507) 8.127 2.068 ( 6.300 3.749 3.507) 8.127 2.139 ( 3.971 -2.330 -5.093) 6.866 2.139 ( 3.971 -2.330 5.093) 6.866 2.244 ( 1.200 0.698 -1.292) 1.896 2.244 ( 1.200 0.698 1.292) 1.896 2.287 ( 7.601 -3.008 -3.808) 9.018 2.287 ( 7.601 -3.008 3.808) 9.018 2.465 ( -0.917 3.353 -4.228) 5.473 2.465 ( -0.917 3.353 4.228) 5.473 2.541 ( 4.064 -3.907 -0.778) 5.691 2.541 ( 4.064 -3.907 0.778) 5.691 2.613 ( 4.933 2.142 -6.752) 8.632 2.613 ( 4.933 2.142 6.752) 8.632 2.706 ( 2.009 -0.594 -3.502) 4.080 2.706 ( 2.009 -0.594 3.502) 4.080 2.725 ( 1.147 -2.782 -1.900) 3.559 2.725 ( 1.147 -2.782 1.900) 3.559 2.830 ( -1.337 -0.059 -1.638) 2.115 2.830 ( -1.337 -0.059 1.638) 2.115 2.870 ( 1.158 1.428 -0.865) 2.032 2.870 ( 1.158 1.428 0.865) 2.032 2.989 ( -1.580 1.243 -1.817) 2.710 2.989 ( -1.580 1.243 1.817) 2.710 3.011 ( -3.520 0.947 -0.337) 3.661 3.011 ( -3.520 0.947 0.337) 3.661 3.049 ( -4.111 -1.341 -0.939) 4.425 3.049 ( -4.111 -1.341 0.939) 4.425 3.173 ( -8.180 1.447 -5.112) 9.754 3.173 ( -8.180 1.447 5.112) 9.754 3.194 ( -8.353 -0.516 -4.425) 9.467 3.194 ( -8.353 -0.516 4.425) 9.467 3.369 ( 2.385 0.380 -0.411) 2.450 3.369 ( 2.385 0.380 0.411) 2.450 3.483 ( -0.585 -0.668 -0.791) 1.189 3.483 ( -0.585 -0.668 0.791) 1.189 3.508 ( -0.452 0.275 -0.793) 0.954 3.508 ( -0.452 0.275 0.793) 0.954 3.571 ( -0.643 -0.129 -0.788) 1.025 3.571 ( -0.643 -0.129 0.788) 1.025 4.450 ( 2.929 0.404 -4.651) 5.511 4.450 ( 2.929 0.404 4.651) 5.511 4.474 ( 2.831 -2.509 -3.836) 5.388 4.474 ( 2.831 -2.509 3.836) 5.388 4.588 ( 2.672 2.522 -1.115) 3.840 4.588 ( 2.672 2.522 1.115) 3.840 4.622 ( 2.289 -0.702 -0.235) 2.405 4.622 ( 2.289 -0.702 0.235) 2.405 5.865 ( 0.542 0.038 -0.523) 0.754 5.865 ( 0.542 0.038 0.523) 0.754 5.928 ( 1.220 0.442 -0.097) 1.301 5.928 ( 1.220 0.442 0.097) 1.301 5.933 ( -1.468 0.087 -0.435) 1.533 5.933 ( -1.468 0.087 0.435) 1.533 5.965 ( 0.806 -1.781 -0.429) 2.002 5.965 ( 0.806 -1.781 0.429) 2.002 6.227 ( 15.026 1.265 -1.492) 15.153 6.227 ( 15.026 1.265 1.492) 15.153 6.265 ( 12.657 -1.578 -1.578) 12.852 6.265 ( 12.657 -1.578 1.578) 12.852 6.482 ( 0.473 2.701 -4.566) 5.326 6.482 ( 0.473 2.701 4.566) 5.326 6.544 ( 0.822 -0.604 -2.484) 2.685 6.544 ( 0.822 -0.604 2.484) 2.685 6.612 ( 1.606 0.875 -8.029) 8.234 6.612 ( 1.606 0.875 8.029) 8.234 6.667 ( 1.341 -1.455 -5.199) 5.563 6.667 ( 1.341 -1.455 5.199) 5.563 6.771 ( 