----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:29:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.444926240072382 -4.454563285000000 0.000000000000000 b 6.444926240072382 4.454563285000000 0.000000000000000 c -1.592902409857558 0.000000000000000 5.201060680677349 Atomic positions (fractional): *1 O 0.63626753459392 0.74934876230338 0.07433820881822 15.999 2 O 0.25065123769662 0.36373246540608 0.42566179118178 15.999 3 O 0.36373246540608 0.25065123769662 0.92566179118178 15.999 4 O 0.74934876230338 0.63626753459392 0.57433820881822 15.999 *5 O 0.37138112039575 0.86362791779772 0.64472014583950 15.999 6 O 0.13637208220228 0.62861887960425 0.85527985416050 15.999 7 O 0.62861887960425 0.13637208220228 0.35527985416050 15.999 8 O 0.86362791779772 0.37138112039575 0.14472014583950 15.999 *9 O 0.16855167373406 0.06012108343129 0.07100827825930 15.999 10 O 0.93987891656871 0.83144832626594 0.42899172174070 15.999 *11 O 0.46563551568994 0.53436448431006 0.25000000000000 15.999 12 O 0.53436448431006 0.46563551568994 0.75000000000000 15.999 13 O 0.06012108343129 0.16855167373406 0.57100827825930 15.999 14 O 0.83144832626594 0.93987891656871 0.92899172174070 15.999 *15 Al 0.55984466000712 0.67837181369851 0.73417421526492 26.982 16 Al 0.32162818630149 0.44015533999288 0.76582578473508 26.982 17 Al 0.44015533999288 0.32162818630149 0.26582578473508 26.982 18 Al 0.67837181369851 0.55984466000712 0.23417421526492 26.982 *19 Al 0.24945977057410 0.07655117652364 0.80609976732008 26.982 20 Al 0.92344882347637 0.75054022942590 0.69390023267992 26.982 21 Al 0.75054022942590 0.92344882347637 0.19390023267992 26.982 22 Al 0.07655117652363 0.24945977057410 0.30609976732008 26.982 *23 Ca 0.80931192146673 0.19068807853327 0.75000000000000 40.078 24 Ca 0.19068807853328 0.80931192146673 0.25000000000000 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.889852480144764 0.000000000000000 0.000000000000000 b 0.000000000000000 8.909126570000000 0.000000000000000 c -1.592902409857558 0.000000000000000 5.201060680677349 Atomic positions (fractional): *1 O 0.69280814844865 0.05654061385473 0.07433820881822 15.999 > 1 2 O 0.30719185155135 0.05654061385473 0.42566179118178 15.999 > 2 3 O 0.30719185155135 0.94345938614527 0.92566179118178 15.999 > 3 4 O 0.69280814844865 0.94345938614527 0.57433820881822 15.999 > 4 *5 O 0.61750451909673 0.24612339870099 0.64472014583950 15.999 > 5 6 O 0.38249548090327 0.24612339870099 0.85527985416050 15.999 > 6 7 O 0.38249548090327 0.75387660129901 0.35527985416050 15.999 > 7 8 O 0.61750451909673 0.75387660129901 0.14472014583950 15.999 > 8 *9 O 0.11433637858267 0.94578470484862 0.07100827825930 15.999 > 9 10 O 0.88566362141733 0.94578470484862 0.42899172174070 15.999 > 10 *11 O 0.50000000000000 0.03436448431006 0.25000000000000 15.999 > 11 12 O 0.50000000000000 0.96563551568994 0.75000000000000 15.999 > 12 13 O 0.11433637858267 0.05421529515138 0.57100827825930 15.999 > 13 14 O 0.88566362141733 0.05421529515138 0.92899172174070 15.999 > 14 15 O 0.19280814844865 0.55654061385473 0.07433820881822 15.999 > 1 16 O 0.80719185155135 0.55654061385473 0.42566179118178 15.999 > 2 17 O 0.80719185155135 0.44345938614527 0.92566179118178 15.999 > 3 18 O 0.19280814844865 0.44345938614527 0.57433820881822 15.999 > 4 19 O 0.11750451909673 0.74612339870099 0.64472014583950 15.999 > 5 20 O 0.88249548090327 0.74612339870099 0.85527985416050 15.999 > 6 21 O 0.88249548090327 0.25387660129901 0.35527985416050 15.999 > 7 22 O 0.11750451909673 0.25387660129901 0.14472014583950 15.999 > 8 23 O 0.61433637858267 0.44578470484862 0.07100827825930 15.999 > 9 24 O 0.38566362141733 0.44578470484862 0.42899172174070 15.999 > 10 25 O 0.00000000000000 0.53436448431006 0.25000000000000 15.999 > 11 26 O 0.00000000000000 0.46563551568994 0.75000000000000 15.999 > 12 27 O 0.61433637858267 0.55421529515138 0.57100827825930 15.999 > 13 28 O 0.38566362141733 0.55421529515138 0.92899172174070 15.999 > 14 *29 Al 0.61910823685282 0.05926357684569 0.73417421526492 26.982 > 15 30 Al 0.38089176314718 0.05926357684569 0.76582578473508 26.982 > 16 31 Al 0.38089176314718 0.94073642315431 0.26582578473508 26.982 > 17 32 Al 0.61910823685282 0.94073642315431 0.23417421526492 26.982 > 18 *33 Al 0.16300547354887 0.91354570297477 0.80609976732008 26.982 > 19 34 Al 0.83699452645113 0.91354570297477 0.69390023267992 26.982 > 20 35 Al 0.83699452645113 0.08645429702523 0.19390023267992 26.982 > 21 36 Al 0.16300547354887 0.08645429702523 0.30609976732008 26.982 > 22 37 Al 0.11910823685282 0.55926357684569 0.73417421526492 26.982 > 15 38 Al 0.88089176314718 0.55926357684569 0.76582578473508 26.982 > 16 39 Al 0.88089176314718 0.44073642315431 0.26582578473508 26.982 > 17 40 Al 0.11910823685282 0.44073642315431 0.23417421526492 26.982 > 18 41 Al 0.66300547354887 0.41354570297477 0.80609976732008 26.982 > 19 42 Al 0.33699452645113 0.41354570297477 0.69390023267992 26.982 > 20 43 Al 0.33699452645113 0.58645429702523 0.19390023267992 26.982 > 21 44 Al 0.66300547354887 0.58645429702523 0.30609976732008 26.982 > 22 *45 Ca 0.50000000000000 0.69068807853327 0.75000000000000 40.078 > 23 46 Ca 0.50000000000000 0.30931192146672 0.25000000000000 40.078 > 24 47 Ca 0.00000000000000 0.19068807853327 0.75000000000000 40.078 > 23 48 Ca 0.00000000000000 0.80931192146673 0.25000000000000 40.078 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.889852480144764 0.000000000000000 0.000000000000000 b 0.000000000000000 8.909126570000000 0.000000000000000 c -3.185804819715116 0.000000000000000 10.402121361354698 Atomic positions (fractional): *1 O 0.69280814844865 0.05654061385473 0.03716910440911 15.999 > 1 2 O 0.69280814844865 0.05654061385473 0.53716910440911 15.999 > 1 3 O 0.30719185155135 0.05654061385473 0.21283089559089 15.999 > 2 4 O 0.30719185155135 0.05654061385473 0.71283089559089 15.999 > 2 5 O 0.30719185155135 0.94345938614527 0.46283089559089 15.999 > 3 6 O 0.30719185155135 0.94345938614527 0.96283089559089 15.999 > 3 7 O 0.69280814844865 0.94345938614527 0.28716910440911 15.999 > 4 8 O 0.69280814844865 0.94345938614527 0.78716910440911 15.999 > 4 *9 O 0.61750451909673 0.24612339870099 0.32236007291975 15.999 > 5 10 O 0.61750451909673 0.24612339870099 0.82236007291975 15.999 > 5 11 O 0.38249548090327 0.24612339870099 0.42763992708025 15.999 > 6 12 O 0.38249548090327 0.24612339870099 0.92763992708025 15.999 > 6 13 O 0.38249548090327 0.75387660129901 0.17763992708025 15.999 > 7 14 O 0.38249548090327 0.75387660129901 0.67763992708025 15.999 > 7 15 O 0.61750451909673 0.75387660129901 0.07236007291975 15.999 > 8 16 O 0.61750451909673 0.75387660129901 0.57236007291975 15.999 > 8 *17 O 0.11433637858267 0.94578470484862 0.03550413912965 15.999 > 9 18 O 0.11433637858267 0.94578470484862 0.53550413912965 15.999 > 9 19 O 0.88566362141733 0.94578470484862 0.21449586087035 15.999 > 10 20 O 0.88566362141733 0.94578470484862 0.71449586087035 15.999 > 10 *21 O 0.50000000000000 0.03436448431006 0.12500000000000 15.999 > 11 22 O 0.50000000000000 0.03436448431006 0.62500000000000 15.999 > 11 23 O 0.50000000000000 0.96563551568994 0.37500000000000 15.999 > 12 24 O 0.50000000000000 0.96563551568994 0.87500000000000 15.999 > 12 25 O 0.11433637858267 0.05421529515138 0.28550413912965 15.999 > 13 26 O 0.11433637858267 0.05421529515138 0.78550413912965 15.999 > 13 27 O 0.88566362141733 0.05421529515138 0.46449586087035 15.999 > 14 28 O 0.88566362141733 0.05421529515138 0.96449586087035 15.999 > 14 29 O 0.19280814844865 0.55654061385473 0.03716910440911 15.999 > 1 30 O 0.19280814844865 0.55654061385473 0.53716910440911 15.999 > 1 31 O 0.80719185155135 0.55654061385473 0.21283089559089 15.999 > 2 32 O 0.80719185155135 0.55654061385473 0.71283089559089 15.999 > 2 33 O 0.80719185155135 0.44345938614527 0.46283089559089 15.999 > 3 34 O 0.80719185155135 0.44345938614527 0.96283089559089 15.999 > 3 35 O 0.19280814844865 0.44345938614527 0.28716910440911 15.999 > 4 36 O 0.19280814844865 0.44345938614527 0.78716910440911 15.999 > 4 37 O 0.11750451909673 0.74612339870099 0.32236007291975 15.999 > 5 38 O 0.11750451909673 0.74612339870099 0.82236007291975 15.999 > 5 39 O 0.88249548090327 0.74612339870099 0.42763992708025 15.999 > 6 40 O 0.88249548090327 0.74612339870099 0.92763992708025 15.999 > 6 41 O 0.88249548090327 0.25387660129901 0.17763992708025 15.999 > 7 42 O 0.88249548090327 0.25387660129901 0.67763992708025 15.999 > 7 43 O 0.11750451909673 0.25387660129901 0.07236007291975 15.999 > 8 44 O 0.11750451909673 0.25387660129901 0.57236007291975 15.999 > 8 45 O 0.61433637858267 0.44578470484862 0.03550413912965 15.999 > 9 46 O 0.61433637858267 0.44578470484862 0.53550413912965 15.999 > 9 47 O 0.38566362141733 0.44578470484862 0.21449586087035 15.999 > 10 48 O 0.38566362141733 0.44578470484862 0.71449586087035 15.999 > 10 49 O 0.00000000000000 0.53436448431006 0.12500000000000 15.999 > 11 50 O 0.00000000000000 0.53436448431006 0.62500000000000 15.999 > 11 51 O 0.00000000000000 0.46563551568994 0.37500000000000 15.999 > 12 52 O 0.00000000000000 0.46563551568994 0.87500000000000 15.999 > 12 53 O 0.61433637858267 0.55421529515138 0.28550413912965 15.999 > 13 54 O 0.61433637858267 0.55421529515138 0.78550413912965 15.999 > 13 55 O 0.38566362141733 0.55421529515138 0.46449586087035 15.999 > 14 56 O 0.38566362141733 0.55421529515138 0.96449586087035 15.999 > 14 *57 Al 0.61910823685282 0.05926357684569 0.36708710763246 26.982 > 15 58 Al 0.61910823685282 0.05926357684569 0.86708710763246 26.982 > 15 59 Al 0.38089176314718 0.05926357684569 0.38291289236754 26.982 > 16 60 Al 0.38089176314718 0.05926357684569 0.88291289236754 26.982 > 16 61 Al 0.38089176314718 0.94073642315431 0.13291289236754 26.982 > 17 62 Al 0.38089176314718 0.94073642315431 0.63291289236754 26.982 > 17 63 Al 0.61910823685282 0.94073642315431 0.11708710763246 26.982 > 18 64 Al 0.61910823685282 0.94073642315431 0.61708710763246 26.982 > 18 *65 Al 0.16300547354887 0.91354570297477 0.40304988366004 26.982 > 19 66 Al 0.16300547354887 0.91354570297477 0.90304988366004 26.982 > 19 67 Al 0.83699452645113 0.91354570297477 0.34695011633996 26.982 > 20 68 Al 0.83699452645113 0.91354570297477 0.84695011633996 26.982 > 20 69 Al 0.83699452645113 0.08645429702523 0.09695011633996 26.982 > 21 70 Al 0.83699452645113 0.08645429702523 0.59695011633996 26.982 > 21 71 Al 0.16300547354887 0.08645429702523 0.15304988366004 26.982 > 22 72 Al 0.16300547354887 0.08645429702523 0.65304988366004 26.982 > 22 73 Al 0.11910823685282 0.55926357684569 0.36708710763246 26.982 > 15 74 Al 0.11910823685282 0.55926357684569 0.86708710763246 26.982 > 15 75 Al 0.88089176314718 0.55926357684569 0.38291289236754 26.982 > 16 76 Al 0.88089176314718 0.55926357684569 0.88291289236754 26.982 > 16 77 Al 0.88089176314718 0.44073642315431 0.13291289236754 26.982 > 17 78 Al 0.88089176314718 0.44073642315431 0.63291289236754 26.982 > 17 79 Al 0.11910823685282 0.44073642315431 0.11708710763246 26.982 > 18 80 Al 0.11910823685282 0.44073642315431 0.61708710763246 26.982 > 18 81 Al 0.66300547354887 0.41354570297477 0.40304988366004 26.982 > 19 82 Al 0.66300547354887 0.41354570297477 0.90304988366004 26.982 > 19 83 Al 0.33699452645113 0.41354570297477 0.34695011633996 26.982 > 20 84 Al 0.33699452645113 0.41354570297477 0.84695011633996 26.982 > 20 85 Al 0.33699452645113 0.58645429702523 0.09695011633996 26.982 > 21 86 Al 0.33699452645113 0.58645429702523 0.59695011633996 26.982 > 21 87 Al 0.66300547354887 0.58645429702523 0.15304988366004 26.982 > 22 88 Al 0.66300547354887 0.58645429702523 0.65304988366004 26.982 > 22 *89 Ca 0.50000000000000 0.69068807853327 0.37500000000000 40.078 > 23 90 Ca 0.50000000000000 0.69068807853327 0.87500000000000 40.078 > 23 91 Ca 0.50000000000000 0.30931192146672 0.12500000000000 40.078 > 24 92 Ca 0.50000000000000 0.30931192146672 0.62500000000000 40.078 > 24 93 Ca 0.00000000000000 0.19068807853327 0.37500000000000 40.078 > 23 94 Ca 0.00000000000000 0.19068807853327 0.87500000000000 40.078 > 23 95 Ca 0.00000000000000 0.80931192146673 0.12500000000000 40.078 > 24 96 Ca 0.00000000000000 0.80931192146673 0.62500000000000 40.078 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8236744 0.0000000 0.0423801 0.0000000 2.8106790 0.0000000 0.0423809 0.0000000 2.9441615 -------------------------- Born effective charges -------------------------- 1 O -2.0971854 -0.2994351 -0.1622817 -0.2694008 -1.3513126 0.1744069 -0.1908723 0.1435087 -1.9864613 2 O -2.0971854 0.2994351 -0.1622817 0.2694008 -1.3513126 -0.1744069 -0.1908723 -0.1435087 -1.9864613 3 O -2.0971854 -0.2994351 -0.1622817 -0.2694008 -1.3513126 0.1744069 -0.1908723 0.1435087 -1.9864613 4 O -2.0971854 0.2994351 -0.1622817 0.2694008 -1.3513126 -0.1744069 -0.1908723 -0.1435087 -1.9864613 5 O -1.3009145 -0.0974810 -0.2105540 -0.1222827 -2.3162358 -0.0118002 -0.2210091 -0.0310120 -1.8013218 6 O -1.3009145 0.0974810 -0.2105540 0.1222827 -2.3162358 0.0118002 -0.2210091 0.0310120 -1.8013218 7 O -1.3009145 -0.0974810 -0.2105540 -0.1222827 -2.3162358 -0.0118002 -0.2210091 -0.0310120 -1.8013218 8 O -1.3009145 0.0974810 -0.2105540 0.1222827 -2.3162358 0.0118002 -0.2210091 0.0310120 -1.8013218 9 O -1.7575648 -0.0880195 0.2656968 -0.0900559 -1.6329320 -0.2143051 0.2625161 -0.2069526 -2.0181257 10 O -1.7575648 0.0880195 0.2656968 0.0900559 -1.6329320 0.2143051 0.2625161 0.2069526 -2.0181257 11 O -2.0400663 0.0000000 -0.0865949 0.0000000 -1.6785976 0.0000000 -0.0130023 0.0000000 -1.9061610 12 O -2.0400663 0.0000000 -0.0865949 0.0000000 -1.6785976 0.0000000 -0.0130023 0.0000000 -1.9061610 13 O -1.7575648 0.0880195 0.2656968 0.0900559 -1.6329320 0.2143051 0.2625161 0.2069526 -2.0181257 14 O -1.7575648 -0.0880195 0.2656968 -0.0900559 -1.6329320 -0.2143051 0.2625161 -0.2069526 -2.0181257 15 Al 2.6099490 0.0224130 0.0502095 0.0345288 2.4769441 -0.0131709 0.0304191 0.0482747 2.8514146 16 Al 2.6099490 -0.0224130 0.0502095 -0.0345288 2.4769441 0.0131709 0.0304191 -0.0482747 2.8514146 17 Al 2.6099490 0.0224130 0.0502095 0.0345288 2.4769441 -0.0131709 0.0304191 0.0482747 2.8514146 18 Al 2.6099490 -0.0224130 0.0502095 -0.0345288 2.4769441 0.0131709 0.0304191 -0.0482747 2.8514146 19 Al 2.5042689 0.1242606 0.0669016 0.0979084 2.4634447 0.1141410 0.0887505 0.0454099 2.6435478 20 Al 2.5042689 -0.1242606 0.0669016 -0.0979084 2.4634447 -0.1141410 0.0887505 -0.0454099 2.6435478 21 Al 2.5042689 0.1242606 0.0669016 0.0979084 2.4634447 0.1141410 0.0887505 0.0454099 2.6435478 22 Al 2.5042689 -0.1242606 0.0669016 -0.0979084 2.4634447 -0.1141410 0.0887505 -0.0454099 2.6435478 23 Ca 2.1229602 0.0000000 0.0666507 0.0000000 2.3987808 0.0000000 0.0733937 0.0000000 2.5280537 24 Ca 2.1229602 0.0000000 0.0666507 0.0000000 2.3987808 0.0000000 0.0733937 0.0000000 2.5280537 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 12816/12816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 239 eigenvectors found. (2) Block: 584 / 584 (2) 77 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 241 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 241 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 15), data: (568, 25) @ (25, 15) |-- (68, 62), data: True |-- (250, 241), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 15), data: (568, 25) @ (25, 15) |-- (68, 62), data: True |-- (250, 241), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 18), data: (584, 31) @ (31, 18) |-- (84, 77), data: True |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.703 Solver_block: 200 / 720 - Time: 0.623 Solver_block: 300 / 720 - Time: 0.627 Solver_block: 400 / 720 - Time: 0.632 Solver_block: 500 / 720 - Time: 0.618 Solver_block: 600 / 720 - Time: 0.620 Solver_block: 700 / 720 - Time: 0.632 Solver_block: 720 / 720 - Time: 0.224 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.788 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 12816/12816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2704 Number of blocks in projector: 2704 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: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 239 eigenvectors found. (2) Block: 584 / 584 (2) 77 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 241 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 568 Use submatrix version of eigh solver. (1) Block: 568 / 568 (2) Block: 250 / 568 (2) 240 eigenvectors found. (2) Block: 500 / 568 (2) 241 eigenvectors found. (2) Block: 568 / 568 (2) 62 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 558 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2704, 2650), data: False |-- (328, 321), data: True |-- (328, 321), data: True |-- (328, 321), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 15), data: (568, 25) @ (25, 15) |-- (68, 62), data: True |-- (250, 241), data: True |-- (250, 240), data: True |-- (568, 558), data: False |-- (568, 558), data: False |-- (568, 15), data: (568, 25) @ (25, 15) |-- (68, 62), data: True |-- (250, 241), data: True |-- (250, 240), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 18), data: (584, 31) @ (31, 18) |-- (84, 77), data: True |-- (250, 239), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:30:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:30:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.444926240072382 -4.454563285000000 0.000000000000000 b 6.444926240072382 4.454563285000000 0.000000000000000 c -1.592902409857558 0.000000000000000 5.201060680677349 Atomic positions (fractional): 1 O 0.63626753459392 0.74934876230338 0.07433820881822 15.999 2 O 0.25065123769662 0.36373246540608 0.42566179118178 15.999 3 O 0.36373246540608 0.25065123769662 0.92566179118178 15.999 4 O 0.74934876230338 0.63626753459392 0.57433820881822 15.999 5 O 0.37138112039575 0.86362791779772 0.64472014583950 15.999 6 O 0.13637208220228 0.62861887960425 0.85527985416050 15.999 7 O 0.62861887960425 0.13637208220228 0.35527985416050 15.999 8 O 0.86362791779772 0.37138112039575 0.14472014583950 15.999 9 O 0.16855167373406 0.06012108343129 0.07100827825930 15.999 10 O 0.93987891656871 0.83144832626594 0.42899172174070 15.999 11 O 0.46563551568994 0.53436448431006 0.25000000000000 15.999 12 O 0.53436448431006 0.46563551568994 0.75000000000000 15.999 13 O 0.06012108343129 0.16855167373406 0.57100827825930 15.999 14 O 0.83144832626594 0.93987891656871 0.92899172174070 15.999 15 Al 0.55984466000712 0.67837181369851 0.73417421526492 26.982 16 Al 0.32162818630149 0.44015533999288 0.76582578473508 26.982 17 Al 0.44015533999288 0.32162818630149 0.26582578473508 26.982 18 Al 0.67837181369851 0.55984466000712 0.23417421526492 26.982 19 Al 0.24945977057410 0.07655117652364 0.80609976732008 26.982 20 Al 0.92344882347637 0.75054022942590 0.69390023267992 26.982 21 Al 0.75054022942590 0.92344882347637 0.19390023267992 26.982 22 Al 0.07655117652363 0.24945977057410 0.30609976732008 26.982 23 Ca 0.80931192146673 0.19068807853327 0.75000000000000 40.078 24 Ca 0.19068807853328 0.80931192146673 0.25000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.889852480144764 0.000000000000000 0.000000000000000 b 0.000000000000000 8.909126570000000 0.000000000000000 c -3.185804819715116 0.000000000000000 10.402121361354698 Atomic positions (fractional): 1 O 0.69280814844865 0.05654061385473 0.03716910440911 15.999 > 1 2 O 0.69280814844865 0.05654061385473 0.53716910440911 15.999 > 1 3 O 0.30719185155135 0.05654061385473 0.21283089559089 15.999 > 3 4 O 0.30719185155135 0.05654061385473 0.71283089559089 15.999 > 3 5 O 0.30719185155135 0.94345938614527 0.46283089559089 15.999 > 5 6 O 0.30719185155135 0.94345938614527 0.96283089559089 15.999 > 5 7 O 0.69280814844865 0.94345938614527 0.28716910440911 15.999 > 7 8 O 0.69280814844865 0.94345938614527 0.78716910440911 15.999 > 7 9 O 0.61750451909673 0.24612339870099 0.32236007291975 15.999 > 9 10 O 0.61750451909673 0.24612339870099 0.82236007291975 15.999 > 9 11 O 0.38249548090327 0.24612339870099 0.42763992708025 15.999 > 11 12 O 0.38249548090327 0.24612339870099 0.92763992708025 15.999 > 11 13 O 0.38249548090327 0.75387660129901 0.17763992708025 15.999 > 13 14 O 0.38249548090327 0.75387660129901 0.67763992708025 15.999 > 13 15 O 0.61750451909673 0.75387660129901 0.07236007291975 15.999 > 15 16 O 0.61750451909673 0.75387660129901 0.57236007291975 15.999 > 15 17 O 0.11433637858267 0.94578470484862 0.03550413912965 15.999 > 17 18 O 0.11433637858267 0.94578470484862 0.53550413912965 15.999 > 17 19 O 0.88566362141733 0.94578470484862 0.21449586087035 15.999 > 19 20 O 0.88566362141733 0.94578470484862 0.71449586087035 15.999 > 19 21 O 0.50000000000000 0.03436448431006 0.12500000000000 15.999 > 21 22 O 0.50000000000000 0.03436448431006 0.62500000000000 15.999 > 21 23 O 0.50000000000000 0.96563551568994 0.37500000000000 15.999 > 23 24 O 0.50000000000000 0.96563551568994 0.87500000000000 15.999 > 23 25 O 0.11433637858267 0.05421529515138 0.28550413912965 15.999 > 25 26 O 0.11433637858267 0.05421529515138 0.78550413912965 15.999 > 25 27 O 0.88566362141733 0.05421529515138 0.46449586087035 15.999 > 27 28 O 0.88566362141733 0.05421529515138 0.96449586087035 15.999 > 27 29 O 0.19280814844865 0.55654061385473 0.03716910440911 15.999 > 1 30 O 0.19280814844865 0.55654061385473 0.53716910440911 15.999 > 1 31 O 0.80719185155135 0.55654061385473 0.21283089559089 15.999 > 3 32 O 0.80719185155135 0.55654061385473 0.71283089559089 15.999 > 3 33 O 0.80719185155135 0.44345938614527 0.46283089559089 15.999 > 5 34 O 0.80719185155135 0.44345938614527 0.96283089559089 15.999 > 5 35 O 0.19280814844865 0.44345938614527 0.28716910440911 15.999 > 7 36 O 0.19280814844865 0.44345938614527 0.78716910440911 15.999 > 7 37 O 0.11750451909673 0.74612339870099 0.32236007291975 15.999 > 9 38 O 0.11750451909673 0.74612339870099 0.82236007291975 15.999 > 9 39 O 0.88249548090327 0.74612339870099 0.42763992708025 15.999 > 11 40 O 0.88249548090327 0.74612339870099 0.92763992708025 15.999 > 11 41 O 0.88249548090327 0.25387660129901 0.17763992708025 15.999 > 13 42 O 0.88249548090327 0.25387660129901 0.67763992708025 15.999 > 13 43 O 0.11750451909673 0.25387660129901 0.07236007291975 15.999 > 15 44 O 0.11750451909673 0.25387660129901 0.57236007291975 15.999 > 15 45 O 0.61433637858267 0.44578470484862 0.03550413912965 15.999 > 17 46 O 0.61433637858267 0.44578470484862 0.53550413912965 15.999 > 17 47 O 0.38566362141733 0.44578470484862 0.21449586087035 15.999 > 19 48 O 0.38566362141733 0.44578470484862 0.71449586087035 15.999 > 19 49 O 0.00000000000000 0.53436448431006 0.12500000000000 15.999 > 21 50 O 0.00000000000000 0.53436448431006 0.62500000000000 15.999 > 21 51 O 0.00000000000000 0.46563551568994 0.37500000000000 15.999 > 23 52 O 0.00000000000000 0.46563551568994 0.87500000000000 15.999 > 23 53 O 0.61433637858267 0.55421529515138 0.28550413912965 15.999 > 25 54 O 0.61433637858267 0.55421529515138 0.78550413912965 15.999 > 25 55 O 0.38566362141733 0.55421529515138 0.46449586087035 15.999 > 27 56 O 0.38566362141733 0.55421529515138 0.96449586087035 15.999 > 27 57 Al 0.61910823685282 0.05926357684569 0.36708710763246 26.982 > 57 58 Al 0.61910823685282 0.05926357684569 0.86708710763246 26.982 > 57 59 Al 0.38089176314718 0.05926357684569 0.38291289236754 26.982 > 59 60 Al 0.38089176314718 0.05926357684569 0.88291289236754 26.982 > 59 61 Al 0.38089176314718 0.94073642315431 0.13291289236754 26.982 > 61 62 Al 0.38089176314718 0.94073642315431 0.63291289236754 26.982 > 61 63 Al 0.61910823685282 0.94073642315431 0.11708710763246 26.982 > 63 64 Al 0.61910823685282 0.94073642315431 0.61708710763246 26.982 > 63 65 Al 0.16300547354887 0.91354570297477 0.40304988366004 26.982 > 65 66 Al 0.16300547354887 0.91354570297477 0.90304988366004 26.982 > 65 67 Al 0.83699452645113 0.91354570297477 0.34695011633996 26.982 > 67 68 Al 0.83699452645113 0.91354570297477 0.84695011633996 26.982 > 67 69 Al 0.83699452645113 0.08645429702523 0.09695011633996 26.982 > 69 70 Al 0.83699452645113 0.08645429702523 0.59695011633996 26.982 > 69 71 Al 0.16300547354887 0.08645429702523 0.15304988366004 26.982 > 71 72 Al 0.16300547354887 0.08645429702523 0.65304988366004 26.982 > 71 73 Al 0.11910823685282 0.55926357684569 0.36708710763246 26.982 > 57 74 Al 0.11910823685282 0.55926357684569 0.86708710763246 26.982 > 57 75 Al 0.88089176314718 0.55926357684569 0.38291289236754 26.982 > 59 76 Al 0.88089176314718 0.55926357684569 0.88291289236754 26.982 > 59 77 Al 0.88089176314718 0.44073642315431 0.13291289236754 26.982 > 61 78 Al 0.88089176314718 0.44073642315431 0.63291289236754 26.982 > 61 79 Al 0.11910823685282 0.44073642315431 0.11708710763246 26.982 > 63 80 Al 0.11910823685282 0.44073642315431 0.61708710763246 26.982 > 63 81 Al 0.66300547354887 0.41354570297477 0.40304988366004 26.982 > 65 82 Al 0.66300547354887 0.41354570297477 0.90304988366004 26.982 > 65 83 Al 0.33699452645113 0.41354570297477 0.34695011633996 26.982 > 67 84 Al 0.33699452645113 0.41354570297477 0.84695011633996 26.982 > 67 85 Al 0.33699452645113 0.58645429702523 0.09695011633996 26.982 > 69 86 Al 0.33699452645113 0.58645429702523 0.59695011633996 26.982 > 69 87 Al 0.66300547354887 0.58645429702523 0.15304988366004 26.982 > 71 88 Al 0.66300547354887 0.58645429702523 0.65304988366004 26.982 > 71 89 Ca 0.50000000000000 0.69068807853327 0.37500000000000 40.078 > 89 90 Ca 0.50000000000000 0.69068807853327 0.87500000000000 40.078 > 89 91 Ca 0.50000000000000 0.30931192146672 0.12500000000000 40.078 > 91 92 Ca 0.50000000000000 0.30931192146672 0.62500000000000 40.078 > 91 93 Ca 0.00000000000000 0.19068807853327 0.37500000000000 40.078 > 89 94 Ca 0.00000000000000 0.19068807853327 0.87500000000000 40.078 > 89 95 Ca 0.00000000000000 0.80931192146673 0.12500000000000 40.078 > 91 96 Ca 0.00000000000000 0.80931192146673 0.62500000000000 40.078 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8236744 0.0000000 0.0423801 0.0000000 2.8106790 0.0000000 0.0423809 0.0000000 2.9441615 -------------------------- Born effective charges -------------------------- 1 O -2.0971854 -0.2994351 -0.1622817 -0.2694008 -1.3513126 0.1744069 -0.1908723 0.1435087 -1.9864613 2 O -2.0971854 0.2994351 -0.1622817 0.2694008 -1.3513126 -0.1744069 -0.1908723 -0.1435087 -1.9864613 3 O -2.0971854 -0.2994351 -0.1622817 -0.2694008 -1.3513126 0.1744069 -0.1908723 0.1435087 -1.9864613 4 O -2.0971854 0.2994351 -0.1622817 0.2694008 -1.3513126 -0.1744069 -0.1908723 -0.1435087 -1.9864613 5 O -1.3009145 -0.0974810 -0.2105540 -0.1222827 -2.3162358 -0.0118002 -0.2210091 -0.0310120 -1.8013218 6 O -1.3009145 0.0974810 -0.2105540 0.1222827 -2.3162358 0.0118002 -0.2210091 0.0310120 -1.8013218 7 O -1.3009145 -0.0974810 -0.2105540 -0.1222827 -2.3162358 -0.0118002 -0.2210091 -0.0310120 -1.8013218 8 O -1.3009145 0.0974810 -0.2105540 0.1222827 -2.3162358 0.0118002 -0.2210091 0.0310120 -1.8013218 9 O -1.7575648 -0.0880195 0.2656968 -0.0900559 -1.6329320 -0.2143051 0.2625161 -0.2069526 -2.0181257 10 O -1.7575648 0.0880195 0.2656968 0.0900559 -1.6329320 0.2143051 0.2625161 0.2069526 -2.0181257 11 O -2.0400663 0.0000000 -0.0865949 0.0000000 -1.6785976 0.0000000 -0.0130023 0.0000000 -1.9061610 12 O -2.0400663 0.0000000 -0.0865949 0.0000000 -1.6785976 0.0000000 -0.0130023 0.0000000 -1.9061610 13 O -1.7575648 0.0880195 0.2656968 0.0900559 -1.6329320 0.2143051 0.2625161 0.2069526 -2.0181257 14 O -1.7575648 -0.0880195 0.2656968 -0.0900559 -1.6329320 -0.2143051 0.2625161 -0.2069526 -2.0181257 15 Al 2.6099490 0.0224130 0.0502095 0.0345288 2.4769441 -0.0131709 0.0304191 0.0482747 2.8514146 16 Al 2.6099490 -0.0224130 0.0502095 -0.0345288 2.4769441 0.0131709 0.0304191 -0.0482747 2.8514146 17 Al 2.6099490 0.0224130 0.0502095 0.0345288 2.4769441 -0.0131709 0.0304191 0.0482747 2.8514146 18 Al 2.6099490 -0.0224130 0.0502095 -0.0345288 2.4769441 0.0131709 0.0304191 -0.0482747 2.8514146 19 Al 2.5042689 0.1242606 0.0669016 0.0979084 2.4634447 0.1141410 0.0887505 0.0454099 2.6435478 20 Al 2.5042689 -0.1242606 0.0669016 -0.0979084 2.4634447 -0.1141410 0.0887505 -0.0454099 2.6435478 21 Al 2.5042689 0.1242606 0.0669016 0.0979084 2.4634447 0.1141410 0.0887505 0.0454099 2.6435478 22 Al 2.5042689 -0.1242606 0.0669016 -0.0979084 2.4634447 -0.1141410 0.0887505 -0.0454099 2.6435478 23 Ca 2.1229602 0.0000000 0.0666507 0.0000000 2.3987808 0.0000000 0.0733937 0.0000000 2.5280537 24 Ca 2.1229602 0.0000000 0.0666507 0.0000000 2.3987808 0.0000000 0.0733937 0.0000000 2.5280537 ---------------------------------------------------------------------------- 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 21, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xz) -0.00000003 