4.016 1.957 -1.223) 4.632 6.771 ( 4.016 1.957 1.223) 4.632 6.941 ( -2.247 -0.376 -1.274) 2.610 6.941 ( -2.247 -0.376 1.274) 2.610 7.104 ( 3.859 -1.817 -1.742) 4.607 7.104 ( 3.859 -1.817 1.741) 4.607 7.191 ( 0.381 -1.537 -2.381) 2.859 7.191 ( 0.381 -1.537 2.381) 2.859 7.374 ( -6.509 5.391 -1.638) 8.609 7.374 ( -6.509 5.391 1.639) 8.609 7.440 ( -9.548 -0.435 -0.933) 9.603 7.440 ( -9.548 -0.435 0.933) 9.603 7.549 ( -4.411 -0.159 -6.028) 7.471 7.549 ( -4.411 -0.159 6.028) 7.471 7.611 ( -5.956 -3.689 -4.114) 8.125 7.611 ( -5.956 -3.689 4.114) 8.125 8.243 ( -1.208 1.219 -0.762) 1.878 8.243 ( -1.208 1.219 0.762) 1.878 8.274 ( -2.598 -0.505 -0.914) 2.800 8.274 ( -2.598 -0.505 0.914) 2.800 ======================= Grid point 134 (50/50) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.000 0.726 0.000) 0.726 1.064 ( 0.000 0.726 0.000) 0.726 1.077 ( -0.000 -0.661 0.000) 0.661 1.077 ( 0.000 -0.661 0.000) 0.661 1.771 ( -0.000 0.447 -0.000) 0.447 1.771 ( 0.000 0.447 0.000) 0.447 1.780 ( 0.000 -0.494 -0.000) 0.494 1.780 ( 0.000 -0.494 0.000) 0.494 2.137 ( 0.000 3.172 0.000) 3.172 2.137 ( 0.000 3.172 0.000) 3.172 2.192 ( 0.000 -2.736 0.000) 2.736 2.192 ( 0.000 -2.736 0.000) 2.736 2.310 ( -0.000 0.518 0.000) 0.518 2.310 ( 0.000 0.518 0.000) 0.518 2.323 ( -0.000 -0.596 -0.000) 0.596 2.323 ( 0.000 -0.596 0.000) 0.596 2.462 ( 0.000 5.730 -0.000) 5.730 2.462 ( 0.000 5.730 0.000) 5.730 2.578 ( -0.000 -4.755 -0.000) 4.755 2.578 ( 0.000 -4.755 0.000) 4.755 2.662 ( 0.000 -2.922 0.000) 2.922 2.662 ( 0.000 -2.922 0.000) 2.922 2.683 ( -0.000 -3.152 0.000) 3.152 2.683 ( 0.000 -3.152 0.000) 3.152 2.820 ( 0.000 0.871 -0.000) 0.871 2.820 ( 0.000 0.871 0.000) 0.871 2.824 ( -0.000 0.337 -0.000) 0.337 2.824 ( -0.000 0.337 0.000) 0.337 2.899 ( 0.000 0.321 -0.000) 0.321 2.899 ( -0.000 0.321 0.000) 0.321 2.908 ( 0.000 -0.263 0.000) 0.263 2.908 ( 0.000 -0.263 0.000) 0.263 3.014 ( -0.000 1.857 -0.000) 1.857 3.014 ( -0.000 1.857 0.000) 1.857 3.015 ( 0.000 1.225 -0.000) 1.225 3.015 ( 0.000 1.225 0.000) 1.225 3.063 ( 0.000 0.556 -0.000) 0.556 3.063 ( 0.000 0.556 0.000) 0.556 3.067 ( -0.000 0.724 0.000) 0.724 3.067 ( 0.000 0.724 0.000) 0.724 3.420 ( 0.000 0.405 0.000) 0.405 3.420 ( 0.000 0.405 0.000) 0.405 3.434 ( -0.000 -0.984 0.000) 0.984 3.434 ( 0.000 -0.984 0.000) 0.984 3.546 ( -0.000 0.070 0.000) 0.070 3.546 ( -0.000 0.070 0.000) 0.070 3.547 ( -0.000 0.009 0.000) 0.009 3.547 ( 0.000 0.009 -0.000) 0.009 4.489 ( -0.000 -0.619 -0.000) 0.619 4.489 ( 0.000 -0.619 -0.000) 0.619 4.493 ( -0.000 -1.027 0.000) 1.027 4.493 ( 0.000 -1.027 0.000) 1.027 4.629 ( 0.000 1.024 -0.000) 1.024 4.629 ( 0.000 1.024 0.000) 1.024 4.635 ( -0.000 0.285 -0.000) 0.285 4.635 ( 0.000 0.285 0.000) 0.285 5.883 ( 0.000 0.442 0.000) 0.442 5.883 ( 0.000 0.442 0.000) 0.442 5.895 ( -0.000 -0.825 -0.000) 0.825 5.895 ( 0.000 -0.825 0.000) 0.825 5.948 ( 0.000 0.847 -0.000) 0.847 5.948 ( 0.000 0.847 0.000) 0.847 5.972 ( 0.000 -1.811 0.000) 1.811 5.972 ( 0.000 -1.811 0.000) 1.811 6.431 ( 0.000 0.572 -0.000) 0.572 6.431 ( 0.000 0.572 0.000) 0.572 6.439 ( 0.000 -0.476 -0.000) 0.476 6.439 ( -0.000 -0.476 0.000) 0.476 6.508 ( -0.000 1.469 0.000) 1.469 6.508 ( -0.000 1.469 0.000) 1.469 6.508 ( -0.000 1.717 -0.000) 1.717 6.508 ( 0.001 1.717 0.000) 1.717 6.628 ( 0.000 0.770 0.000) 0.770 6.628 ( -0.000 0.770 0.000) 0.770 6.650 ( -0.000 -1.243 0.000) 1.243 6.650 ( 0.000 -1.243 0.000) 1.243 6.841 ( 0.000 1.631 0.000) 1.631 6.841 ( 0.000 1.631 0.000) 1.631 6.884 ( 0.000 -2.820 0.000) 2.820 6.884 ( 0.000 -2.820 0.000) 2.820 7.177 ( -0.000 -0.230 -0.000) 0.230 7.177 ( 0.000 -0.230 0.000) 0.230 7.182 ( 0.000 -0.620 -0.000) 0.620 7.182 ( -0.000 -0.620 0.000) 0.620 7.305 ( -0.000 1.262 -0.001) 1.262 7.305 ( -0.000 1.262 0.000) 1.262 7.307 ( 0.000 0.787 -0.000) 0.787 7.307 ( 0.001 0.787 0.001) 0.787 7.504 ( -0.000 0.953 0.000) 0.953 7.504 ( 0.000 0.953 0.000) 0.953 7.542 ( 0.000 -2.857 0.000) 2.857 7.542 ( 0.000 -2.857 0.000) 2.857 8.234 ( 0.000 0.678 -0.000) 0.678 8.234 ( 0.000 0.678 0.000) 0.678 8.242 ( -0.000 -0.226 -0.000) 0.226 8.242 ( -0.000 -0.226 0.000) 0.226 =================== 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 3/18432 10.0 26.332 19.746 27.331 0.000 0.000 0.000 3/18432 20.0 8.371 4.048 7.208 0.000 0.000 0.000 3/18432 30.0 4.673 2.142 3.687 0.000 0.000 0.000 3/18432 40.0 3.312 1.494 2.533 0.000 0.000 0.000 3/18432 50.0 2.621 1.168 1.986 0.000 0.000 0.000 3/18432 60.0 2.199 0.969 1.664 0.000 0.000 0.000 3/18432 70.0 1.911 0.835 1.450 0.000 0.000 0.000 3/18432 80.0 1.701 0.738 1.294 0.000 0.000 0.000 3/18432 90.0 1.538 0.665 1.175 0.000 0.000 0.000 3/18432 100.0 1.408 0.607 1.080 0.000 0.000 0.000 3/18432 110.0 1.300 0.560 1.001 0.000 