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:30:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:30:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.444926240072382 -4.454563285000000 0.000000000000000 b 6.444926240072382 4.454563285000000 0.000000000000000 c -1.592902409857558 0.000000000000000 5.201060680677349 Atomic positions (fractional): 1 O 0.63626753459392 0.74934876230338 0.07433820881822 15.999 2 O 0.25065123769662 0.36373246540608 0.42566179118178 15.999 3 O 0.36373246540608 0.25065123769662 0.92566179118178 15.999 4 O 0.74934876230338 0.63626753459392 0.57433820881822 15.999 5 O 0.37138112039575 0.86362791779772 0.64472014583950 15.999 6 O 0.13637208220228 0.62861887960425 0.85527985416050 15.999 7 O 0.62861887960425 0.13637208220228 0.35527985416050 15.999 8 O 0.86362791779772 0.37138112039575 0.14472014583950 15.999 9 O 0.16855167373406 0.06012108343129 0.07100827825930 15.999 10 O 0.93987891656871 0.83144832626594 0.42899172174070 15.999 11 O 0.46563551568994 0.53436448431006 0.25000000000000 15.999 12 O 0.53436448431006 0.46563551568994 0.75000000000000 15.999 13 O 0.06012108343129 0.16855167373406 0.57100827825930 15.999 14 O 0.83144832626594 0.93987891656871 0.92899172174070 15.999 15 Al 0.55984466000712 0.67837181369851 0.73417421526492 26.982 16 Al 0.32162818630149 0.44015533999288 0.76582578473508 26.982 17 Al 0.44015533999288 0.32162818630149 0.26582578473508 26.982 18 Al 0.67837181369851 0.55984466000712 0.23417421526492 26.982 19 Al 0.24945977057410 0.07655117652364 0.80609976732008 26.982 20 Al 0.92344882347637 0.75054022942590 0.69390023267992 26.982 21 Al 0.75054022942590 0.92344882347637 0.19390023267992 26.982 22 Al 0.07655117652363 0.24945977057410 0.30609976732008 26.982 23 Ca 0.80931192146673 0.19068807853327 0.75000000000000 40.078 24 Ca 0.19068807853328 0.80931192146673 0.25000000000000 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.889852480144764 0.000000000000000 0.000000000000000 b 0.000000000000000 8.909126570000000 0.000000000000000 c -3.185804819715116 0.000000000000000 10.402121361354698 Atomic positions (fractional): 1 O 0.69280814844865 0.05654061385473 0.03716910440911 15.999 > 1 2 O 0.69280814844865 0.05654061385473 0.53716910440911 15.999 > 1 3 O 0.30719185155135 0.05654061385473 0.21283089559089 15.999 > 3 4 O 0.30719185155135 0.05654061385473 0.71283089559089 15.999 > 3 5 O 0.30719185155135 0.94345938614527 0.46283089559089 15.999 > 5 6 O 0.30719185155135 0.94345938614527 0.96283089559089 15.999 > 5 7 O 0.69280814844865 0.94345938614527 0.28716910440911 15.999 > 7 8 O 0.69280814844865 0.94345938614527 0.78716910440911 15.999 > 7 9 O 0.61750451909673 0.24612339870099 0.32236007291975 15.999 > 9 10 O 0.61750451909673 0.24612339870099 0.82236007291975 15.999 > 9 11 O 0.38249548090327 0.24612339870099 0.42763992708025 15.999 > 11 12 O 0.38249548090327 0.24612339870099 0.92763992708025 15.999 > 11 13 O 0.38249548090327 0.75387660129901 0.17763992708025 15.999 > 13 14 O 0.38249548090327 0.75387660129901 0.67763992708025 15.999 > 13 15 O 0.61750451909673 0.75387660129901 0.07236007291975 15.999 > 15 16 O 0.61750451909673 0.75387660129901 0.57236007291975 15.999 > 15 17 O 0.11433637858267 0.94578470484862 0.03550413912965 15.999 > 17 18 O 0.11433637858267 0.94578470484862 0.53550413912965 15.999 > 17 19 O 0.88566362141733 0.94578470484862 0.21449586087035 15.999 > 19 20 O 0.88566362141733 0.94578470484862 0.71449586087035 15.999 > 19 21 O 0.50000000000000 0.03436448431006 0.12500000000000 15.999 > 21 22 O 0.50000000000000 0.03436448431006 0.62500000000000 15.999 > 21 23 O 0.50000000000000 0.96563551568994 0.37500000000000 15.999 > 23 24 O 0.50000000000000 0.96563551568994 0.87500000000000 15.999 > 23 25 O 0.11433637858267 0.05421529515138 0.28550413912965 15.999 > 25 26 O 0.11433637858267 0.05421529515138 0.78550413912965 15.999 > 25 27 O 0.88566362141733 0.05421529515138 0.46449586087035 15.999 > 27 28 O 0.88566362141733 0.05421529515138 0.96449586087035 15.999 > 27 29 O 0.19280814844865 0.55654061385473 0.03716910440911 15.999 > 1 30 O 0.19280814844865 0.55654061385473 0.53716910440911 15.999 > 1 31 O 0.80719185155135 0.55654061385473 0.21283089559089 15.999 > 3 32 O 0.80719185155135 0.55654061385473 0.71283089559089 15.999 > 3 33 O 0.80719185155135 0.44345938614527 0.46283089559089 15.999 > 5 34 O 0.80719185155135 0.44345938614527 0.96283089559089 15.999 > 5 35 O 0.19280814844865 0.44345938614527 0.28716910440911 15.999 > 7 36 O 0.19280814844865 0.44345938614527 0.78716910440911 15.999 > 7 37 O 0.11750451909673 0.74612339870099 0.32236007291975 15.999 > 9 38 O 0.11750451909673 0.74612339870099 0.82236007291975 15.999 > 9 39 O 0.88249548090327 0.74612339870099 0.42763992708025 15.999 > 11 40 O 0.88249548090327 0.74612339870099 0.92763992708025 15.999 > 11 41 O 0.88249548090327 0.25387660129901 0.17763992708025 15.999 > 13 42 O 0.88249548090327 0.25387660129901 0.67763992708025 15.999 > 13 43 O 0.11750451909673 0.25387660129901 0.07236007291975 15.999 > 15 44 O 0.11750451909673 0.25387660129901 0.57236007291975 15.999 > 15 45 O 0.61433637858267 0.44578470484862 0.03550413912965 15.999 > 17 46 O 0.61433637858267 0.44578470484862 0.53550413912965 15.999 > 17 47 O 0.38566362141733 0.44578470484862 0.21449586087035 15.999 > 19 48 O 0.38566362141733 0.44578470484862 0.71449586087035 15.999 > 19 49 O 0.00000000000000 0.53436448431006 0.12500000000000 15.999 > 21 50 O 0.00000000000000 0.53436448431006 0.62500000000000 15.999 > 21 51 O 0.00000000000000 0.46563551568994 0.37500000000000 15.999 > 23 52 O 0.00000000000000 0.46563551568994 0.87500000000000 15.999 > 23 53 O 0.61433637858267 0.55421529515138 0.28550413912965 15.999 > 25 54 O 0.61433637858267 0.55421529515138 0.78550413912965 15.999 > 25 55 O 0.38566362141733 0.55421529515138 0.46449586087035 15.999 > 27 56 O 0.38566362141733 0.55421529515138 0.96449586087035 15.999 > 27 57 Al 0.61910823685282 0.05926357684569 0.36708710763246 26.982 > 57 58 Al 0.61910823685282 0.05926357684569 0.86708710763246 26.982 > 57 59 Al 0.38089176314718 0.05926357684569 0.38291289236754 26.982 > 59 60 Al 0.38089176314718 0.05926357684569 0.88291289236754 26.982 > 59 61 Al 0.38089176314718 0.94073642315431 0.13291289236754 26.982 > 61 62 Al 0.38089176314718 0.94073642315431 0.63291289236754 26.982 > 61 63 Al 0.61910823685282 0.94073642315431 0.11708710763246 26.982 > 63 64 Al 0.61910823685282 0.94073642315431 0.61708710763246 26.982 > 63 65 Al 0.16300547354887 0.91354570297477 0.40304988366004 26.982 > 65 66 Al 0.16300547354887 0.91354570297477 0.90304988366004 26.982 > 65 67 Al 0.83699452645113 0.91354570297477 0.34695011633996 26.982 > 67 68 Al 0.83699452645113 0.91354570297477 0.84695011633996 26.982 > 67 69 Al 0.83699452645113 0.08645429702523 0.09695011633996 26.982 > 69 70 Al 0.83699452645113 0.08645429702523 0.59695011633996 26.982 > 69 71 Al 0.16300547354887 0.08645429702523 0.15304988366004 26.982 > 71 72 Al 0.16300547354887 0.08645429702523 0.65304988366004 26.982 > 71 73 Al 0.11910823685282 0.55926357684569 0.36708710763246 26.982 > 57 74 Al 0.11910823685282 0.55926357684569 0.86708710763246 26.982 > 57 75 Al 0.88089176314718 0.55926357684569 0.38291289236754 26.982 > 59 76 Al 0.88089176314718 0.55926357684569 0.88291289236754 26.982 > 59 77 Al 0.88089176314718 0.44073642315431 0.13291289236754 26.982 > 61 78 Al 0.88089176314718 0.44073642315431 0.63291289236754 26.982 > 61 79 Al 0.11910823685282 0.44073642315431 0.11708710763246 26.982 > 63 80 Al 0.11910823685282 0.44073642315431 0.61708710763246 26.982 > 63 81 Al 0.66300547354887 0.41354570297477 0.40304988366004 26.982 > 65 82 Al 0.66300547354887 0.41354570297477 0.90304988366004 26.982 > 65 83 Al 0.33699452645113 0.41354570297477 0.34695011633996 26.982 > 67 84 Al 0.33699452645113 0.41354570297477 0.84695011633996 26.982 > 67 85 Al 0.33699452645113 0.58645429702523 0.09695011633996 26.982 > 69 86 Al 0.33699452645113 0.58645429702523 0.59695011633996 26.982 > 69 87 Al 0.66300547354887 0.58645429702523 0.15304988366004 26.982 > 71 88 Al 0.66300547354887 0.58645429702523 0.65304988366004 26.982 > 71 89 Ca 0.50000000000000 0.69068807853327 0.37500000000000 40.078 > 89 90 Ca 0.50000000000000 0.69068807853327 0.87500000000000 40.078 > 89 91 Ca 0.50000000000000 0.30931192146672 0.12500000000000 40.078 > 91 92 Ca 0.50000000000000 0.30931192146672 0.62500000000000 40.078 > 91 93 Ca 0.00000000000000 0.19068807853327 0.37500000000000 40.078 > 89 94 Ca 0.00000000000000 0.19068807853327 0.87500000000000 40.078 > 89 95 Ca 0.00000000000000 0.80931192146673 0.12500000000000 40.078 > 91 96 Ca 0.00000000000000 0.80931192146673 0.62500000000000 40.078 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8236744 0.0000000 0.0423801 0.0000000 2.8106790 0.0000000 0.0423809 0.0000000 2.9441615 -------------------------- Born effective charges -------------------------- 1 O -2.0971854 -0.2994351 -0.1622817 -0.2694008 -1.3513126 0.1744069 -0.1908723 0.1435087 -1.9864613 2 O -2.0971854 0.2994351 -0.1622817 0.2694008 -1.3513126 -0.1744069 -0.1908723 -0.1435087 -1.9864613 3 O -2.0971854 -0.2994351 -0.1622817 -0.2694008 -1.3513126 0.1744069 -0.1908723 0.1435087 -1.9864613 4 O -2.0971854 0.2994351 -0.1622817 0.2694008 -1.3513126 -0.1744069 -0.1908723 -0.1435087 -1.9864613 5 O -1.3009145 -0.0974810 -0.2105540 -0.1222827 -2.3162358 -0.0118002 -0.2210091 -0.0310120 -1.8013218 6 O -1.3009145 0.0974810 -0.2105540 0.1222827 -2.3162358 0.0118002 -0.2210091 0.0310120 -1.8013218 7 O -1.3009145 -0.0974810 -0.2105540 -0.1222827 -2.3162358 -0.0118002 -0.2210091 -0.0310120 -1.8013218 8 O -1.3009145 0.0974810 -0.2105540 0.1222827 -2.3162358 0.0118002 -0.2210091 0.0310120 -1.8013218 9 O -1.7575648 -0.0880195 0.2656968 -0.0900559 -1.6329320 -0.2143051 0.2625161 -0.2069526 -2.0181257 10 O -1.7575648 0.0880195 0.2656968 0.0900559 -1.6329320 0.2143051 0.2625161 0.2069526 -2.0181257 11 O -2.0400663 0.0000000 -0.0865949 0.0000000 -1.6785976 0.0000000 -0.0130023 0.0000000 -1.9061610 12 O -2.0400663 0.0000000 -0.0865949 0.0000000 -1.6785976 0.0000000 -0.0130023 0.0000000 -1.9061610 13 O -1.7575648 0.0880195 0.2656968 0.0900559 -1.6329320 0.2143051 0.2625161 0.2069526 -2.0181257 14 O -1.7575648 -0.0880195 0.2656968 -0.0900559 -1.6329320 -0.2143051 0.2625161 -0.2069526 -2.0181257 15 Al 2.6099490 0.0224130 0.0502095 0.0345288 2.4769441 -0.0131709 0.0304191 0.0482747 2.8514146 16 Al 2.6099490 -0.0224130 0.0502095 -0.0345288 2.4769441 0.0131709 0.0304191 -0.0482747 2.8514146 17 Al 2.6099490 0.0224130 0.0502095 0.0345288 2.4769441 -0.0131709 0.0304191 0.0482747 2.8514146 18 Al 2.6099490 -0.0224130 0.0502095 -0.0345288 2.4769441 0.0131709 0.0304191 -0.0482747 2.8514146 19 Al 2.5042689 0.1242606 0.0669016 0.0979084 2.4634447 0.1141410 0.0887505 0.0454099 2.6435478 20 Al 2.5042689 -0.1242606 0.0669016 -0.0979084 2.4634447 -0.1141410 0.0887505 -0.0454099 2.6435478 21 Al 2.5042689 0.1242606 0.0669016 0.0979084 2.4634447 0.1141410 0.0887505 0.0454099 2.6435478 22 Al 2.5042689 -0.1242606 0.0669016 -0.0979084 2.4634447 -0.1141410 0.0887505 -0.0454099 2.6435478 23 Ca 2.1229602 0.0000000 0.0666507 0.0000000 2.3987808 0.0000000 0.0733937 0.0000000 2.5280537 24 Ca 2.1229602 0.0000000 0.0666507 0.0000000 2.3987808 0.0000000 0.0733937 0.0000000 2.5280537 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) 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 ... [ 7 7 10 ] 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: 0.62, Number of G-points: 321, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 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 2.075 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.317 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.867 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 5.197 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 6.340 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 7.180 ( 0.000 0.000 0.000) 0.000 7.229 ( 0.000 0.000 0.000) 0.000 7.426 ( 0.000 0.000 0.000) 0.000 7.446 ( 0.000 0.000 0.000) 0.000 7.901 ( 0.000 0.000 0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 8.812 ( 0.000 0.000 0.000) 0.000 8.976 ( 0.000 0.000 0.000) 0.000 9.312 ( 0.000 0.000 0.000) 0.000 9.410 ( 0.000 0.000 0.000) 0.000 9.490 ( 0.000 0.000 0.000) 0.000 9.794 ( 0.000 0.000 0.000) 0.000 10.075 ( 0.000 0.000 0.000) 0.000 10.247 ( 0.000 0.000 0.000) 0.000 10.271 ( 0.000 0.000 0.000) 0.000 11.188 ( 0.000 0.000 0.000) 0.000 11.999 ( 0.000 0.000 0.000) 0.000 12.000 ( 0.000 0.000 0.000) 0.000 12.155 ( 0.000 0.000 0.000) 0.000 12.330 ( 0.000 0.000 0.000) 0.000 12.774 ( 0.000 0.000 0.000) 0.000 12.946 ( 0.000 0.000 0.000) 0.000 13.036 ( 0.000 0.000 0.000) 0.000 13.202 ( 0.000 0.000 0.000) 0.000 15.489 ( 0.000 0.000 0.000) 0.000 16.197 ( 0.000 0.000 0.000) 0.000 16.349 ( 0.000 0.000 0.000) 0.000 16.619 ( 0.000 0.000 0.000) 0.000 17.327 ( 0.000 0.000 0.000) 0.000 18.370 ( 0.000 0.000 0.000) 0.000 18.695 ( 0.000 0.000 0.000) 0.000 19.143 ( 0.000 0.000 0.000) 0.000 19.326 ( 0.000 0.000 0.000) 0.000 19.352 ( 0.000 0.000 0.000) 0.000 19.687 ( 0.000 0.000 0.000) 0.000 19.828 ( 0.000 0.000 0.000) 0.000 20.275 ( 0.000 0.000 0.000) 0.000 20.288 ( 0.000 0.000 0.000) 0.000 20.956 ( 0.000 0.000 0.000) 0.000 21.757 ( 0.000 0.000 0.000) 0.000 22.174 ( 0.000 0.000 0.000) 0.000 22.469 ( 0.000 0.000 0.000) 0.000 22.504 ( 0.000 0.000 0.000) 0.000 23.513 ( 0.000 0.000 0.000) 0.000 23.611 ( 0.000 0.000 0.000) 0.000 23.968 ( 0.000 0.000 0.000) 0.000 23.968 ( 0.000 0.000 0.000) 0.000 24.807 ( 0.000 0.000 0.000) 0.000 24.990 ( 0.000 0.000 0.000) 0.000 25.082 ( 0.000 0.000 0.000) 0.000 26.642 ( 0.000 0.000 0.000) 0.000 26.704 ( 0.000 0.000 0.000) 0.000 27.786 ( 0.000 0.000 0.000) 0.000 27.788 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 23.362 -26.145 -9.643) 36.364 0.920 ( 30.814 -32.150 12.870) 46.355 1.570 ( 27.165 -72.536 17.415) 79.389 2.479 ( 10.357 27.091 88.195) 92.842 3.195 ( 4.395 -9.828 5.652) 12.160 3.308 ( -5.518 -1.196 1.049) 5.742 3.777 ( -4.390 7.043 12.331) 14.863 3.905 ( 11.555 3.857 0.266) 12.184 4.739 ( 1.088 3.217 -6.183) 7.055 4.766 ( -17.818 4.779 -2.134) 18.571 5.163 ( -28.007 3.701 2.597) 28.370 5.365 ( -3.872 -2.290 -1.622) 4.782 5.534 ( 7.717 6.061 6.673) 11.867 5.714 ( -2.165 -2.153 -2.740) 4.103 5.736 ( -6.502 0.726 -1.395) 6.689 6.166 ( 4.681 -4.871 0.442) 6.771 6.410 ( 1.566 5.013 8.591) 10.069 6.583 ( 2.174 -3.264 8.639) 9.487 7.076 ( -3.225 9.967 -1.858) 10.639 7.258 ( 1.754 10.399 -5.428) 11.861 7.426 ( -4.291 -9.492 3.011) 10.844 7.490 ( 1.719 -6.112 -7.105) 9.529 8.138 ( -0.349 5.934 3.081) 6.695 8.261 ( 27.528 8.525 -11.693) 31.100 8.796 ( -14.296 4.974 -11.760) 19.168 8.946 ( 1.994 4.305 1.875) 5.101 9.265 ( 8.950 4.876 -5.052) 11.375 9.475 ( -2.389 -2.226 3.396) 4.711 9.550 ( 11.139 7.915 0.227) 13.667 9.857 ( 2.788 -0.367 12.051) 12.374 10.168 ( 3.408 -7.781 3.006) 9.011 10.330 ( 3.850 -6.762 -7.079) 10.519 10.416 ( -0.039 -12.193 2.489) 12.445 11.152 ( -4.087 4.321 -0.122) 5.949 11.923 ( -7.887 4.050 -1.643) 9.017 12.025 ( -7.105 -5.326 0.920) 8.928 12.170 ( 3.035 8.299 13.278) 15.950 12.266 ( -0.965 1.005 -18.282) 18.335 12.612 ( -6.880 13.069 -3.414) 15.159 13.072 ( 10.655 9.504 17.027) 22.221 13.143 ( -14.315 -12.147 -1.515) 18.835 13.366 ( 7.132 -10.571 3.775) 13.299 15.771 ( -18.194 -18.951 -10.428) 28.265 16.346 ( -2.664 10.885 10.835) 15.587 16.399 ( 0.321 2.504 3.963) 4.699 17.178 ( 39.907 3.915 20.879) 45.209 17.311 ( -0.993 6.443 11.357) 13.095 18.332 ( -0.994 2.226 -5.234) 5.774 18.669 ( 1.211 3.780 -10.650) 11.365 19.092 ( 1.283 5.856 0.066) 5.995 19.288 ( -1.033 3.308 -4.911) 6.010 19.640 ( -0.670 -0.199 -12.578) 12.598 19.699 ( -11.971 -13.676 -10.962) 21.225 19.957 ( -10.565 -1.648 35.789) 37.352 20.130 ( 0.004 8.615 2.603) 9.000 20.441 ( -0.574 -8.423 3.782) 9.251 20.976 ( 0.569 -1.931 0.014) 2.014 21.755 ( -12.047 0.405 -3.737) 12.620 22.200 ( -4.116 -3.787 0.089) 5.594 22.465 ( 2.103 2.298 0.853) 3.230 23.395 ( 62.340 44.215 5.540) 76.629 23.609 ( 23.364 7.355 2.394) 24.611 23.614 ( -0.100 -0.199 0.865) 0.894 23.977 ( -1.249 -1.340 2.546) 3.136 23.978 ( -0.008 -1.172 0.086) 1.175 24.839 ( -2.763 9.097 1.497) 9.624 25.104 ( 8.119 2.897 1.433) 8.739 25.196 ( 5.738 -3.028 -3.732) 7.485 26.713 ( 0.175 -1.200 0.059) 1.215 27.559 ( -17.324 1.272 -6.536) 18.560 28.002 ( 17.510 -0.374 5.326) 18.306 28.973 ( -66.338 -46.207 -25.328) 84.719 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 24.435 -25.541 -8.274) 36.303 1.768 ( 23.637 -27.136 18.691) 40.552 2.470 ( 8.630 7.606 20.101) 23.159 2.930 ( 14.089 -41.009 6.293) 43.816 3.175 ( -10.487 -6.588 5.380) 13.503 3.396 ( 0.937 -1.668 7.439) 7.681 3.738 ( 5.411 -2.261 13.978) 15.159 3.998 ( 5.581 -4.235 -1.200) 7.108 4.469 ( -22.670 4.491 5.527) 23.763 4.718 ( 7.242 -1.162 -10.651) 12.933 4.822 ( -25.127 -0.272 5.369) 25.696 5.271 ( -4.241 9.314 -5.103) 11.436 5.449 ( 5.250 11.147 5.801) 13.619 5.727 ( 5.672 0.854 -1.745) 5.995 5.773 ( -1.539 -7.126 2.305) 7.646 6.203 ( -7.642 7.733 -4.739) 11.860 6.336 ( 5.751 -0.985 6.937) 9.064 6.643 ( -0.966 5.067 5.830) 7.784 6.964 ( 2.991 3.969 -8.273) 9.651 7.028 ( 5.651 15.063 -5.145) 16.891 7.444 ( -5.936 -4.683 -2.999) 8.133 7.710 ( 0.944 -8.370 -0.332) 8.430 7.942 ( -7.434 9.658 -0.639) 12.205 8.320 ( 7.734 7.688 -3.806) 11.550 8.522 ( -5.913 1.357 -11.176) 12.716 8.975 ( 2.171 -1.181 2.484) 3.504 9.303 ( 12.983 4.851 -7.900) 15.953 9.388 ( -1.798 14.297 5.388) 15.384 9.581 ( 9.580 -2.253 0.675) 9.864 9.914 ( -6.674 -3.580 13.084) 15.118 10.393 ( -1.964 -14.589 6.810) 16.219 10.511 ( 10.530 -8.538 -12.420) 18.386 10.669 ( 7.732 -10.961 8.303) 15.776 11.078 ( -1.812 1.001 2.536) 3.273 11.693 ( -11.151 9.647 -0.661) 14.759 11.942 ( -12.049 4.434 -1.921) 12.982 12.048 ( -1.827 5.174 -5.341) 7.657 12.198 ( 0.009 1.506 -6.409) 6.584 12.449 ( -0.148 1.856 -1.796) 2.587 13.017 ( 3.462 8.207 0.984) 8.962 13.217 ( -3.896 -5.610 9.039) 11.329 13.601 ( 2.209 -10.045 2.381) 10.557 15.872 ( -8.143 -14.706 -5.429) 17.665 16.166 ( 0.780 10.755 8.564) 13.770 16.470 ( 1.559 -5.478 -0.681) 5.736 17.106 ( -6.439 11.780 5.451) 14.489 17.691 ( 30.836 -3.501 13.568) 33.870 18.284 ( 0.622 -0.419 -3.324) 3.407 18.564 ( -3.603 2.690 -7.550) 8.788 19.031 ( 1.445 3.783 1.185) 4.220 19.151 ( -3.684 7.550 -8.482) 11.938 19.590 ( 0.507 1.282 -7.254) 7.383 19.745 ( -9.980 -8.338 1.385) 13.078 19.943 ( -0.853 3.884 4.585) 6.069 20.072 ( -0.629 0.389 7.008) 7.047 20.566 ( -0.645 -5.922 7.053) 9.232 21.019 ( 0.496 -2.147 -0.700) 2.312 21.564 ( -8.400 5.957 -5.363) 11.611 22.223 ( -3.003 -3.783 0.241) 4.836 22.446 ( 2.335 3.519 1.289) 4.416 23.413 ( 20.711 12.937 0.952) 24.438 23.622 ( 0.023 -0.379 1.442) 1.491 23.764 ( 13.897 0.592 0.176) 13.910 23.993 ( -2.896 -1.411 6.691) 7.426 24.010 ( 0.457 -3.285 -4.459) 5.557 24.680 ( 0.626 9.320 1.299) 9.431 25.145 ( 5.862 1.766 0.081) 6.122 25.286 ( 2.454 -2.756 -0.270) 3.700 26.754 ( 1.542 -2.929 0.480) 3.344 27.318 ( -15.136 3.559 -5.362) 16.447 28.224 ( 18.142 -0.210 5.974) 19.101 28.857 ( -34.285 -17.222 -12.893) 40.476 ======================= Grid point 3 (4/144) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 24.386 -22.437 -12.557) 35.437 2.246 ( -0.853 -3.459 34.122) 34.307 2.625 ( -17.801 19.326 -12.191) 28.965 2.735 ( 20.462 -19.683 -7.671) 29.410 3.212 ( -9.424 16.488 8.665) 20.875 3.768 ( 2.688 -10.487 -0.712) 10.850 3.929 ( 7.075 -0.377 7.018) 9.973 4.180 ( -4.430 -9.073 0.018) 10.097 4.333 ( -5.886 -17.389 7.417) 19.800 4.631 ( -15.049 1.403 4.659) 15.816 4.895 ( 5.761 -5.859 -2.565) 8.608 5.040 ( 3.311 8.758 -6.716) 11.522 5.476 ( 13.595 -2.361 7.275) 15.599 5.750 ( 3.309 2.140 -5.040) 6.398 5.801 ( -5.082 1.497 0.963) 5.385 6.022 ( -4.497 -2.727 -1.480) 5.464 6.318 ( -5.684 21.375 -0.505) 22.123 6.579 ( 6.446 -6.146 10.379) 13.677 6.797 ( -8.353 1.108 -14.602) 16.859 6.972 ( 4.503 7.391 1.945) 8.870 7.434 ( -6.605 -5.823 -7.086) 11.303 7.509 ( 2.815 16.575 5.732) 17.763 8.020 ( -3.769 -12.860 -4.603) 14.169 8.237 ( 1.178 5.759 3.907) 7.058 8.547 ( 4.276 -4.005 -6.986) 9.118 8.950 ( -6.024 2.014 4.049) 7.533 9.143 ( 2.688 11.088 -3.098) 11.822 9.377 ( 8.205 1.107 -2.629) 8.687 9.715 ( 0.246 -2.732 3.341) 4.323 9.950 ( -0.697 -2.923 6.329) 7.006 10.557 ( -1.146 -5.190 8.004) 9.608 10.689 ( 5.177 -4.326 -10.338) 12.344 10.957 ( 8.899 -7.563 -3.601) 12.221 11.068 ( -3.104 -2.454 6.956) 8.003 11.422 ( -7.413 9.544 4.147) 12.777 11.729 ( -5.730 3.306 -6.656) 9.385 11.974 ( -1.061 1.401 -1.483) 2.299 12.165 ( -0.035 1.003 -0.432) 1.093 12.438 ( -0.555 -0.422 -1.609) 1.754 12.942 ( 1.176 3.515 -0.375) 3.725 13.270 ( -1.039 -1.710 3.379) 3.927 13.735 ( 0.422 -3.817 1.064) 3.985 15.996 ( -10.326 -14.788 -6.153) 19.057 16.072 ( 9.508 12.192 7.472) 17.172 16.603 ( 2.994 -8.907 -2.147) 9.639 16.843 ( -5.918 12.860 4.046) 14.723 17.962 ( 8.493 0.653 1.571) 8.661 18.387 ( 6.932 -0.414 3.090) 7.601 18.538 ( 1.477 -9.421 1.387) 9.636 18.854 ( -9.421 11.438 -8.000) 16.840 19.057 ( 1.798 0.823 -0.966) 2.201 19.569 ( 0.715 0.075 -3.640) 3.710 19.747 ( -5.483 -2.116 4.158) 7.199 19.903 ( 1.566 1.805 -1.528) 2.836 20.091 ( -0.569 -0.656 2.446) 2.595 20.662 ( 0.183 -2.922 4.950) 5.751 21.036 ( -0.390 -0.407 -1.244) 1.366 21.395 ( -3.205 3.447 -2.967) 5.564 22.249 ( -1.350 -2.061 0.052) 2.464 22.421 ( 1.112 2.008 0.690) 2.397 23.431 ( 5.542 3.222 -0.086) 6.411 23.632 ( 0.004 -0.281 0.832) 0.879 23.872 ( 5.672 -0.055 -1.149) 5.787 24.000 ( -2.083 -0.793 3.489) 4.140 24.052 ( -0.343 -2.572 -1.871) 3.200 24.578 ( 1.084 4.505 0.778) 4.698 25.174 ( 2.173 0.437 0.037) 2.216 25.333 ( 0.897 -0.795 0.080) 1.202 26.847 ( 3.852 -3.799 1.246) 5.551 27.095 ( -9.225 4.180 -3.154) 10.608 28.443 ( 17.807 1.184 6.172) 18.884 28.689 ( -22.085 -6.115 -8.067) 24.294 ======================= Grid point 8 (5/144) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 32.084 -0.000 -17.198) 36.403 0.819 ( 29.512 -0.000 24.812) 38.557 1.844 ( 72.036 -0.000 29.907) 77.998 2.907 ( -26.377 0.000 57.589) 63.342 3.172 ( 4.618 -0.000 7.680) 8.962 3.210 ( -11.776 0.000 -0.197) 11.778 3.840 ( -4.031 0.000 14.722) 15.264 4.217 ( 3.451 -0.000 26.800) 27.021 4.452 ( -16.495 0.000 -5.363) 17.345 4.762 ( -43.288 0.000 -1.727) 43.322 4.812 ( 0.660 -0.000 -0.740) 0.992 5.264 ( -7.121 0.000 0.186) 7.123 5.637 ( 3.475 -0.000 -7.870) 8.604 5.734 ( -0.178 0.000 2.617) 2.623 5.834 ( 18.899 -0.000 21.009) 28.259 6.311 ( 19.844 -0.000 -12.006) 23.193 6.378 ( -8.011 0.000 -2.223) 8.314 6.519 ( -8.476 0.000 12.210) 14.863 7.143 ( -4.403 0.000 -6.666) 7.989 7.218 ( 1.843 -0.000 6.043) 6.318 7.394 ( 3.993 -0.000 -17.221) 17.678 7.411 ( 1.150 -0.000 -5.261) 5.385 8.173 ( -2.328 0.000 -2.363) 3.317 8.544 ( -14.687 0.000 -13.379) 19.867 8.762 ( 15.142 -0.000 -0.414) 15.148 9.059 ( -0.253 0.000 3.277) 3.287 9.360 ( 9.763 -0.000 -6.968) 11.995 9.387 ( -6.066 0.000 4.608) 7.618 9.682 ( -4.639 0.000 7.126) 8.503 9.952 ( -0.052 0.000 15.522) 15.522 10.196 ( 5.650 -0.000 -4.678) 7.335 10.276 ( 2.348 -0.000 11.473) 11.711 10.337 ( 16.143 -0.000 -20.894) 26.403 11.186 ( 2.804 -0.000 4.618) 5.402 11.830 ( -13.288 0.000 -6.688) 14.876 11.884 ( -6.539 0.000 -2.023) 6.844 12.167 ( -1.583 0.000 -23.335) 23.389 12.357 ( -4.539 0.000 22.211) 22.670 12.644 ( -20.761 0.000 -8.953) 22.610 12.818 ( -2.448 0.000 1.604) 2.926 13.163 ( 6.607 -0.000 10.480) 12.389 13.465 ( 5.036 -0.000 4.415) 6.697 15.558 ( 5.233 -0.000 3.221) 6.145 16.374 ( 2.266 -0.000 0.771) 2.393 16.468 ( -13.282 0.000 16.821) 21.433 17.307 ( -4.472 0.000 6.555) 7.936 17.690 ( 13.582 -0.000 28.574) 31.638 18.298 ( -2.232 0.000 -10.488) 10.723 18.687 ( -0.115 0.000 -21.839) 21.839 19.165 ( 1.889 -0.000 -0.749) 2.032 19.326 ( -0.209 0.000 0.817) 0.843 19.354 ( 0.148 -0.000 -1.010) 1.021 19.644 ( -0.695 0.000 -8.843) 8.870 19.950 ( -7.116 0.000 25.382) 26.361 20.223 ( -4.667 0.000 -2.016) 5.084 20.376 ( 4.129 -0.000 14.146) 14.736 20.963 ( 0.015 -0.000 2.245) 2.245 21.675 ( -4.734 0.000 -6.889) 8.359 22.148 ( -2.311 0.000 0.461) 2.356 22.518 ( 3.583 -0.000 0.361) 3.601 23.398 ( -9.431 0.000 -2.182) 9.680 23.611 ( -1.007 0.000 2.986) 3.151 23.958 ( -0.057 0.000 -2.451) 2.452 23.968 ( -0.083 0.000 0.168) 0.188 24.727 ( -3.520 0.000 -3.006) 4.628 25.043 ( 1.758 -0.000 12.293) 12.418 25.124 ( 8.023 -0.000 3.078) 8.593 26.394 ( 6.408 -0.000 -38.480) 39.010 26.639 ( -0.281 0.000 0.121) 0.306 26.709 ( 0.746 -0.000 -0.970) 1.224 27.380 ( -15.491 0.000 -3.871) 15.967 28.247 ( 16.082 -0.000 9.428) 18.642 ======================= Grid point 9 (6/144) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 28.351 -22.439 -18.931) 40.812 1.578 ( 21.734 -34.005 18.278) 44.303 2.659 ( -7.354 6.442 30.138) 31.684 2.884 ( 31.693 -10.015 13.706) 35.953 3.034 ( -0.922 -3.648 8.402) 9.206 3.348 ( 0.517 -10.484 9.298) 14.023 3.811 ( -1.048 2.774 12.562) 12.907 4.095 ( -0.350 9.014 -0.128) 9.021 4.286 ( -29.873 6.799 3.648) 30.853 4.495 ( -5.499 -7.720 11.152) 14.636 4.822 ( 4.001 0.089 -1.579) 4.303 5.226 ( -6.622 -4.254 -0.596) 7.893 5.602 ( -1.446 2.738 -5.818) 6.591 5.755 ( 1.386 -0.971 3.748) 4.113 5.979 ( 15.990 14.402 5.304) 22.164 6.210 ( -6.127 4.608 -2.825) 8.170 6.308 ( -3.731 0.042 -7.513) 8.389 6.683 ( 5.396 -8.499 -0.273) 10.071 7.007 ( -2.301 8.751 -4.540) 10.124 7.282 ( 2.054 6.653 -13.333) 15.042 7.343 ( 1.723 -3.088 5.229) 6.313 7.481 ( 2.033 -7.347 -3.152) 8.249 8.061 ( -7.398 7.484 -5.894) 12.062 8.348 ( -13.358 -2.691 -15.036) 20.292 8.663 ( 7.234 19.031 11.917) 23.590 9.053 ( 0.697 4.894 5.759) 7.590 9.306 ( -10.012 -1.446 6.794) 12.186 9.551 ( 5.227 2.248 2.345) 6.154 9.663 ( 7.939 -6.533 -7.885) 12.957 9.899 ( -3.887 4.061 2.704) 6.238 10.246 ( 2.034 -3.057 5.432) 6.557 10.462 ( 12.293 -6.842 -6.066) 15.321 10.588 ( 11.312 -12.065 5.476) 17.422 11.218 ( 9.038 6.245 3.366) 11.490 11.627 ( -12.487 2.139 -5.198) 13.694 11.853 ( -7.188 -2.894 0.421) 7.760 12.000 ( -10.551 5.831 -20.264) 23.579 12.207 ( -11.014 -0.295 -1.645) 11.140 12.502 ( 1.812 5.006 6.938) 8.745 12.842 ( -9.062 -6.885 -4.501) 12.238 13.328 ( 3.499 -3.402 12.391) 13.317 13.496 ( 2.104 -2.011 -1.254) 3.169 15.665 ( 3.113 -3.454 2.058) 5.085 16.339 ( -2.353 3.451 10.306) 11.120 16.457 ( 3.022 -1.703 5.689) 6.663 17.211 ( -6.525 6.786 6.037) 11.183 17.939 ( 10.290 -2.353 12.382) 16.270 18.255 ( 1.853 -2.618 -8.205) 8.809 18.571 ( 0.741 5.525 -11.334) 12.631 19.117 ( -0.525 6.302 -0.059) 6.324 19.233 ( 1.598 6.994 -5.293) 8.915 19.478 ( -4.001 -9.272 0.042) 10.099 19.597 ( -1.750 0.183 -5.156) 5.448 19.965 ( -2.754 -0.417 11.383) 11.719 20.117 ( -2.870 3.706 -0.085) 4.688 20.536 ( 4.172 -4.876 14.436) 15.798 20.990 ( 0.444 -1.707 1.563) 2.357 21.552 ( -5.636 4.112 -9.363) 11.677 22.140 ( -2.974 -2.392 0.840) 3.907 22.538 ( 3.422 2.735 0.868) 4.466 23.307 ( -13.051 -5.089 -3.990) 14.565 23.615 ( -1.069 -0.614 3.073) 3.311 23.957 ( -1.022 -0.958 0.176) 1.412 23.971 ( 0.355 -0.593 -1.956) 2.074 24.525 ( 9.875 22.920 -1.070) 24.980 24.940 ( 10.773 19.539 9.994) 24.449 25.263 ( 5.327 -2.337 3.399) 6.738 25.458 ( 16.367 31.069 -8.438) 36.116 26.723 ( 0.589 -2.638 0.313) 2.721 27.188 ( -11.930 0.765 -5.035) 12.972 27.713 ( -28.404 -58.419 -15.660) 66.819 28.465 ( 13.750 -2.402 7.610) 15.898 ======================= Grid point 10 (7/144) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 25.356 -26.162 -22.813) 42.986 2.295 ( 7.960 -13.949 28.325) 32.561 2.501 ( -24.863 6.162 -16.019) 30.211 2.575 ( -14.547 -6.823 16.042) 22.705 3.385 ( -6.826 10.073 8.512) 14.850 3.824 ( 16.206 -2.457 17.266) 23.808 3.887 ( -16.164 -10.705 8.594) 21.207 4.004 ( 12.247 -4.284 -7.009) 14.747 4.124 ( 17.424 -13.272 4.758) 22.414 4.560 ( -0.920 0.677 16.054) 16.094 4.921 ( 8.471 -3.273 -4.065) 9.949 5.197 ( -0.227 3.606 -7.675) 8.483 5.570 ( 4.309 -1.980 2.134) 5.200 5.739 ( -6.384 2.331 -6.001) 9.067 5.905 ( 8.488 9.483 -4.463) 13.486 6.030 ( 1.922 2.562 7.300) 7.972 6.431 ( -2.296 -8.022 0.494) 8.358 6.678 ( -1.956 20.545 -0.494) 20.644 6.711 ( -2.733 6.381 -20.612) 21.749 7.181 ( 4.144 8.460 0.544) 9.436 7.325 ( -5.338 3.107 3.234) 6.972 7.635 ( -12.984 -6.244 -9.190) 17.089 7.806 ( 4.901 2.209 0.711) 5.422 8.268 ( -6.671 -6.472 -7.379) 11.867 8.607 ( 9.596 6.427 14.224) 18.323 8.913 ( -12.844 4.828 7.693) 15.730 9.209 ( -17.423 -0.372 11.694) 20.987 9.418 ( 2.249 12.437 -8.239) 15.087 9.867 ( 5.985 -5.942 -5.543) 10.092 9.905 ( 12.372 1.348 -6.303) 13.951 10.383 ( -0.253 -7.369 7.753) 10.699 10.639 ( 6.424 -4.812 -14.462) 16.541 10.917 ( 6.282 -12.110 9.089) 16.393 11.190 ( 7.761 7.681 -0.635) 10.937 11.498 ( -4.419 5.609 10.194) 12.446 11.686 ( -7.067 2.618 -6.943) 10.247 11.872 ( -5.616 -3.963 -8.309) 10.783 12.188 ( -2.586 -5.146 -1.714) 6.009 12.458 ( 1.862 5.842 6.103) 8.651 12.795 ( -11.830 -4.573 -6.862) 14.420 13.377 ( 5.125 3.637 2.300) 6.692 13.611 ( -2.662 -9.733 2.377) 10.367 15.728 ( -2.253 -3.923 -0.293) 4.534 16.388 ( 9.597 0.433 7.777) 12.360 16.542 ( 4.780 -0.925 5.073) 7.031 17.005 ( -4.860 12.244 3.428) 13.611 17.940 ( -11.000 -0.338 -1.213) 11.071 18.376 ( -4.079 -5.511 -7.178) 9.926 18.557 ( 17.357 1.058 4.429) 17.945 18.935 ( -4.834 10.844 -5.661) 13.153 19.140 ( 3.938 6.278 -2.630) 7.863 19.539 ( 0.557 -4.031 -10.488) 11.249 19.591 ( -7.264 -4.403 10.414) 13.439 19.964 ( 0.649 1.752 1.411) 2.341 20.073 ( -1.791 -0.653 2.100) 2.836 20.695 ( 5.248 -1.892 13.033) 14.177 21.021 ( 0.597 -1.021 -0.053) 1.184 21.399 ( -3.158 3.196 -8.714) 9.804 22.164 ( -2.733 -4.121 0.767) 5.003 22.516 ( 2.904 4.551 1.262) 5.544 23.229 ( -16.142 -6.805 -6.140) 18.563 23.624 ( -0.912 -0.736 1.969) 2.291 23.955 ( -1.257 0.404 2.579) 2.897 23.989 ( 0.346 -2.350 -3.541) 4.264 24.331 ( 14.386 17.287 0.602) 22.498 24.773 ( 7.747 17.391 5.546) 19.829 25.294 ( 6.567 7.878 0.187) 10.257 25.346 ( 2.867 0.634 -0.744) 3.029 26.817 ( 3.138 -5.604 1.271) 6.547 27.045 ( -6.069 1.467 -2.610) 6.768 28.028 ( -26.275 -28.676 -11.616) 40.591 28.682 ( 13.808 -3.229 6.157) 15.459 ======================= Grid point 11 (8/144) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -37.966 11.564 -0.246) 39.689 2.188 ( 9.976 -4.876 -41.835) 43.283 2.470 ( 4.497 -14.836 25.068) 29.474 2.933 ( -11.251 16.845 4.805) 20.819 3.020 ( 3.704 -11.004 16.249) 19.971 3.744 ( -13.178 -5.113 -6.377) 15.507 3.967 ( 5.562 4.059 0.508) 6.904 4.275 ( 7.859 -12.039 0.191) 14.378 4.508 ( 2.476 5.356 14.291) 15.461 4.745 ( 22.511 -6.950 5.702) 24.240 4.984 ( 6.297 5.326 -12.416) 14.905 5.115 ( 10.975 1.281 -6.100) 12.622 5.585 ( -11.130 28.571 -9.243) 32.025 5.697 ( -3.562 2.232 4.377) 6.069 5.811 ( 0.879 -6.269 5.003) 8.069 5.928 ( -2.396 0.266 -0.062) 2.412 6.333 ( 7.593 5.627 3.746) 10.166 6.559 ( 2.867 2.624 -8.880) 9.693 6.702 ( -3.127 -16.474 -1.251) 16.814 7.038 ( 4.228 12.730 -4.426) 14.125 7.230 ( -8.934 -5.101 -1.276) 10.366 7.508 ( -9.784 -3.172 2.298) 10.539 8.001 ( 6.837 -8.113 -3.872) 11.294 8.345 ( 3.812 -4.444 3.921) 7.046 8.592 ( -4.894 11.685 17.683) 21.752 8.829 ( -5.314 -10.684 0.170) 11.933 9.034 ( -13.455 2.081 7.225) 15.414 9.244 ( -4.358 4.392 -1.653) 6.404 9.891 ( 3.447 9.168 -10.427) 14.306 9.986 ( 10.242 0.960 -8.863) 13.579 10.428 ( -6.576 -4.817 -7.237) 10.901 10.684 ( -2.695 -1.775 0.231) 3.235 11.096 ( -2.720 3.276 8.196) 9.236 11.227 ( 14.671 5.157 0.220) 15.553 11.351 ( -0.373 0.474 -4.846) 4.884 11.753 ( 6.614 -6.221 12.259) 15.256 11.876 ( -1.682 -5.430 -6.201) 8.412 12.235 ( 2.773 1.235 2.291) 3.803 12.426 ( -1.879 -0.108 3.402) 3.888 12.710 ( -13.564 -6.523 -6.829) 16.528 13.384 ( 6.152 2.831 -3.606) 7.673 13.708 ( -3.121 -4.583 2.449) 6.062 15.763 ( -5.324 -6.832 -2.951) 9.151 16.484 ( 17.679 13.075 10.326) 24.292 16.678 ( 3.592 -9.397 0.737) 10.087 16.772 ( -0.557 11.318 0.568) 11.346 17.767 ( -21.207 -0.138 -3.774) 21.541 18.336 ( -3.075 0.249 -5.117) 5.975 18.628 ( -3.656 6.971 -2.170) 8.165 18.864 ( 11.133 -4.044 3.187) 12.266 19.080 ( 1.159 4.159 -0.022) 4.318 19.563 ( 0.327 -0.841 -1.653) 1.883 19.653 ( -3.760 -8.444 2.627) 9.610 19.947 ( 1.630 2.193 0.395) 2.761 20.083 ( -0.606 -0.989 0.201) 1.177 20.756 ( 4.204 4.827 2.808) 6.990 21.047 ( 0.908 -0.466 2.129) 2.361 21.379 ( 3.453 -4.103 -2.466) 5.903 22.210 ( -1.997 -4.385 0.279) 4.827 22.475 ( 3.287 4.906 0.749) 5.953 23.108 ( -20.558 -5.718 -6.519) 22.312 23.627 ( -0.781 -0.267 0.468) 0.949 23.934 ( -0.554 2.113 2.364) 3.218 24.019 ( 0.695 -1.621 -3.106) 3.572 24.273 ( 12.316 10.400 2.529) 16.317 24.592 ( 0.029 11.134 1.310) 11.211 25.231 ( 2.425 6.512 0.195) 6.952 25.347 ( 0.259 1.433 0.047) 1.457 26.851 ( -3.005 1.982 -0.844) 3.697 27.126 ( 11.191 -7.911 3.481) 14.140 28.047 ( -23.496 -13.922 -8.903) 28.726 28.927 ( 14.646 -5.130 5.688) 16.528 ======================= Grid point 12 (9/144) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -30.531 14.491 -2.579) 33.894 2.003 ( -2.698 20.786 -17.543) 27.333 2.369 ( -8.819 18.124 -2.412) 20.299 2.962 ( 5.385 -18.848 9.599) 21.827 3.350 ( 5.535 -7.246 10.894) 14.206 3.625 ( -9.375 -0.447 -16.684) 19.142 3.880 ( 8.065 21.407 2.615) 23.025 4.177 ( -2.345 44.990 -7.187) 45.621 4.561 ( 7.136 -8.725 1.659) 11.393 4.656 ( -10.622 7.660 7.259) 14.973 4.997 ( 11.246 -1.888 -6.475) 13.113 5.181 ( -3.468 -8.633 -5.024) 10.574 5.338 ( 18.406 -2.558 2.750) 18.786 5.715 ( -3.804 -2.849 4.751) 6.719 5.903 ( 5.100 2.685 -1.406) 5.932 6.003 ( -8.083 -12.024 -5.272) 15.418 6.304 ( 6.050 3.016 1.462) 6.916 6.581 ( -6.519 -6.660 -2.561) 9.665 6.802 ( 0.573 -0.319 -4.614) 4.661 6.942 ( -3.027 3.130 8.747) 9.771 7.451 ( -1.086 -16.028 -4.412) 16.660 7.506 ( -0.893 -13.331 0.392) 13.366 8.135 ( 8.406 4.454 -1.291) 9.600 8.321 ( -4.139 13.516 11.643) 18.314 8.508 ( 1.634 -8.139 5.226) 9.810 8.908 ( -9.140 -0.341 2.753) 9.552 9.046 ( -5.464 -18.835 1.868) 19.700 9.197 ( -0.516 -1.246 2.785) 3.095 9.645 ( -1.204 13.653 -10.971) 17.556 10.018 ( 5.344 3.042 -7.342) 9.577 10.435 ( -1.158 -3.832 -7.571) 8.564 10.617 ( -5.758 4.353 7.229) 10.216 10.782 ( -6.777 21.872 0.056) 22.897 11.240 ( 8.708 10.113 -0.873) 13.374 11.549 ( 3.750 -16.004 -2.466) 16.621 11.943 ( -0.368 -7.183 3.432) 7.969 12.046 ( 15.397 -5.749 5.225) 17.246 12.244 ( 2.130 1.215 5.625) 6.137 12.394 ( -7.737 -1.690 -1.464) 8.054 12.689 ( -10.984 -10.396 -6.327) 16.393 13.393 ( 6.491 3.687 -3.027) 8.056 13.687 ( -2.585 4.250 0.496) 4.999 15.819 ( -4.742 -8.913 -3.084) 10.557 16.471 ( 18.048 15.853 8.754) 25.567 16.593 ( 4.377 11.070 2.178) 12.101 16.943 ( 3.985 -14.121 -2.616) 14.904 17.397 ( -29.678 7.965 -9.342) 32.117 18.283 ( -1.133 0.731 -0.659) 1.501 18.569 ( 0.280 -1.744 2.513) 3.072 18.975 ( -0.484 -0.581 -2.419) 2.534 19.117 ( 4.079 -4.977 4.601) 7.910 19.577 ( -0.419 -1.244 2.130) 2.502 19.781 ( 0.568 -9.294 -2.576) 9.661 19.932 ( 1.083 2.393 3.032) 4.011 20.079 ( 0.439 1.019 -3.133) 3.323 20.691 ( 3.346 7.443 -2.119) 8.431 21.043 ( -0.999 1.590 1.500) 2.403 21.570 ( 8.905 -8.948 2.338) 12.838 22.258 ( -0.467 -3.367 0.149) 3.402 22.445 ( 4.698 4.309 -0.224) 6.379 22.898 ( -25.600 -2.232 -5.091) 26.197 23.621 ( -0.352 0.138 -0.456) 0.592 23.886 ( 0.587 5.206 1.579) 5.472 24.024 ( 0.919 0.931 -2.362) 2.700 24.196 ( 6.678 15.432 3.155) 17.108 24.521 ( -2.927 -6.627 -1.093) 7.326 25.144 ( -0.585 5.120 0.155) 5.155 25.313 ( -0.563 2.395 -0.103) 2.463 26.781 ( -1.282 2.685 -0.374) 2.999 27.438 ( 17.600 -7.088 5.966) 19.890 27.928 ( -21.069 -6.381 -7.481) 23.251 29.201 ( 13.488 -6.741 5.124) 15.926 ======================= Grid point 13 (10/144) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -0.000 20.943 -0.000) 20.943 1.408 ( -0.000 40.695 -0.000) 40.695 2.142 ( -0.000 5.366 -0.000) 5.366 2.745 ( -0.000 75.569 -0.000) 75.569 3.331 ( 0.000 -0.838 0.000) 0.838 3.348 ( -0.000 11.182 -0.000) 11.182 3.636 ( 0.000 -8.523 0.000) 8.523 3.883 ( -0.000 4.224 -0.000) 4.224 4.628 ( 0.000 -5.768 0.000) 5.768 4.778 ( 0.000 -8.208 0.000) 8.208 5.227 ( 0.000 -11.164 0.000) 11.164 5.251 ( 0.000 -9.058 0.000) 9.058 5.447 ( -0.000 2.102 -0.000) 2.102 5.790 ( 0.000 -3.540 0.000) 3.540 5.836 ( -0.000 6.158 -0.000) 6.158 6.098 ( 0.000 -6.005 0.000) 6.005 6.299 ( 0.000 -0.965 0.000) 0.965 6.615 ( -0.000 0.717 -0.000) 0.717 6.901 ( 0.000 -9.597 0.000) 9.597 6.967 ( 0.000 -13.373 0.000) 13.373 7.476 ( 0.000 -1.801 0.000) 1.801 7.750 ( -0.000 10.105 -0.000) 10.105 8.009 ( 0.000 -4.043 0.000) 4.043 8.221 ( -0.000 6.200 -0.000) 6.200 8.745 ( 0.000 -14.403 0.000) 14.403 8.863 ( 0.000 -2.617 0.000) 2.617 9.205 ( -0.000 1.326 -0.000) 1.326 9.296 ( 0.000 -14.336 0.000) 14.336 9.476 ( -0.000 2.544 -0.000) 2.544 9.944 ( -0.000 8.104 -0.000) 8.104 10.366 ( -0.000 20.119 -0.000) 20.119 10.415 ( -0.000 4.636 -0.000) 4.636 10.549 ( -0.000 4.391 -0.000) 4.391 11.150 ( -0.000 3.647 -0.000) 3.647 11.816 ( 0.000 -13.598 0.000) 13.598 12.048 ( 0.000 -4.921 0.000) 4.921 12.181 ( -0.000 5.487 -0.000) 5.487 12.258 ( 0.000 -1.802 0.000) 1.802 12.465 ( 0.000 -13.264 0.000) 13.264 12.757 ( 0.000 -9.935 0.000) 9.935 13.368 ( -0.000 5.081 -0.000) 5.081 13.527 ( -0.000 12.630 -0.000) 12.630 15.943 ( 0.000 -10.433 0.000) 10.433 16.403 ( -0.000 10.296 -0.000) 10.296 16.491 ( -0.000 10.045 -0.000) 10.045 16.939 ( -0.000 14.027 -0.000) 14.027 17.176 ( 0.000 -11.669 0.000) 11.669 18.298 ( 0.000 -2.705 0.000) 2.705 18.631 ( 0.000 -3.576 0.000) 3.576 18.995 ( 0.000 -4.039 0.000) 4.039 19.236 ( 0.000 -5.234 0.000) 5.234 19.611 ( 0.000 -2.544 0.000) 2.544 19.906 ( -0.000 2.817 -0.000) 2.817 19.936 ( 0.000 -8.562 0.000) 8.562 20.043 ( -0.000 1.900 -0.000) 1.900 20.581 ( -0.000 8.374 -0.000) 8.374 21.004 ( -0.000 2.261 -0.000) 2.261 21.795 ( 0.000 -8.926 0.000) 8.926 22.329 ( 0.000 -4.718 0.000) 4.718 22.419 ( -0.000 4.686 -0.000) 4.686 22.645 ( -0.000 4.484 -0.000) 4.484 23.615 ( -0.000 0.198 -0.000) 0.198 23.761 ( -0.000 11.436 -0.000) 11.436 24.002 ( -0.000 1.723 -0.000) 1.723 24.038 ( -0.000 6.760 -0.000) 6.760 24.670 ( 0.000 -11.852 0.000) 11.852 25.073 ( -0.000 2.690 -0.000) 2.690 25.257 ( -0.000 4.127 -0.000) 4.127 26.737 ( -0.000 1.998 -0.000) 1.998 27.737 ( 0.000 -3.910 0.000) 3.910 27.765 ( 0.000 -2.175 0.000) 2.175 29.433 ( 0.000 -7.827 0.000) 7.827 ======================= Grid point 16 (11/144) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 34.098 -0.000 -20.843) 39.964 1.638 ( 29.615 -0.000 21.752) 36.745 2.599 ( -31.295 0.000 -6.053) 31.875 2.683 ( -28.729 0.000 30.512) 41.909 3.236 ( -3.734 0.000 3.094) 4.849 3.607 ( 64.771 -0.000 23.500) 68.902 3.856 ( -2.862 0.000 10.366) 10.754 3.972 ( -17.359 0.000 -3.416) 17.692 4.271 ( -1.925 0.000 4.543) 4.934 4.489 ( 2.504 -0.000 15.057) 15.264 4.851 ( 3.657 -0.000 3.784) 5.262 5.121 ( -3.594 0.000 2.900) 4.618 5.536 ( -4.767 0.000 -9.835) 10.930 5.775 ( 3.271 -0.000 -0.228) 3.279 6.152 ( -12.898 0.000 -20.140) 23.916 6.157 ( -7.834 0.000 -4.329) 8.951 6.359 ( 14.697 -0.000 10.275) 17.932 6.717 ( 14.325 -0.000 -1.161) 14.372 6.979 ( -5.964 0.000 -6.633) 8.920 7.240 ( 0.478 -0.000 -6.209) 6.227 7.440 ( -1.233 0.000 7.781) 7.878 7.534 ( 12.610 -0.000 0.785) 12.634 7.960 ( -12.204 0.000 -15.994) 20.118 8.112 ( -13.077 0.000 -15.224) 20.069 8.887 ( -20.133 0.000 6.072) 21.029 9.028 ( 0.429 -0.000 18.100) 18.105 9.362 ( -3.122 0.000 8.942) 9.472 9.528 ( 4.559 -0.000 6.151) 7.657 9.613 ( 1.838 -0.000 -0.149) 1.844 9.993 ( 8.135 -0.000 0.312) 8.141 10.239 ( 5.277 -0.000 -11.351) 12.518 10.545 ( 6.341 -0.000 17.045) 18.187 10.652 ( 18.007 -0.000 -14.251) 22.964 11.397 ( 5.853 -0.000 -4.832) 7.590 11.515 ( -2.769 0.000 2.944) 4.041 11.737 ( -4.556 0.000 -5.549) 7.180 11.908 ( -8.892 0.000 -21.012) 22.817 11.912 ( -25.471 0.000 1.498) 25.515 12.635 ( 4.913 -0.000 11.781) 12.765 12.706 ( -5.616 0.000 -3.975) 6.880 13.318 ( 0.885 -0.000 6.528) 6.587 13.500 ( -1.552 0.000 -2.614) 3.040 15.752 ( 9.284 -0.000 3.979) 10.101 16.372 ( -4.327 0.000 13.573) 14.246 16.473 ( 4.699 -0.000 5.720) 7.403 17.187 ( -9.413 0.000 2.723) 9.799 17.990 ( -4.139 0.000 4.114) 5.836 18.181 ( -0.767 0.000 -11.715) 11.740 18.661 ( 11.239 -0.000 -3.687) 11.828 19.198 ( 0.529 -0.000 0.677) 0.859 19.343 ( 1.940 -0.000 0.618) 2.036 19.345 ( -0.711 0.000 1.515) 1.674 19.551 ( -1.999 0.000 -9.111) 9.328 19.972 ( -1.375 0.000 8.624) 8.733 20.094 ( -4.851 0.000 -1.897) 5.209 20.616 ( 7.169 -0.000 17.354) 18.776 20.993 ( 1.465 -0.000 1.926) 2.420 21.479 ( -6.628 0.000 -12.466) 14.118 22.088 ( -3.274 0.000 1.216) 3.492 22.601 ( 3.102 -0.000 0.569) 3.154 23.100 ( -14.251 0.000 -3.788) 14.746 23.606 ( -1.461 0.000 3.550) 3.839 23.936 ( -0.795 0.000 -0.907) 1.206 23.967 ( 0.001 -0.000 -0.040) 0.040 24.650 ( -1.698 0.000 -2.386) 2.929 25.217 ( 7.511 -0.000 7.791) 10.822 25.323 ( 7.469 -0.000 2.489) 7.872 26.209 ( -5.248 0.000 -18.914) 19.629 26.633 ( -0.266 0.000 0.093) 0.281 26.722 ( 1.037 -0.000 -1.103) 1.514 27.096 ( -7.976 0.000 -2.386) 8.325 28.613 ( 11.592 -0.000 5.946) 13.028 ======================= Grid point 17 (12/144) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 31.385 -14.288 -24.177) 42.115 2.093 ( -44.993 2.580 -2.823) 45.155 2.217 ( 22.909 -20.639 18.743) 36.085 2.491 ( -18.630 3.116 22.573) 29.433 3.283 ( -8.545 -11.683 -1.300) 14.533 3.733 ( -11.946 11.040 4.438) 16.861 3.887 ( -0.418 -3.201 -0.312) 3.243 4.186 ( 6.121 6.584 1.180) 9.067 4.366 ( 39.997 -1.399 24.585) 46.970 4.644 ( 6.446 -9.183 6.696) 13.066 4.906 ( 4.744 0.940 7.024) 8.528 5.189 ( 6.850 -2.926 0.159) 7.450 5.548 ( -1.722 -10.800 -3.494) 11.481 5.706 ( -3.967 10.553 -8.145) 13.908 5.962 ( -5.431 -1.860 -10.638) 12.088 6.068 ( -0.863 -0.975 -4.613) 4.793 6.423 ( 6.399 6.153 1.991) 9.098 6.825 ( 9.286 6.559 -2.742) 11.695 6.987 ( -1.316 0.851 0.328) 1.601 7.101 ( -6.677 4.338 -12.030) 14.427 7.386 ( -6.265 6.340 11.271) 14.370 7.564 ( -2.196 10.743 -8.903) 14.124 7.802 ( -2.094 -4.678 -4.616) 6.898 8.016 ( -5.401 -7.933 -12.228) 15.545 8.654 ( -23.574 -2.397 4.007) 24.032 8.975 ( -0.733 10.349 20.950) 23.378 9.194 ( -7.369 10.000 11.821) 17.148 9.616 ( 4.318 9.248 -4.715) 11.243 9.757 ( 6.310 -9.210 4.408) 12.003 10.036 ( 11.192 1.691 -4.884) 12.328 10.389 ( 9.419 -7.358 0.137) 11.953 10.617 ( 2.388 2.403 -13.791) 14.201 10.807 ( 2.447 -7.917 0.088) 8.287 11.331 ( 2.257 2.893 -2.205) 4.281 11.595 ( 4.025 1.414 11.989) 12.725 11.599 ( -10.459 2.374 -6.036) 12.306 11.730 ( -4.401 -3.697 -1.757) 6.011 11.917 ( -7.246 -15.091 -10.148) 19.576 12.623 ( -5.506 1.289 -3.629) 6.719 12.662 ( 2.747 6.806 7.564) 10.540 13.404 ( -1.064 -6.851 4.085) 8.047 13.457 ( -2.697 -0.969 -3.923) 4.858 15.797 ( 5.690 6.750 3.083) 9.351 16.398 ( 2.267 -2.971 4.634) 5.952 16.630 ( 6.810 -5.297 12.732) 15.379 17.069 ( -7.294 1.863 -1.900) 7.764 17.818 ( -13.786 6.036 -2.997) 15.345 18.213 ( -1.931 -6.671 -7.531) 10.245 18.788 ( 14.181 2.373 1.384) 14.445 19.069 ( -2.456 12.130 -0.693) 12.396 19.297 ( 4.683 6.519 -1.292) 8.130 19.424 ( -1.458 -4.679 1.845) 5.236 19.522 ( -2.147 -2.408 -3.229) 4.564 19.985 ( -0.220 0.235 2.061) 2.086 20.045 ( -2.382 -0.437 0.797) 2.550 20.780 ( 6.960 -2.199 16.717) 18.241 21.023 ( 1.928 -0.537 0.330) 2.028 21.347 ( -5.883 0.955 -13.047) 14.344 22.080 ( -2.669 -2.697 1.119) 3.956 22.610 ( 2.310 2.639 1.006) 3.648 22.959 ( -13.603 -2.997 -4.499) 14.638 23.607 ( -1.208 -0.672 2.487) 2.845 23.936 ( -0.748 -1.395 -0.136) 1.588 23.966 ( -0.073 0.068 -0.268) 0.286 24.567 ( 0.181 7.099 -2.033) 7.387 25.238 ( 9.038 13.380 7.042) 17.615 25.398 ( 4.428 1.198 2.270) 5.118 25.647 ( 5.200 29.364 -6.938) 30.618 26.741 ( 0.459 -6.845 0.654) 6.892 26.981 ( -3.954 -3.513 -2.938) 6.051 27.203 ( -13.194 -34.530 -6.186) 37.479 28.767 ( 8.709 -3.238 4.149) 10.175 ======================= Grid point 18 (13/144) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -33.083 4.899 -2.507) 33.537 2.091 ( 25.709 -12.531 -37.252) 46.965 2.369 ( -17.362 -5.721 35.380) 39.823 2.841 ( 17.723 -19.563 12.293) 29.119 3.275 ( -4.341 19.171 2.315) 19.792 3.395 ( -19.422 -8.190 -7.895) 22.508 3.962 ( -0.847 -5.114 -0.079) 5.184 4.260 ( 9.252 -1.747 4.790) 10.564 4.659 ( 9.729 -2.102 17.256) 19.920 4.876 ( 1.229 -9.366 -6.868) 11.679 4.971 ( 3.386 2.656 -2.852) 5.163 5.248 ( 6.880 6.870 -7.855) 12.499 5.522 ( 3.409 -0.577 3.060) 4.617 5.774 ( 7.586 -4.201 5.965) 10.524 5.933 ( 1.305 -0.807 -4.549) 4.801 6.296 ( 5.513 18.406 10.285) 21.793 6.328 ( 0.820 -17.461 -1.627) 17.555 6.487 ( -9.842 23.616 -13.153) 28.768 6.749 ( 8.109 11.870 -3.381) 14.768 7.145 ( -10.949 6.553 -3.634) 13.268 7.194 ( -11.440 -9.290 1.159) 14.783 7.282 ( 0.173 11.438 -2.558) 11.722 7.961 ( 8.348 -8.309 -7.230) 13.821 8.147 ( -3.171 -13.516 2.804) 14.164 8.500 ( -18.781 -9.054 3.333) 21.114 8.900 ( 4.106 10.290 12.490) 16.696 9.023 ( -5.744 6.938 10.033) 13.483 9.390 ( 0.444 15.215 -5.586) 16.214 9.946 ( 8.387 -2.073 2.474) 8.987 10.113 ( 3.077 0.679 -7.279) 7.932 10.381 ( -1.487 10.405 -10.675) 14.981 10.611 ( 0.734 -4.768 -0.295) 4.834 10.977 ( -2.024 -14.241 -0.159) 14.385 11.371 ( 1.466 4.738 -0.264) 4.966 11.433 ( 1.798 1.979 -0.854) 2.807 11.742 ( -3.102 -4.679 5.798) 8.070 11.797 ( 9.557 -7.432 9.586) 15.442 12.084 ( -4.191 -14.693 -10.966) 18.807 12.516 ( -6.474 0.671 -3.793) 7.533 12.548 ( 0.392 11.404 4.878) 12.409 13.421 ( 0.480 -0.537 -3.631) 3.702 13.562 ( -2.057 -10.063 2.445) 10.558 15.730 ( 0.905 5.254 0.830) 5.395 16.538 ( 2.692 -9.295 -0.356) 9.683 16.762 ( 3.180 4.310 8.911) 10.397 17.028 ( 10.519 3.039 2.094) 11.147 17.524 ( -20.312 5.140 -5.300) 21.612 18.261 ( -1.574 -4.256 -3.812) 5.927 18.755 ( -0.684 13.903 -0.671) 13.936 18.944 ( 5.117 0.713 0.102) 5.168 19.208 ( 2.394 8.488 -0.055) 8.820 19.502 ( 0.264 -6.550 -2.258) 6.933 19.541 ( -1.968 -2.116 3.231) 4.335 19.974 ( 0.005 0.555 -0.761) 0.942 20.058 ( -0.305 -1.515 1.333) 2.041 20.881 ( 2.941 3.351 6.689) 8.038 21.063 ( 2.099 -0.462 2.080) 2.991 21.299 ( -0.676 -6.122 -6.736) 9.127 22.118 ( -1.462 -4.271 0.460) 4.538 22.591 ( 3.150 3.555 1.531) 4.990 22.845 ( -11.891 -1.847 -4.539) 12.861 23.614 ( -0.706 -0.622 0.958) 1.343 23.953 ( -0.045 0.348 0.946) 1.009 23.971 ( -0.398 -2.619 -0.999) 2.831 24.455 ( 1.495 6.266 -1.165) 6.546 24.993 ( 5.444 26.554 2.943) 27.266 25.388 ( 1.256 3.379 -0.922) 3.721 25.405 ( 2.682 10.467 0.550) 10.819 26.836 ( -1.091 -1.219 -0.123) 1.640 27.096 ( 9.566 -11.978 2.866) 15.595 27.472 ( -17.876 -23.089 -6.957) 30.018 28.942 ( 5.746 -7.151 2.396) 9.481 ======================= Grid point 19 (14/144) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -0.000 9.051 -0.000) 9.051 2.147 ( -0.000 5.381 -0.000) 5.381 2.661 ( 0.000 -23.054 0.000) 23.054 2.769 ( -0.000 31.159 -0.000) 31.159 3.299 ( 0.000 -14.363 0.000) 14.363 3.403 ( 0.000 -8.290 0.000) 8.290 3.988 ( -0.000 1.030 -0.000) 1.030 4.406 ( 0.000 -9.749 0.000) 9.749 4.741 ( -0.000 11.786 -0.000) 11.786 4.885 ( 0.000 -5.680 0.000) 5.680 5.100 ( -0.000 3.268 -0.000) 3.268 5.177 ( -0.000 3.133 -0.000) 3.133 5.454 ( -0.000 40.706 -0.000) 40.706 5.605 ( 0.000 -1.651 0.000) 1.651 5.866 ( 0.000 -3.421 0.000) 3.421 5.980 ( 0.000 -0.045 0.000) 0.045 6.330 ( 0.000 -0.985 0.000) 0.985 6.595 ( -0.000 12.225 -0.000) 12.225 6.768 ( 0.000 -7.938 0.000) 7.938 7.065 ( 0.000 -20.003 0.000) 20.003 7.080 ( -0.000 9.524 -0.000) 9.524 7.317 ( 0.000 -8.346 0.000) 8.346 8.162 ( 0.000 -7.549 0.000) 7.549 8.265 ( 0.000 -8.433 0.000) 8.433 8.677 ( 0.000 -20.591 0.000) 20.591 8.703 ( -0.000 18.785 -0.000) 18.785 8.913 ( -0.000 4.871 -0.000) 4.871 9.224 ( -0.000 4.283 -0.000) 4.283 9.882 ( -0.000 16.942 -0.000) 16.942 10.059 ( -0.000 0.378 -0.000) 0.378 10.330 ( 0.000 -4.956 0.000) 4.956 10.630 ( -0.000 0.898 -0.000) 0.898 11.069 ( -0.000 12.480 -0.000) 12.480 11.314 ( 0.000 -11.502 0.000) 11.502 11.442 ( -0.000 6.037 -0.000) 6.037 11.824 ( 0.000 -7.120 0.000) 7.120 12.081 ( 0.000 -10.888 0.000) 10.888 12.165 ( 0.000 -6.535 0.000) 6.535 12.379 ( -0.000 9.358 -0.000) 9.358 12.503 ( 0.000 -5.057 0.000) 5.057 13.436 ( 0.000 -0.739 0.000) 0.739 13.677 ( 0.000 -4.178 0.000) 4.178 15.700 ( 0.000 -1.948 0.000) 1.948 16.677 ( -0.000 7.709 -0.000) 7.709 16.736 ( 0.000 -13.187 0.000) 13.187 17.038 ( -0.000 20.069 -0.000) 20.069 17.248 ( -0.000 0.678 -0.000) 0.678 18.285 ( 0.000 -0.196 0.000) 0.196 18.577 ( -0.000 4.807 -0.000) 4.807 18.977 ( -0.000 0.084 -0.000) 0.084 19.121 ( -0.000 2.634 -0.000) 2.634 19.560 ( 0.000 -1.092 0.000) 1.092 19.626 ( 0.000 -8.918 0.000) 8.918 19.965 ( -0.000 0.821 -0.000) 0.821 20.078 ( 0.000 -0.693 0.000) 0.693 20.820 ( -0.000 6.324 -0.000) 6.324 21.064 ( -0.000 1.298 -0.000) 1.298 21.454 ( 0.000 -11.229 0.000) 11.229 22.181 ( 0.000 -4.500 0.000) 4.500 22.568 ( -0.000 3.891 -0.000) 3.891 22.748 ( -0.000 1.529 -0.000) 1.529 23.618 ( 0.000 -0.204 0.000) 0.204 23.937 ( -0.000 1.705 -0.000) 1.705 24.015 ( 0.000 -2.243 0.000) 2.243 24.417 ( 0.000 -0.931 0.000) 0.931 24.602 ( -0.000 25.126 -0.000) 25.126 25.263 ( -0.000 8.955 -0.000) 8.955 25.348 ( -0.000 2.365 -0.000) 2.365 26.812 ( -0.000 2.070 -0.000) 2.070 27.460 ( 0.000 -14.122 0.000) 14.122 27.564 ( 0.000 -11.930 0.000) 11.930 29.124 ( 0.000 -10.010 0.000) 10.010 ======================= Grid point 24 (15/144) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -28.080 0.000 -4.651) 28.462 1.797 ( 22.789 -0.000 -15.617) 27.627 2.353 ( -21.611 0.000 18.464) 28.424 2.380 ( 23.814 -0.000 14.428) 27.844 3.036 ( -13.443 0.000 -4.269) 14.105 3.781 ( -3.004 0.000 1.400) 3.314 3.864 ( 1.169 -0.000 -1.274) 1.729 4.278 ( -0.085 0.000 1.354) 1.357 4.506 ( -3.500 0.000 2.688) 4.413 4.915 ( 23.763 -0.000 23.112) 33.149 5.046 ( 7.415 -0.000 8.103) 10.983 5.335 ( -6.164 0.000 -8.018) 10.113 5.340 ( 24.747 -0.000 5.588) 25.370 5.764 ( -5.279 0.000 -18.589) 19.324 5.839 ( 2.413 -0.000 -1.639) 2.918 6.016 ( -2.737 0.000 -2.177) 3.498 6.585 ( -21.943 0.000 -6.413) 22.861 6.633 ( 6.404 -0.000 1.825) 6.659 7.066 ( 10.011 -0.000 0.980) 10.059 7.209 ( -0.159 0.000 -4.561) 4.564 7.418 ( -7.634 0.000 17.980) 19.534 7.535 ( -7.518 0.000 -24.348) 25.482 7.772 ( 4.186 -0.000 6.697) 7.898 7.896 ( 4.915 -0.000 -13.716) 14.570 8.352 ( -25.118 0.000 6.386) 25.917 9.113 ( 0.954 -0.000 10.292) 10.336 9.248 ( -7.561 0.000 2.401) 7.933 9.779 ( 5.943 -0.000 2.083) 6.298 9.788 ( 9.823 -0.000 12.595) 15.973 10.245 ( 10.864 -0.000 2.835) 11.228 10.315 ( 6.444 -0.000 -6.186) 8.933 10.551 ( -8.634 0.000 -8.826) 12.347 10.783 ( 1.633 -0.000 -12.426) 12.533 11.368 ( 1.364 -0.000 7.278) 7.405 11.540 ( -5.635 0.000 3.408) 6.585 11.548 ( -8.471 0.000 -9.713) 12.888 11.653 ( -3.819 0.000 0.568) 3.861 11.752 ( 7.077 -0.000 -1.212) 7.180 12.570 ( -3.211 0.000 -2.443) 4.035 12.805 ( 3.503 -0.000 5.899) 6.861 13.317 ( -1.735 0.000 1.272) 2.151 13.414 ( -2.737 0.000 -2.919) 4.002 15.958 ( 5.775 -0.000 1.089) 5.877 16.429 ( 1.616 -0.000 5.792) 6.013 16.648 ( 5.477 -0.000 10.240) 11.612 16.954 ( -8.755 0.000 -6.388) 10.837 17.759 ( -9.104 0.000 -2.047) 9.331 18.115 ( -0.170 0.000 -4.535) 4.538 18.932 ( 8.185 -0.000 0.300) 8.190 19.186 ( -1.505 0.000 0.585) 1.614 19.361 ( 0.551 -0.000 4.152) 4.188 19.423 ( 3.317 -0.000 1.058) 3.481 19.446 ( -2.162 0.000 -6.441) 6.794 19.983 ( -0.988 0.000 -0.272) 1.025 20.028 ( -0.399 0.000 1.804) 1.848 20.897 ( 6.772 -0.000 15.997) 17.371 21.044 ( 2.505 -0.000 0.229) 2.515 21.225 ( -7.588 0.000 -14.430) 16.303 22.035 ( -1.703 0.000 0.808) 1.885 22.652 ( 1.096 -0.000 0.320) 1.142 22.808 ( -7.753 0.000 -2.157) 8.048 23.597 ( -0.722 0.000 1.504) 1.668 23.917 ( -0.483 0.000 -0.125) 0.499 23.967 ( 0.018 -0.000 -0.056) 0.059 24.617 ( -0.413 0.000 -0.883) 0.974 25.450 ( 7.535 -0.000 5.814) 9.518 25.457 ( 3.010 -0.000 0.935) 3.152 25.949 ( -7.313 0.000 -9.327) 11.853 26.629 ( -0.095 0.000 0.034) 0.101 26.736 ( 0.532 -0.000 -0.455) 0.700 26.981 ( -2.029 0.000 -0.667) 2.136 28.820 ( 4.221 -0.000 2.089) 4.710 ======================= Grid point 25 (16/144) ======================= q-point: (-0.43 -0.57 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -0.000 1.627 -0.000) 1.627 2.049 ( 0.000 -11.509 0.000) 11.509 2.215 ( -0.000 0.997 -0.000) 0.997 2.726 ( 0.000 -16.360 0.000) 16.360 3.009 ( 0.000 -11.117 0.000) 11.117 3.609 ( -0.000 17.967 -0.000) 17.967 3.891 ( 0.000 -2.862 0.000) 2.862 4.308 ( 0.000 -2.093 0.000) 2.093 4.566 ( 0.000 -9.835 0.000) 9.835 4.890 ( -0.000 9.842 -0.000) 9.842 5.074 ( -0.000 5.337 -0.000) 5.337 5.426 ( -0.000 10.593 -0.000) 10.593 5.501 ( 0.000 -12.211 0.000) 12.211 5.829 ( 0.000 -11.645 0.000) 11.645 5.838 ( -0.000 1.367 -0.000) 1.367 6.048 ( 0.000 -8.509 0.000) 8.509 6.358 ( -0.000 2.481 -0.000) 2.481 6.770 ( 0.000 -8.831 0.000) 8.831 6.983 ( -0.000 26.436 -0.000) 26.436 7.102 ( -0.000 3.554 -0.000) 3.554 7.308 ( -0.000 14.696 -0.000) 14.696 7.390 ( -0.000 3.452 -0.000) 3.452 7.851 ( 0.000 -6.498 0.000) 6.498 7.992 ( 0.000 -7.340 0.000) 7.340 8.239 ( 0.000 -5.722 0.000) 5.722 9.096 ( -0.000 8.963 -0.000) 8.963 9.111 ( -0.000 5.215 -0.000) 5.215 9.652 ( -0.000 15.728 -0.000) 15.728 9.977 ( 0.000 -7.554 0.000) 7.554 10.136 ( -0.000 8.609 -0.000) 8.609 10.464 ( 0.000 -0.655 0.000) 0.655 10.657 ( -0.000 8.911 -0.000) 8.911 10.660 ( 0.000 -19.776 0.000) 19.776 11.410 ( 0.000 -2.913 0.000) 2.913 11.444 ( -0.000 3.173 -0.000) 3.173 11.658 ( 0.000 -3.181 0.000) 3.181 11.712 ( 0.000 -17.966 0.000) 17.966 11.824 ( 0.000 -4.141 0.000) 4.141 12.518 ( -0.000 3.246 -0.000) 3.246 12.748 ( -0.000 9.792 -0.000) 9.792 13.392 ( 0.000 -9.079 0.000) 9.079 13.397 ( 0.000 -0.712 0.000) 0.712 15.887 ( -0.000 10.579 -0.000) 10.579 16.450 ( 0.000 -2.894 0.000) 2.894 16.855 ( -0.000 2.716 -0.000) 2.716 16.902 ( 0.000 -17.353 0.000) 17.353 17.590 ( -0.000 12.284 -0.000) 12.284 18.163 ( 0.000 -5.477 0.000) 5.477 18.978 ( -0.000 0.214 -0.000) 0.214 19.015 ( -0.000 16.020 -0.000) 16.020 19.354 ( -0.000 5.818 -0.000) 5.818 19.430 ( 0.000 -1.585 0.000) 1.585 19.480 ( 0.000 -4.748 0.000) 4.748 19.975 ( -0.000 0.086 -0.000) 0.086 20.039 ( 0.000 -1.010 0.000) 1.010 20.963 ( -0.000 2.113 -0.000) 2.113 21.092 ( -0.000 0.493 -0.000) 0.493 21.154 ( 0.000 -5.878 0.000) 5.878 22.052 ( 0.000 -2.871 0.000) 2.871 22.649 ( -0.000 1.175 -0.000) 1.175 22.760 ( 0.000 -0.062 0.000) 0.062 23.601 ( 0.000 -0.575 0.000) 0.575 23.927 ( 0.000 -1.655 0.000) 1.655 23.964 ( -0.000 0.335 -0.000) 0.335 24.561 ( -0.000 5.836 -0.000) 5.836 25.383 ( -0.000 13.369 -0.000) 13.369 25.462 ( -0.000 4.704 -0.000) 4.704 25.654 ( -0.000 19.605 -0.000) 19.605 26.744 ( 0.000 -10.338 0.000) 10.338 26.971 ( 0.000 -22.123 0.000) 22.123 27.001 ( 0.000 -5.742 0.000) 5.742 28.881 ( 0.000 -4.200 0.000) 4.200 ======================= Grid point 51 (17/144) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 32.001 -0.000 39.463) 50.807 0.881 ( 6.108 -0.000 45.255) 45.666 1.519 ( -24.118 0.000 70.306) 74.327 3.242 ( 7.562 -0.000 -7.187) 10.432 3.246 ( 3.036 -0.000 17.693) 17.951 3.667 ( -0.890 0.000 19.860) 19.880 4.158 ( 12.393 -0.000 18.895) 22.596 4.677 ( -10.761 0.000 -10.651) 15.141 4.823 ( -6.747 0.000 -7.152) 9.833 5.124 ( 12.573 -0.000 27.515) 30.251 5.304 ( 10.327 -0.000 -0.291) 10.331 5.317 ( 20.849 -0.000 3.368) 21.119 5.522 ( -6.822 0.000 3.654) 7.738 5.678 ( 9.033 -0.000 3.554) 9.707 5.802 ( -1.815 0.000 2.271) 2.907 5.877 ( -19.278 0.000 5.579) 20.069 6.407 ( -0.227 0.000 -7.316) 7.320 6.945 ( 1.040 -0.000 -17.400) 17.431 7.086 ( 0.500 -0.000 -17.213) 17.220 7.087 ( 35.629 -0.000 -0.508) 35.633 7.339 ( -9.857 0.000 -11.842) 15.408 7.372 ( -4.130 0.000 5.092) 6.557 8.183 ( -9.437 0.000 11.928) 15.210 8.348 ( -15.341 0.000 14.704) 21.250 8.706 ( -10.204 0.000 -10.783) 14.846 8.842 ( 2.430 -0.000 -11.270) 11.529 9.094 ( 6.416 -0.000 -21.904) 22.824 9.361 ( -7.676 0.000 3.065) 8.265 9.678 ( 18.352 -0.000 10.909) 21.349 9.972 ( 15.854 -0.000 15.586) 22.232 10.041 ( -16.319 0.000 -2.284) 16.478 10.336 ( 4.505 -0.000 7.674) 8.899 10.656 ( -15.032 0.000 23.720) 28.082 11.107 ( 6.443 -0.000 -8.185) 10.417 11.933 ( -0.028 0.000 -7.383) 7.383 11.944 ( -6.364 0.000 -10.899) 12.621 11.998 ( -8.815 0.000 -19.276) 21.196 12.730 ( -2.182 0.000 3.569) 4.183 12.870 ( -2.777 0.000 -2.277) 3.591 13.041 ( -12.871 0.000 -3.092) 13.237 13.104 ( 8.813 -0.000 9.664) 13.079 13.382 ( 16.531 -0.000 7.721) 18.245 15.459 ( 4.036 -0.000 -3.035) 5.050 16.193 ( 4.472 -0.000 -15.669) 16.295 16.438 ( 9.001 -0.000 -5.088) 10.340 16.776 ( 49.216 -0.000 10.682) 50.361 17.135 ( 12.691 -0.000 -18.104) 22.109 18.301 ( -7.686 0.000 -7.683) 10.868 19.017 ( -0.523 0.000 1.867) 1.939 19.168 ( -1.846 0.000 -0.248) 1.862 19.315 ( -15.643 0.000 1.774) 15.743 19.353 ( 1.899 -0.000 -15.177) 15.296 19.502 ( -2.197 0.000 4.054) 4.611 20.289 ( -3.112 0.000 0.496) 3.151 20.530 ( 1.340 -0.000 16.409) 16.464 20.978 ( 2.131 -0.000 3.402) 4.014 21.455 ( -1.282 0.000 4.059) 4.257 21.737 ( -5.154 0.000 -2.587) 5.767 22.183 ( -0.021 0.000 1.028) 1.028 22.502 ( -0.659 0.000 3.108) 3.177 22.502 ( 21.867 -0.000 -2.257) 21.983 23.480 ( 3.348 -0.000 -3.484) 4.832 23.678 ( 0.940 -0.000 6.822) 6.886 24.035 ( 0.261 -0.000 6.591) 6.596 24.826 ( -5.267 0.000 2.327) 5.759 24.999 ( 6.814 -0.000 -0.851) 6.867 25.018 ( 3.906 -0.000 2.732) 4.767 26.639 ( 0.054 -0.000 0.026) 0.061 26.741 ( -2.089 0.000 3.709) 4.256 26.825 ( -40.810 0.000 -5.275) 41.150 27.721 ( -12.493 0.000 -6.457) 14.063 27.995 ( 10.528 -0.000 -0.787) 10.557 ======================= Grid point 52 (18/144) ======================= q-point: ( 0.14 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -14.614 -9.862 43.953) 47.357 1.350 ( 31.092 -16.445 29.635) 45.993 2.158 ( 19.872 -45.773 32.909) 59.775 3.071 ( -3.131 17.188 12.044) 21.220 3.375 ( -0.953 -2.892 13.663) 13.998 3.707 ( -5.144 -6.132 29.476) 30.544 4.118 ( 0.475 12.727 24.431) 27.551 4.401 ( -14.539 12.412 2.271) 19.251 4.655 ( 3.237 11.311 -0.634) 11.782 