0.000 0.000 3/18432 120.0 1.209 0.520 0.934 0.000 0.000 0.000 3/18432 130.0 1.131 0.486 0.875 0.000 0.000 0.000 3/18432 140.0 1.062 0.457 0.824 0.000 0.000 0.000 3/18432 150.0 1.002 0.431 0.779 0.000 0.000 0.000 3/18432 160.0 0.948 0.407 0.738 0.000 0.000 0.000 3/18432 170.0 0.899 0.387 0.702 0.000 0.000 0.000 3/18432 180.0 0.855 0.368 0.668 0.000 0.000 0.000 3/18432 190.0 0.815 0.351 0.638 0.000 0.000 0.000 3/18432 200.0 0.779 0.335 0.610 0.000 0.000 0.000 3/18432 210.0 0.746 0.321 0.585 0.000 0.000 0.000 3/18432 220.0 0.715 0.308 0.561 0.000 0.000 0.000 3/18432 230.0 0.687 0.296 0.539 0.000 0.000 0.000 3/18432 240.0 0.661 0.285 0.519 0.000 0.000 0.000 3/18432 250.0 0.636 0.274 0.501 0.000 0.000 0.000 3/18432 260.0 0.614 0.265 0.483 0.000 0.000 0.000 3/18432 270.0 0.593 0.255 0.467 0.000 0.000 0.000 3/18432 280.0 0.573 0.247 0.451 0.000 0.000 0.000 3/18432 290.0 0.554 0.239 0.437 0.000 0.000 0.000 3/18432 300.0 0.537 0.232 0.423 0.000 0.000 0.000 3/18432 310.0 0.521 0.225 0.411 0.000 0.000 0.000 3/18432 320.0 0.505 0.218 0.399 0.000 0.000 0.000 3/18432 330.0 0.491 0.212 0.387 0.000 0.000 0.000 3/18432 340.0 0.477 0.206 0.377 0.000 0.000 0.000 3/18432 350.0 0.464 0.200 0.367 0.000 0.000 0.000 3/18432 360.0 0.452 0.195 0.357 0.000 0.000 0.000 3/18432 370.0 0.440 0.190 0.348 0.000 0.000 0.000 3/18432 380.0 0.429 0.185 0.339 0.000 0.000 0.000 3/18432 390.0 0.419 0.181 0.331 0.000 0.000 0.000 3/18432 400.0 0.409 0.176 0.323 0.000 0.000 0.000 3/18432 410.0 0.399 0.172 0.315 0.000 0.000 0.000 3/18432 420.0 0.390 0.168 0.308 0.000 0.000 0.000 3/18432 430.0 0.381 0.165 0.301 0.000 0.000 0.000 3/18432 440.0 0.373 0.161 0.295 0.000 0.000 0.000 3/18432 450.0 0.365 0.158 0.288 0.000 0.000 0.000 3/18432 460.0 0.357 0.154 0.282 0.000 0.000 0.000 3/18432 470.0 0.350 0.151 0.277 0.000 0.000 0.000 3/18432 480.0 0.343 0.148 0.271 0.000 0.000 0.000 3/18432 490.0 0.336 0.145 0.266 0.000 0.000 0.000 3/18432 500.0 0.329 0.142 0.261 0.000 0.000 0.000 3/18432 510.0 0.323 0.140 0.256 0.000 0.000 0.000 3/18432 520.0 0.317 0.137 0.251 0.000 0.000 0.000 3/18432 530.0 0.311 0.134 0.246 0.000 0.000 0.000 3/18432 540.0 0.305 0.132 0.242 0.000 0.000 0.000 3/18432 550.0 0.300 0.130 0.238 0.000 0.000 0.000 3/18432 560.0 0.295 0.127 0.233 0.000 0.000 0.000 3/18432 570.0 0.290 0.125 0.229 0.000 0.000 0.000 3/18432 580.0 0.285 0.123 0.226 0.000 0.000 0.000 3/18432 590.0 0.280 0.121 0.222 0.000 0.000 0.000 3/18432 600.0 0.276 0.119 0.218 0.000 0.000 0.000 3/18432 610.0 0.271 0.117 0.215 0.000 0.000 0.000 3/18432 620.0 0.267 0.115 0.211 0.000 0.000 0.000 3/18432 630.0 0.263 0.114 0.208 0.000 0.000 0.000 3/18432 640.0 0.259 0.112 0.205 0.000 0.000 0.000 3/18432 650.0 0.255 0.110 0.202 0.000 0.000 0.000 3/18432 660.0 0.251 0.108 0.199 0.000 0.000 0.000 3/18432 670.0 0.247 0.107 0.196 0.000 0.000 0.000 3/18432 680.0 0.244 0.105 0.193 0.000 0.000 0.000 3/18432 690.0 0.240 0.104 0.190 0.000 0.000 0.000 3/18432 700.0 0.237 0.102 0.188 0.000 0.000 0.000 3/18432 710.0 0.234 0.101 0.185 0.000 0.000 0.000 3/18432 720.0 0.230 0.100 0.183 0.000 0.000 0.000 3/18432 730.0 0.227 0.098 0.180 0.000 0.000 0.000 3/18432 740.0 0.224 0.097 0.178 0.000 0.000 0.000 3/18432 750.0 0.221 0.096 0.175 0.000 0.000 0.000 3/18432 760.0 0.218 0.094 0.173 0.000 0.000 0.000 3/18432 770.0 0.216 0.093 0.171 0.000 0.000 0.000 3/18432 780.0 0.213 0.092 0.169 0.000 0.000 0.000 3/18432 790.0 0.210 0.091 0.167 0.000 0.000 0.000 3/18432 800.0 0.208 0.090 0.165 0.000 0.000 0.000 3/18432 810.0 0.205 0.089 0.163 0.000 0.000 0.000 3/18432 820.0 0.203 0.088 0.161 0.000 0.000 0.000 3/18432 830.0 0.200 0.087 0.159 0.000 0.000 0.000 3/18432 840.0 0.198 0.086 0.157 0.000 0.000 0.000 3/18432 850.0 0.196 0.085 0.155 0.000 0.000 0.000 3/18432 860.0 0.193 0.084 0.153 0.000 0.000 0.000 3/18432 870.0 0.191 0.083 0.152 0.000 0.000 0.000 3/18432 880.0 0.189 0.082 0.150 0.000 0.000 0.000 3/18432 890.0 0.187 0.081 0.148 0.000 0.000 0.000 3/18432 900.0 0.185 0.080 0.147 0.000 0.000 0.000 3/18432 910.0 0.183 0.079 0.145 0.000 0.000 0.000 3/18432 920.0 0.181 0.078 0.143 0.000 0.000 0.000 3/18432 930.0 0.179 0.077 0.142 0.000 0.000 0.000 3/18432 940.0 0.177 0.077 0.140 0.000 0.000 0.000 3/18432 950.0 0.175 0.076 0.139 0.000 0.000 0.000 3/18432 960.0 0.173 0.075 0.137 0.000 0.000 0.000 3/18432 970.0 0.172 0.074 0.136 0.000 0.000 0.000 3/18432 980.0 0.170 0.073 0.135 0.000 0.000 0.000 3/18432 990.0 0.168 0.073 0.133 0.000 0.000 0.000 3/18432 1000.0 0.166 0.072 0.132 0.000 0.000 0.000 3/18432 Thermal conductivity related properties were written into "kappa-m838.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:02:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|