5.052 ( -8.501 10.944 33.277) 36.047 5.208 ( -24.263 3.392 0.367) 24.502 5.277 ( -4.070 -0.893 -5.212) 6.673 5.572 ( -1.243 -8.430 -4.304) 9.547 5.683 ( 5.215 11.126 2.435) 12.527 5.737 ( 6.063 7.388 6.339) 11.468 6.176 ( 4.409 -16.731 0.361) 17.306 6.372 ( -6.243 -2.449 -12.024) 13.767 6.714 ( -6.928 9.316 -3.034) 12.000 6.962 ( -5.463 10.574 -19.499) 22.845 7.058 ( 3.029 -2.256 -6.080) 7.158 7.402 ( 0.676 -5.806 4.301) 7.257 7.449 ( 5.690 -2.248 6.606) 9.004 8.214 ( 7.230 5.221 7.031) 11.357 8.297 ( 0.179 5.784 7.072) 9.138 8.554 ( -11.407 1.809 -9.501) 14.956 8.838 ( 12.577 2.441 -11.476) 17.200 9.179 ( 10.146 -4.560 -16.117) 19.582 9.272 ( -1.879 3.609 -0.519) 4.102 9.828 ( -11.192 1.081 8.999) 14.402 9.855 ( 19.807 6.083 -5.178) 21.357 10.171 ( -1.420 -0.172 13.351) 13.428 10.510 ( 3.860 -8.788 9.573) 13.556 10.713 ( -6.983 -14.104 22.320) 27.310 11.099 ( 3.981 3.728 -5.305) 7.609 11.685 ( -10.096 3.018 -23.250) 25.527 11.930 ( -3.378 1.334 -8.537) 9.278 11.972 ( -4.812 -7.644 -7.617) 11.816 12.461 ( -3.298 21.516 5.239) 22.388 12.608 ( -2.254 10.473 6.520) 12.541 13.007 ( -12.201 -8.073 -5.351) 15.577 13.393 ( 4.172 9.864 5.838) 12.198 13.455 ( 2.871 -17.671 5.848) 18.834 15.605 ( 1.949 -10.719 -6.101) 12.487 16.214 ( 5.354 -1.755 -15.994) 16.957 16.365 ( 2.253 7.913 -5.689) 10.003 17.175 ( 9.178 4.958 -13.520) 17.076 17.389 ( 45.939 1.393 2.594) 46.033 18.179 ( -7.037 -1.198 -10.423) 12.633 18.784 ( -15.255 7.745 7.008) 18.488 19.110 ( 1.581 6.070 0.642) 6.305 19.169 ( -4.867 5.017 -6.159) 9.317 19.458 ( 0.284 -2.756 -7.454) 7.952 19.558 ( -2.167 -13.083 1.707) 13.371 20.199 ( -5.114 4.267 2.775) 7.215 20.635 ( 0.164 -2.511 14.506) 14.722 20.813 ( -20.729 20.261 28.848) 40.895 21.046 ( -5.345 -0.139 10.202) 11.519 21.639 ( -11.560 2.312 -7.942) 14.214 22.209 ( -2.412 -2.982 0.898) 3.939 22.505 ( 1.620 1.759 2.957) 3.803 22.914 ( 37.716 3.352 -22.843) 44.222 23.574 ( 10.932 -1.573 -3.850) 11.696 23.716 ( -0.102 -0.601 8.320) 8.343 24.067 ( 0.278 -0.499 7.988) 8.008 24.572 ( -5.103 21.417 16.645) 27.600 24.966 ( 3.209 13.036 8.513) 15.896 25.144 ( 5.374 -1.621 0.697) 5.657 25.327 ( -5.878 25.704 20.544) 33.426 26.732 ( -0.314 -1.213 1.964) 2.330 27.393 ( -14.272 -2.771 -10.582) 17.982 27.959 ( -1.518 -27.837 -13.715) 31.069 28.320 ( -9.183 -32.610 -20.048) 39.366 ======================= Grid point 53 (19/144) ======================= q-point: ( 0.29 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -10.295 -15.555 16.122) 24.655 2.085 ( 31.389 -19.236 18.757) 41.318 2.771 ( 3.693 11.039 25.382) 27.924 3.097 ( -2.766 -12.137 9.860) 15.880 3.451 ( 3.849 -12.479 14.962) 19.860 3.803 ( -10.488 0.173 13.482) 17.083 4.068 ( -8.539 10.045 5.628) 14.335 4.229 ( 5.884 -8.399 39.294) 40.610 4.501 ( -7.077 4.759 -3.536) 9.233 4.870 ( -14.630 -0.209 17.662) 22.935 5.003 ( -12.203 1.845 4.666) 13.194 5.131 ( -7.193 7.834 -0.288) 10.639 5.533 ( 3.327 12.691 6.576) 14.675 5.647 ( 3.719 -0.792 -3.401) 5.101 5.788 ( 4.458 -5.056 0.050) 6.741 6.186 ( -10.616 3.767 5.624) 12.590 6.437 ( 2.704 -12.537 0.756) 12.847 6.551 ( -8.698 1.711 -23.855) 25.449 6.755 ( -0.394 9.165 -0.001) 9.173 7.074 ( 3.917 9.030 6.526) 11.810 7.472 ( -2.721 1.035 6.384) 7.017 7.599 ( 2.046 -14.617 -8.207) 16.888 8.021 ( -12.733 17.282 10.269) 23.796 8.285 ( 10.167 -1.469 -5.647) 11.723 8.423 ( 4.637 6.711 3.976) 9.074 8.965 ( 12.795 -0.392 -4.691) 13.633 9.183 ( 4.215 9.008 -8.158) 12.863 9.247 ( 8.224 5.421 -4.287) 10.742 9.829 ( -7.827 -13.472 3.844) 16.048 9.965 ( 10.370 -0.073 -14.324) 17.684 10.136 ( -9.159 -2.423 5.991) 11.209 10.663 ( 2.820 -1.933 8.504) 9.166 10.923 ( -4.521 -7.417 8.496) 12.151 11.145 ( 3.925 -5.420 3.375) 7.494 11.526 ( -1.276 -0.094 -14.934) 14.988 11.754 ( -6.951 11.032 -2.530) 13.283 11.979 ( -7.112 -3.981 -4.883) 9.501 12.216 ( -0.345 4.485 -1.089) 4.629 12.526 ( 2.932 6.193 10.706) 12.711 12.949 ( -9.262 -2.462 -5.060) 10.837 13.275 ( 1.864 8.381 -2.692) 8.998 13.721 ( -1.215 -11.599 5.308) 12.814 15.774 ( -1.663 -11.606 -3.983) 12.383 16.195 ( 6.293 6.232 -8.418) 12.219 16.324 ( 7.280 0.158 -9.568) 12.024 17.048 ( 1.360 13.168 -9.769) 16.452 17.728 ( 22.353 3.499 -8.609) 24.208 18.242 ( 8.969 -8.810 0.423) 12.580 18.594 ( -12.076 -1.885 5.048) 13.224 18.973 ( -4.517 9.387 -9.784) 14.291 19.033 ( 0.785 5.151 0.655) 5.252 19.449 ( -1.200 -0.324 -2.236) 2.559 19.755 ( -1.475 -11.750 1.648) 11.956 20.086 ( -4.723 4.436 5.598) 8.563 20.460 ( -13.374 9.081 27.046) 31.509 20.762 ( 2.953 0.337 10.790) 11.192 21.042 ( -1.735 0.586 2.779) 3.328 21.436 ( -8.897 2.944 -7.116) 11.767 22.234 ( -2.094 -2.850 0.970) 3.667 22.492 ( 1.503 3.334 3.110) 4.800 23.098 ( 15.336 -1.045 -20.702) 25.785 23.696 ( 7.397 -1.674 -4.313) 8.725 23.740 ( 1.424 1.830 7.678) 8.020 24.109 ( -0.999 -1.417 9.176) 9.339 24.326 ( -4.602 9.111 18.143) 20.817 24.786 ( 1.206 13.025 10.531) 16.793 25.167 ( 3.335 1.941 2.599) 4.652 25.288 ( 2.595 -2.208 0.108) 3.409 26.778 ( 1.567 -3.101 1.972) 3.995 27.202 ( -12.205 2.488 -6.469) 14.036 28.241 ( 6.593 -11.066 -6.755) 14.545 28.506 ( -11.801 -15.047 -17.231) 25.741 ======================= Grid point 54 (20/144) ======================= q-point: ( 0.43 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -0.691 -10.973 -9.463) 14.507 2.596 ( -0.021 5.276 20.237) 20.913 2.809 ( 2.172 -6.256 19.275) 20.381 2.922 ( -1.653 8.906 11.102) 14.328 3.624 ( -13.101 6.407 24.385) 28.413 3.747 ( 8.692 2.273 3.052) 9.489 3.977 ( 1.673 -2.343 -11.128) 11.494 4.216 ( -13.636 3.424 12.079) 18.535 4.598 ( 4.025 7.137 5.362) 9.792 4.768 ( -13.104 4.213 8.872) 16.376 4.871 ( -6.852 -9.446 5.447) 12.878 5.084 ( -4.450 -5.683 12.003) 14.006 5.560 ( 9.694 -1.883 5.237) 11.178 5.706 ( 4.434 -1.949 -2.130) 5.291 5.879 ( -5.363 -0.069 5.808) 7.906 6.098 ( -0.187 3.323 10.045) 10.582 6.363 ( -4.765 12.772 3.624) 14.105 6.457 ( -11.574 -1.972 -12.789) 17.361 6.724 ( 2.088 -15.911 5.120) 16.845 6.944 ( -0.616 7.659 -3.854) 8.597 7.430 ( -5.123 0.398 6.730) 8.467 7.738 ( -2.915 10.585 14.288) 18.019 7.823 ( 2.378 -13.176 -11.387) 17.576 8.365 ( -1.131 3.886 4.155) 5.801 8.491 ( 18.605 -0.788 2.815) 18.833 8.950 ( -0.288 9.173 -7.461) 11.827 9.099 ( 5.961 1.470 2.076) 6.481 9.292 ( 12.021 2.191 -1.472) 12.307 9.894 ( -9.546 -1.424 -1.636) 9.789 9.936 ( -12.941 -2.387 -0.718) 13.179 10.188 ( 1.153 -10.569 -21.098) 23.626 10.723 ( 10.121 4.158 1.604) 11.059 10.980 ( -8.481 -5.706 1.246) 10.297 11.195 ( 1.329 -0.542 -9.886) 9.989 11.504 ( -2.317 8.018 14.043) 16.336 11.599 ( 4.783 -0.970 2.023) 5.283 11.952 ( -4.609 -3.194 -2.984) 6.352 12.204 ( 1.972 0.116 -1.877) 2.725 12.528 ( 1.845 1.725 12.591) 12.842 12.884 ( -7.783 -4.254 -4.940) 10.153 13.167 ( 4.577 6.621 -8.904) 12.003 13.831 ( -3.743 -3.771 3.549) 6.390 15.870 ( -8.131 -8.764 -6.371) 13.547 16.180 ( 15.239 10.422 2.106) 18.581 16.403 ( 7.170 -6.460 -16.564) 19.170 16.763 ( -0.851 16.351 -10.480) 19.439 17.819 ( 7.906 -0.886 -12.278) 14.630 18.378 ( -2.836 -1.227 -5.113) 5.974 18.697 ( -1.959 2.715 -3.701) 4.990 18.764 ( 1.056 -6.316 13.995) 15.390 18.990 ( 2.441 0.373 -5.648) 6.164 19.439 ( -0.046 -0.598 -2.500) 2.571 19.910 ( -2.129 -8.479 6.336) 10.797 19.999 ( -2.847 3.991 8.387) 9.715 20.309 ( -7.913 6.766 19.921) 22.478 20.715 ( -0.480 9.028 -0.363) 9.048 21.050 ( 1.816 -1.560 2.377) 3.374 21.359 ( -3.575 -3.556 -0.321) 5.052 22.256 ( -0.793 -1.243 0.681) 1.624 22.459 ( -0.067 2.778 2.912) 4.025 23.174 ( 3.241 -4.162 -18.714) 19.443 23.714 ( -3.690 0.460 5.810) 6.898 23.781 ( 8.646 2.262 -5.239) 10.360 24.129 ( -5.794 -0.864 9.073) 10.800 24.275 ( -1.289 0.969 15.804) 15.887 24.659 ( -0.562 7.168 7.944) 10.714 25.183 ( 1.583 0.761 1.257) 2.160 25.334 ( 1.107 -0.712 -0.154) 1.325 26.872 ( 2.690 -2.620 1.166) 3.932 27.042 ( -4.424 1.211 -2.051) 5.024 28.371 ( -15.169 -11.602 -14.721) 24.113 28.560 ( 15.808 1.488 -3.171) 16.192 ======================= Grid point 55 (21/144) ======================= q-point: (-0.43 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 4.418 -2.590 -14.021) 14.926 2.208 ( -30.794 15.263 11.757) 36.324 2.531 ( -18.355 21.263 4.401) 28.432 3.198 ( 13.558 -2.950 18.763) 23.336 3.590 ( -1.904 15.172 -7.343) 16.963 3.697 ( 0.599 -2.028 42.632) 42.685 4.002 ( 10.930 5.438 -9.301) 15.347 4.133 ( -14.965 -2.713 17.812) 23.422 4.406 ( -3.415 24.736 9.607) 26.755 4.535 ( 9.027 0.592 -6.850) 11.347 5.093 ( -0.814 -5.401 13.067) 14.163 5.206 ( -0.994 -6.963 8.306) 10.884 5.336 ( -19.180 5.885 -2.116) 20.173 5.711 ( 1.922 7.487 -7.761) 10.954 5.775 ( 3.221 2.382 -4.404) 5.954 6.207 ( -4.215 -5.472 3.149) 7.591 6.287 ( -5.194 -9.515 12.046) 16.206 6.536 ( 5.983 -3.435 5.290) 8.694 6.834 ( -9.344 -7.121 -10.593) 15.819 7.055 ( 8.044 -8.020 15.785) 19.447 7.468 ( -3.999 -12.092 1.882) 12.875 7.640 ( -5.353 2.128 8.017) 9.872 7.988 ( 4.117 -4.695 -3.268) 7.048 8.247 ( 8.171 12.041 1.496) 14.628 8.715 ( 4.685 -3.434 8.696) 10.458 8.874 ( 5.455 -2.588 -5.231) 7.988 9.138 ( -2.225 0.284 -1.805) 2.879 9.375 ( 3.219 -1.947 1.010) 3.895 9.725 ( -6.607 1.391 -10.427) 12.422 9.860 ( -12.051 -2.657 9.450) 15.543 10.169 ( -0.826 3.996 -25.168) 25.497 10.706 ( 3.671 10.204 -0.607) 10.862 10.927 ( -1.242 -2.328 -11.977) 12.264 11.303 ( -8.294 5.911 13.968) 17.287 11.366 ( 6.039 -5.294 6.413) 10.277 11.744 ( 10.257 -3.440 0.470) 10.829 11.970 ( -0.579 -3.578 -1.782) 4.039 12.241 ( 2.716 -3.456 -0.868) 4.480 12.566 ( -1.756 0.535 10.152) 10.317 12.873 ( -10.447 -8.444 -6.344) 14.856 13.128 ( 12.679 6.623 -3.201) 14.659 13.787 ( -5.077 4.156 1.769) 6.796 15.858 ( -6.596 -4.729 -12.851) 15.199 16.142 ( 15.870 17.321 6.814) 24.460 16.491 ( 3.131 12.614 -12.211) 17.833 16.596 ( 7.841 -12.845 -19.982) 25.015 17.803 ( -12.359 -0.113 -10.733) 16.370 18.266 ( -5.415 0.823 -7.982) 9.680 18.642 ( 7.407 1.058 4.566) 8.765 18.879 ( -3.519 -3.302 -6.929) 8.444 19.153 ( 2.947 -11.206 11.794) 16.533 19.455 ( 2.184 -1.090 -3.636) 4.380 19.961 ( 0.472 3.009 12.802) 13.160 20.025 ( -2.555 -4.958 9.981) 11.433 20.158 ( -4.372 9.226 8.404) 13.223 20.586 ( 1.039 4.895 -0.103) 5.005 21.090 ( 2.156 1.954 3.593) 4.624 21.450 ( 1.329 -8.119 2.140) 8.501 22.253 ( 1.489 2.404 0.434) 2.861 22.436 ( -2.404 -0.994 2.175) 3.391 23.172 ( -5.946 -5.172 -19.020) 20.588 23.681 ( -2.979 0.847 4.551) 5.505 23.786 ( 3.865 3.681 -6.494) 8.406 24.077 ( -6.763 1.180 8.163) 10.666 24.328 ( -1.196 -0.231 19.842) 19.880 24.613 ( -3.478 -2.583 4.077) 5.949 25.180 ( -1.382 0.152 1.024) 1.727 25.336 ( -1.525 -0.093 0.609) 1.645 26.831 ( -3.326 3.239 -0.294) 4.652 27.154 ( 11.857 -5.218 2.777) 13.249 28.245 ( -18.275 -4.395 -13.418) 23.094 28.738 ( 24.766 5.434 -3.613) 25.611 ======================= Grid point 56 (22/144) ======================= q-point: (-0.29 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -30.784 11.740 -13.636) 35.657 1.759 ( 9.200 6.147 23.800) 26.246 1.898 ( -21.756 28.534 10.610) 37.418 2.992 ( -10.511 56.586 16.421) 59.850 3.383 ( 5.236 2.689 16.917) 17.912 3.501 ( -11.172 15.805 7.963) 20.929 4.028 ( -5.592 -3.071 33.311) 33.916 4.174 ( -5.250 -11.968 19.157) 23.190 4.438 ( 17.704 -6.025 0.049) 18.701 4.729 ( 13.709 -8.586 -5.321) 17.029 4.969 ( -2.249 5.799 11.360) 12.952 5.328 ( 4.932 -2.673 0.459) 5.629 5.408 ( -3.273 -12.202 0.787) 12.657 5.535 ( 3.294 11.125 -10.536) 15.673 5.777 ( 3.308 1.090 -0.870) 3.590 6.192 ( -1.448 -0.639 1.861) 2.443 6.469 ( -4.842 -7.758 11.841) 14.962 6.590 ( -1.573 1.022 3.030) 3.564 6.879 ( -9.726 -16.498 -10.982) 22.077 7.162 ( -3.641 0.554 5.581) 6.686 7.490 ( 1.243 6.819 -0.764) 6.973 7.695 ( -4.863 -2.323 -0.744) 5.441 8.030 ( 1.929 -4.418 8.933) 10.151 8.367 ( 7.803 -10.762 -1.157) 13.344 8.735 ( -9.902 -2.150 6.308) 11.936 8.953 ( 0.250 2.269 -2.088) 3.094 9.119 ( 5.488 -6.583 -9.958) 13.139 9.409 ( -2.144 -0.749 -0.501) 2.326 9.694 ( -16.072 -0.268 -2.410) 16.254 9.748 ( 6.742 6.959 -0.370) 9.697 10.047 ( 0.506 -3.617 -8.195) 8.972 10.536 ( 2.318 13.218 -0.858) 13.447 10.938 ( 2.347 -1.173 -5.682) 6.259 11.041 ( -13.409 10.885 19.419) 25.988 11.673 ( 10.354 -12.615 -1.265) 16.369 11.895 ( 7.742 -2.368 -4.736) 9.379 12.037 ( 2.199 -4.665 0.732) 5.209 12.406 ( 5.767 -11.164 1.364) 12.639 12.492 ( -9.344 2.523 -3.047) 10.147 12.886 ( -6.787 -7.442 1.435) 10.174 13.200 ( 15.169 6.302 6.637) 17.716 13.605 ( -6.733 10.451 -0.008) 12.432 15.792 ( 0.388 2.213 -17.180) 17.326 16.081 ( 19.130 15.562 5.452) 25.256 16.329 ( 4.295 7.497 -14.114) 16.549 16.813 ( 8.749 -10.230 -22.919) 26.579 17.429 ( -31.183 7.868 -10.197) 33.738 18.292 ( 2.937 -4.440 -1.837) 5.631 18.754 ( 3.044 -2.663 5.851) 7.113 18.905 ( 1.295 -8.496 -12.748) 15.374 19.347 ( -5.157 -8.993 11.136) 15.215 19.487 ( 2.581 -0.434 -2.705) 3.764 19.912 ( -1.535 13.124 -1.352) 13.283 20.030 ( 6.485 -1.497 17.281) 18.518 20.167 ( -0.417 -5.305 15.371) 16.266 20.569 ( 1.546 2.383 8.674) 9.127 21.061 ( 1.332 4.770 3.043) 5.812 21.626 ( 4.587 -7.886 0.909) 9.168 22.224 ( 3.030 3.971 0.424) 5.013 22.450 ( -3.931 -3.931 1.571) 5.777 23.069 ( -16.715 -5.762 -21.422) 27.776 23.657 ( -3.224 -0.066 2.859) 4.309 23.697 ( -0.676 6.464 -4.822) 8.093 24.027 ( -3.161 1.045 6.884) 7.647 24.394 ( -7.428 -6.151 25.076) 26.866 24.698 ( -1.378 -9.138 2.526) 9.580 25.156 ( -3.465 0.006 1.088) 3.632 25.323 ( -5.670 -3.221 4.418) 7.877 26.761 ( -1.437 2.241 1.213) 2.925 27.401 ( 16.860 -3.585 3.119) 17.517 28.047 ( -17.186 -1.200 -11.979) 20.983 28.863 ( 30.611 15.850 -11.951) 36.484 ======================= Grid point 57 (23/144) ======================= q-point: (-0.14 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -23.873 21.971 2.962) 32.579 1.238 ( -13.450 36.741 27.868) 48.035 1.973 ( -25.368 44.964 48.614) 70.913 2.409 ( 56.372 -27.765 47.996) 79.072 3.250 ( -0.187 8.818 11.657) 14.617 3.471 ( 3.340 1.903 19.783) 20.153 4.015 ( -8.549 0.886 19.640) 21.438 4.489 ( -4.215 -17.818 43.472) 47.171 4.718 ( -0.074 -9.893 -0.734) 9.921 4.876 ( 0.141 -6.306 -1.957) 6.604 5.119 ( 20.667 0.034 2.082) 20.772 5.336 ( 6.345 7.994 -3.200) 10.696 5.447 ( 15.950 7.055 -1.447) 17.500 5.564 ( 0.836 -9.230 -3.606) 9.944 5.808 ( 4.393 1.440 -0.721) 4.679 6.189 ( -4.633 4.412 4.312) 7.715 6.463 ( -4.470 3.295 -5.270) 7.656 6.574 ( 2.252 -4.537 21.876) 22.454 7.011 ( -4.808 -11.195 -15.798) 19.950 7.103 ( -3.330 -1.284 -5.766) 6.781 7.388 ( 0.710 5.113 -3.617) 6.304 7.557 ( -8.511 5.004 -2.300) 10.137 8.181 ( -4.144 -8.343 4.832) 10.495 8.480 ( -12.247 -4.046 8.000) 15.178 8.764 ( -0.625 -7.252 -8.340) 11.070 8.900 ( -4.064 1.649 -6.548) 7.882 9.210 ( -4.498 -1.430 -15.978) 16.660 9.404 ( -0.465 6.073 -5.979) 8.535 9.448 ( 4.208 -4.185 4.467) 7.429 9.807 ( 9.322 3.085 9.466) 13.639 10.144 ( -9.845 -9.482 2.747) 13.942 10.367 ( 4.688 11.473 1.910) 12.540 10.790 ( -13.877 7.183 25.793) 30.157 11.030 ( 7.469 -3.045 -10.773) 13.458 11.914 ( 5.460 -5.063 -2.683) 7.914 11.940 ( 2.746 -0.041 -9.329) 9.725 12.259 ( -1.125 -10.712 -1.954) 10.947 12.276 ( -3.334 -3.392 0.497) 4.782 12.699 ( 0.516 -17.348 -0.962) 17.382 13.020 ( 10.151 -4.529 17.287) 20.553 13.247 ( 11.564 10.958 6.370) 17.158 13.317 ( -9.404 13.163 -0.767) 16.195 15.655 ( 6.282 14.154 -20.924) 26.031 16.139 ( 26.609 9.214 7.618) 29.171 16.235 ( 5.062 4.615 -14.233) 15.795 16.811 ( -22.025 2.787 -11.536) 25.019 17.060 ( 4.650 0.060 -15.129) 15.828 18.359 ( -2.914 -3.000 -2.307) 4.776 18.864 ( 3.813 -7.500 -0.673) 8.441 19.064 ( 2.269 -9.790 -5.021) 11.234 19.396 ( -9.734 -4.289 4.571) 11.578 19.498 ( 0.884 0.418 -3.005) 3.160 19.647 ( -4.251 14.741 -4.903) 16.106 20.223 ( 2.442 -5.968 6.798) 9.370 20.455 ( 15.223 -7.183 26.904) 31.736 20.612 ( 8.784 -7.412 26.362) 28.759 21.024 ( 4.999 4.200 6.159) 8.976 21.770 ( 5.067 -2.333 -2.105) 5.963 22.204 ( 3.768 3.542 0.487) 5.194 22.475 ( -4.883 -4.324 1.475) 6.687 22.812 ( -33.285 -4.211 -21.385) 39.786 23.541 ( -4.106 4.346 -4.951) 7.763 23.658 ( 1.047 1.505 5.117) 5.436 24.018 ( -0.653 0.410 6.075) 6.124 24.602 ( -9.610 -22.279 22.944) 33.394 24.861 ( 2.648 -7.953 3.386) 9.041 25.095 ( -1.525 4.712 -0.251) 4.959 25.466 ( -18.625 -35.618 23.764) 46.693 26.731 ( -0.674 0.939 1.927) 2.247 27.642 ( 17.989 -0.156 1.911) 18.090 27.819 ( -15.802 2.317 -13.110) 20.662 28.674 ( 28.292 48.946 -36.931) 67.529 ======================= Grid point 59 (24/144) ======================= q-point: ( 0.14 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -17.859 0.000 50.434) 53.502 1.474 ( 18.637 -0.000 38.344) 42.634 2.388 ( 55.711 -0.000 22.440) 60.061 3.090 ( -13.722 0.000 6.192) 15.055 3.419 ( -1.158 0.000 17.123) 17.162 3.651 ( -9.616 0.000 33.822) 35.162 4.290 ( -8.716 0.000 31.053) 32.253 4.376 ( -6.535 0.000 -3.654) 7.487 4.746 ( -46.797 0.000 4.732) 47.036 4.803 ( 3.413 -0.000 -0.176) 3.417 5.163 ( -18.795 0.000 40.507) 44.655 5.231 ( -3.823 0.000 -2.387) 4.507 5.425 ( 1.227 -0.000 -13.707) 13.762 5.736 ( -3.468 0.000 -3.101) 4.652 6.092 ( 13.388 -0.000 -8.843) 16.045 6.142 ( 15.011 -0.000 9.631) 17.835 6.228 ( -6.395 0.000 -12.752) 14.266 6.576 ( -16.320 0.000 -6.231) 17.469 6.876 ( -2.476 0.000 -20.665) 20.813 6.997 ( 3.931 -0.000 -18.499) 18.912 7.474 ( 6.349 -0.000 20.235) 21.207 7.541 ( 3.230 -0.000 18.367) 18.649 8.148 ( -11.961 0.000 2.922) 12.312 8.293 ( -17.636 0.000 -13.769) 22.374 8.766 ( 32.018 -0.000 1.329) 32.046 9.018 ( 17.368 -0.000 -9.496) 19.795 9.172 ( 11.365 -0.000 -21.408) 24.238 9.275 ( -1.549 0.000 0.852) 1.768 9.720 ( -12.095 0.000 -1.754) 12.221 10.141 ( 14.687 -0.000 4.475) 15.354 10.228 ( -7.323 0.000 13.153) 15.054 10.480 ( -13.096 0.000 20.453) 24.287 10.515 ( 8.164 -0.000 5.913) 10.080 11.187 ( 6.891 -0.000 -4.577) 8.272 11.527 ( -7.603 0.000 -17.759) 19.317 11.790 ( -5.877 0.000 -9.558) 11.221 11.893 ( -3.637 0.000 -7.008) 7.896 12.524 ( -25.986 0.000 2.700) 26.126 12.743 ( -4.727 0.000 -8.270) 9.526 12.759 ( 0.476 -0.000 15.407) 15.414 13.317 ( 4.422 -0.000 3.772) 5.812 13.509 ( -0.936 0.000 0.164) 0.950 15.581 ( 7.750 -0.000 -1.581) 7.910 16.235 ( 9.348 -0.000 -13.711) 16.594 16.443 ( 2.453 -0.000 -8.775) 9.112 17.261 ( 4.710 -0.000 -10.177) 11.214 17.870 ( 33.247 -0.000 1.016) 33.263 18.031 ( -6.293 0.000 -16.672) 17.820 18.606 ( -23.041 0.000 2.329) 23.158 19.183 ( 1.147 -0.000 1.181) 1.646 19.284 ( 4.148 -0.000 0.123) 4.150 19.337 ( 4.449 -0.000 -13.392) 14.112 19.457 ( -3.852 0.000 5.085) 6.380 20.172 ( -6.220 0.000 1.861) 6.493 20.698 ( 4.733 -0.000 13.419) 14.229 20.722 ( -33.286 0.000 33.725) 47.385 21.046 ( 0.069 -0.000 7.789) 7.789 21.528 ( -9.489 0.000 -8.484) 12.729 22.173 ( -1.752 0.000 2.067) 2.710 22.552 ( 2.622 -0.000 2.724) 3.781 23.066 ( 6.825 -0.000 -24.484) 25.417 23.731 ( -1.468 0.000 9.390) 9.504 23.732 ( 15.075 -0.000 -10.138) 18.167 24.084 ( -1.563 0.000 8.847) 8.984 24.725 ( -4.506 0.000 2.999) 5.413 25.132 ( 5.931 -0.000 -1.219) 6.055 25.176 ( 7.452 -0.000 2.380) 7.822 26.182 ( -14.503 0.000 2.403) 14.700 26.642 ( 0.032 -0.000 0.403) 0.404 26.724 ( -1.228 0.000 2.360) 2.661 27.297 ( -14.443 0.000 -4.887) 15.248 28.347 ( 15.986 -0.000 0.936) 16.014 ======================= Grid point 60 (25/144) ======================= q-point: ( 0.29 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -5.196 -3.501 30.124) 30.768 2.060 ( 17.489 -23.982 29.974) 42.184 2.923 ( -17.629 2.146 15.387) 23.497 3.076 ( 24.957 -5.197 11.402) 27.926 3.449 ( 4.969 -3.693 14.260) 15.546 3.718 ( -10.228 -3.617 25.427) 27.645 4.154 ( -17.109 8.194 4.153) 19.419 4.216 ( -12.466 3.659 17.209) 21.562 4.420 ( -7.657 -0.460 23.519) 24.738 4.853 ( 4.960 1.025 4.510) 6.781 4.978 ( -12.206 6.511 15.723) 20.943 5.193 ( -2.848 3.873 2.438) 5.391 5.490 ( -0.391 -7.397 -2.221) 7.733 5.773 ( -3.902 -7.228 1.282) 8.314 5.969 ( 6.620 16.735 -3.014) 18.248 6.037 ( -11.479 -0.529 -10.385) 15.488 6.275 ( 3.944 -4.537 -1.962) 6.324 6.495 ( 2.403 6.085 -12.796) 14.372 6.903 ( 4.185 7.843 -7.329) 11.521 7.012 ( 0.168 -17.783 -13.169) 22.129 7.532 ( 0.965 10.232 11.466) 15.398 7.629 ( 4.602 2.918 18.792) 19.566 7.989 ( -17.249 -1.012 -3.804) 17.692 8.118 ( -11.597 -4.693 -4.795) 13.398 8.838 ( 11.554 14.057 0.852) 18.216 9.162 ( 17.121 6.068 6.026) 19.138 9.258 ( 2.199 -1.352 -7.897) 8.308 9.392 ( 17.060 -2.837 -15.088) 22.951 9.574 ( -8.434 -3.013 -4.614) 10.075 10.008 ( -11.858 8.269 11.377) 18.396 10.227 ( 10.969 11.070 -7.727) 17.395 10.496 ( -9.176 -13.711 14.430) 21.918 10.775 ( 0.194 -13.003 -3.970) 13.597 11.205 ( 6.967 3.423 -3.742) 8.617 11.484 ( 3.957 -2.043 -1.950) 4.862 11.749 ( -4.891 -2.387 -5.580) 7.795 11.820 ( -6.644 -2.105 -4.580) 8.340 12.226 ( -14.294 3.990 6.348) 16.141 12.682 ( -4.971 0.799 -4.452) 6.721 12.764 ( -1.622 2.660 9.873) 10.352 13.422 ( -1.046 4.898 -1.903) 5.358 13.486 ( -1.695 -11.752 -1.047) 11.920 15.682 ( 5.832 -2.313 -1.804) 6.528 16.261 ( 6.780 3.672 -13.295) 15.369 16.460 ( 9.297 -0.308 -4.272) 10.236 17.178 ( -3.569 6.747 -8.573) 11.479 17.877 ( 0.941 4.595 -16.108) 16.777 18.262 ( 8.167 -12.359 7.010) 16.389 18.411 ( -1.969 2.010 -7.131) 7.666 19.105 ( -0.442 10.593 -2.163) 10.821 19.177 ( 4.059 8.795 -1.120) 9.751 19.415 ( -1.127 -1.154 -2.322) 2.827 19.557 ( 0.075 -11.993 2.765) 12.308 20.096 ( -5.146 2.250 3.691) 6.721 20.473 ( -19.398 4.644 27.556) 34.017 20.837 ( 5.760 -2.751 12.996) 14.479 21.056 ( -1.955 1.433 5.986) 6.458 21.362 ( -8.504 2.589 -9.792) 13.225 22.174 ( -2.415 -1.989 2.656) 4.104 22.573 ( 2.475 2.217 2.253) 4.014 23.030 ( -2.481 -2.853 -19.256) 19.624 23.729 ( -1.827 0.919 7.329) 7.609 23.835 ( 7.706 -0.750 -5.925) 9.749 24.091 ( -3.929 -0.738 9.283) 10.107 24.587 ( -1.066 12.582 5.863) 13.922 25.133 ( 7.048 11.139 6.552) 14.720 25.281 ( 6.447 -0.337 -0.565) 6.481 25.459 ( 5.718 31.644 7.291) 32.972 26.745 ( 0.252 -3.030 2.046) 3.665 27.070 ( -8.981 -4.299 -7.034) 12.191 27.433 ( -17.527 -45.301 -12.151) 50.070 28.529 ( 14.166 -1.581 -0.786) 14.276 ======================= Grid point 61 (26/144) ======================= q-point: ( 0.43 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 6.693 -9.479 3.682) 12.174 2.525 ( -21.806 0.956 12.727) 25.266 2.799 ( -0.013 -14.815 24.710) 28.810 3.098 ( -4.474 8.716 31.778) 33.254 3.584 ( -16.399 -0.235 13.712) 21.377 3.847 ( 13.935 -8.587 -7.464) 17.989 3.954 ( -23.982 2.351 1.462) 24.141 4.038 ( 4.789 0.705 9.639) 10.786 4.703 ( 11.981 -8.388 31.654) 34.869 4.785 ( -3.936 8.846 -5.863) 11.318 4.891 ( 5.502 5.420 5.947) 9.748 5.087 ( 0.160 3.470 6.521) 7.388 5.618 ( -1.862 -8.339 1.157) 8.623 5.784 ( -3.725 -1.012 9.092) 9.877 5.821 ( 6.821 8.660 -1.423) 11.115 6.170 ( 4.187 -17.776 5.477) 19.066 6.349 ( 8.539 11.236 -7.460) 15.963 6.416 ( -2.112 -10.729 -5.392) 12.192 6.620 ( -8.547 22.562 0.147) 24.127 7.121 ( -0.056 11.567 -6.219) 13.133 7.435 ( -4.430 -9.360 -3.684) 10.992 7.562 ( -10.133 4.164 9.845) 14.728 7.814 ( -8.858 0.433 -1.494) 8.994 8.215 ( 0.851 -11.639 4.798) 12.618 8.768 ( 2.177 3.676 -0.366) 4.287 9.099 ( -2.701 15.573 -0.759) 15.823 9.249 ( 6.034 4.887 1.270) 7.868 9.361 ( -4.968 2.602 3.155) 6.435 9.745 ( 6.044 -7.529 -7.601) 12.287 9.899 ( 2.880 1.222 9.699) 10.191 10.097 ( 6.158 6.584 -24.780) 26.369 10.665 ( -7.327 -10.187 9.133) 15.520 10.872 ( 0.848 -5.705 -16.423) 17.407 11.227 ( 6.786 1.516 -2.036) 7.246 11.596 ( -0.009 0.367 9.409) 9.416 11.688 ( 4.305 2.597 7.657) 9.160 11.828 ( -3.281 -6.116 -4.868) 8.477 12.162 ( -4.372 -4.160 2.482) 6.525 12.595 ( -5.299 0.382 -3.667) 6.455 12.709 ( -5.498 2.696 9.043) 10.921 13.323 ( 3.861 5.620 -3.973) 7.892 13.639 ( -5.484 -11.671 -3.451) 13.349 15.736 ( -0.393 -0.631 0.236) 0.780 16.269 ( 8.082 -3.432 -18.486) 20.465 16.574 ( 15.770 4.992 -0.680) 16.556 16.952 ( -3.386 11.481 -7.786) 14.279 17.755 ( -7.380 0.083 -15.625) 17.280 18.261 ( -8.420 -3.248 -7.409) 11.677 18.680 ( 15.702 -7.798 7.877) 19.220 18.887 ( -2.177 12.307 1.175) 12.554 19.081 ( 5.099 7.664 -4.216) 10.125 19.412 ( -0.806 -1.070 -1.260) 1.839 19.743 ( -2.653 -10.631 6.173) 12.576 20.028 ( -3.066 1.841 4.878) 6.049 20.333 ( -12.026 2.255 21.345) 24.603 20.882 ( -0.588 9.361 1.985) 9.587 21.062 ( 4.865 -3.282 5.768) 8.228 21.266 ( -3.554 -2.624 -3.363) 5.552 22.198 ( -2.480 -3.182 2.761) 4.889 22.549 ( 2.034 4.551 1.714) 5.271 22.978 ( -8.032 -5.053 -16.069) 18.662 23.710 ( -2.805 1.032 5.709) 6.444 23.898 ( 5.418 -0.090 -4.278) 6.904 24.082 ( -5.456 -0.640 9.266) 10.772 24.424 ( 2.391 9.641 7.038) 12.174 24.942 ( 5.344 20.817 10.781) 24.044 25.270 ( 4.507 4.778 -0.633) 6.599 25.367 ( 3.849 2.099 1.023) 4.502 26.844 ( 1.820 -4.739 1.309) 5.242 26.999 ( -1.586 -1.599 -1.753) 2.854 27.771 ( -19.699 -27.953 -14.066) 36.977 28.713 ( 13.739 -3.218 -2.821) 14.390 ======================= Grid point 62 (27/144) ======================= q-point: (-0.43 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 7.802 -4.399 -12.767) 15.596 2.072 ( -33.578 9.037 16.429) 38.459 2.845 ( -5.865 24.115 20.999) 32.510 3.219 ( -1.911 -10.102 25.868) 27.836 3.541 ( -11.206 -7.121 9.200) 16.153 3.706 ( -14.745 -5.429 17.834) 23.768 4.003 ( 1.097 -2.432 -0.888) 2.812 4.228 ( 15.551 -2.395 2.298) 15.901 4.556 ( -1.544 5.487 -12.969) 14.166 4.850 ( 11.095 12.237 2.660) 16.731 5.059 ( 4.276 -9.593 20.271) 22.831 5.188 ( 10.570 -0.572 11.116) 15.350 5.472 ( -9.367 24.475 -3.112) 26.390 5.817 ( 3.657 1.485 5.651) 6.893 5.863 ( 3.066 -4.024 4.382) 6.692 5.959 ( -14.909 14.434 -0.945) 20.773 6.358 ( 7.468 3.165 6.924) 10.665 6.461 ( -1.747 -6.375 -5.548) 8.630 6.759 ( 3.620 -7.900 10.063) 13.296 6.912 ( 1.041 -10.890 -3.091) 11.368 7.376 ( -5.694 8.244 12.780) 16.239 7.528 ( -16.557 -7.592 -1.438) 18.271 7.839 ( 3.467 -12.066 -9.654) 15.837 8.462 ( 7.489 -7.149 6.262) 12.100 8.745 ( -13.315 4.286 -10.284) 17.361 8.765 ( -0.607 3.659 -2.235) 4.330 9.143 ( -10.636 8.520 1.831) 13.750 9.291 ( -6.739 -3.554 5.901) 9.637 9.802 ( 8.015 10.700 3.567) 13.836 9.942 ( 10.590 1.738 7.003) 12.814 10.111 ( 8.224 -1.544 -20.452) 22.098 10.622 ( -12.949 -1.931 -7.268) 14.974 10.996 ( 11.070 -6.185 -12.420) 17.750 11.333 ( 10.052 -1.966 1.889) 10.415 11.451 ( -9.989 11.072 15.305) 21.368 11.775 ( 1.940 -3.321 -4.351) 5.807 11.959 ( 9.980 -5.297 4.686) 12.232 12.166 ( -4.150 -1.812 -5.062) 6.792 12.543 ( -5.668 -1.362 -1.429) 6.002 12.647 ( -9.337 -2.630 8.611) 12.971 13.333 ( 9.977 2.243 1.866) 10.395 13.703 ( -5.654 -5.592 -5.875) 9.888 15.723 ( -2.706 -1.477 -1.705) 3.523 16.408 ( 8.776 -7.999 -22.387) 25.341 16.600 ( 11.512 8.556 -5.238) 15.270 16.741 ( 9.337 15.476 -0.415) 18.079 17.563 ( -20.872 -0.309 -14.753) 25.562 18.224 ( 0.736 -0.627 -6.680) 6.749 18.736 ( -3.573 3.843 10.265) 11.529 18.845 ( 5.241 2.977 -5.010) 7.838 19.097 ( 4.775 -3.754 2.140) 6.440 19.433 ( 1.258 -2.267 -3.023) 3.983 19.876 ( -5.737 -8.335 10.751) 14.763 20.014 ( -0.766 -0.164 6.075) 6.125 20.250 ( -7.643 2.893 16.133) 18.085 20.717 ( 2.608 8.212 -4.877) 9.901 21.147 ( 0.036 0.779 6.295) 6.343 21.363 ( 5.543 -8.083 0.692) 9.825 22.236 ( -2.025 -3.411 2.430) 4.652 22.493 ( 2.540 5.770 0.763) 6.350 22.893 ( -12.692 -4.548 -13.123) 18.814 23.677 ( -2.602 1.089 3.951) 4.855 23.916 ( 4.470 3.389 -4.543) 7.218 24.059 ( -4.230 0.257 8.683) 9.662 24.398 ( 2.471 0.242 7.619) 8.013 24.702 ( -1.249 16.114 9.772) 18.887 25.233 ( 1.886 4.742 0.741) 5.157 25.352 ( 0.460 2.593 0.235) 2.644 26.837 ( -2.444 1.807 -0.479) 3.077 27.192 ( 13.652 -9.426 3.207) 16.897 27.838 ( -19.359 -14.225 -12.251) 26.966 28.919 ( 13.400 -5.121 -6.418) 15.715 ======================= Grid point 63 (28/144) ======================= q-point: (-0.29 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -13.150 11.409 2.512) 17.589 1.871 ( 2.101 -0.651 3.419) 4.065 2.348 ( -7.885 31.769 31.826) 45.654 3.383 ( -6.970 -5.419 22.869) 24.514 3.444 ( -6.968 0.331 -1.194) 7.077 3.941 ( -4.126 -10.073 32.442) 34.219 4.017 ( -3.020 0.433 4.823) 5.708 4.201 ( 10.516 46.279 17.081) 50.439 4.536 ( 2.237 1.467 -2.980) 4.004 4.557 ( -6.821 -1.883 -8.701) 11.215 5.070 ( 5.054 0.569 1.817) 5.401 5.274 ( 1.472 -3.817 14.803) 15.358 5.436 ( 12.746 -3.021 6.372) 14.566 5.674 ( -5.391 6.077 -7.584) 11.114 5.880 ( 8.835 3.113 2.360) 9.660 6.072 ( 0.513 -11.232 11.310) 15.948 6.375 ( -7.675 -1.959 1.777) 8.118 6.544 ( -0.285 -9.240 1.316) 9.337 6.654 ( -0.248 3.701 -5.836) 6.915 7.168 ( -11.986 7.644 11.062) 18.013 7.390 ( -0.852 -12.954 0.099) 12.982 7.521 ( 2.681 -12.512 0.090) 12.796 8.088 ( 2.469 -12.123 -2.675) 12.657 8.358 ( -3.181 16.223 -1.794) 16.629 8.567 ( -9.330 -3.233 -5.915) 11.511 8.888 ( -4.461 -3.657 -6.325) 8.561 8.935 ( -7.790 -11.840 -4.066) 14.745 9.297 ( -6.884 -2.739 4.794) 8.825 9.722 ( 6.525 11.120 11.789) 17.471 10.059 ( 7.970 7.490 -22.790) 25.279 10.073 ( 13.318 5.947 12.452) 19.178 10.534 ( -7.769 -4.385 -2.754) 9.337 11.102 ( 10.428 4.802 -10.077) 15.276 11.162 ( -9.936 15.203 19.740) 26.824 11.547 ( 6.388 -11.662 0.136) 13.298 11.835 ( -1.700 -7.350 -12.761) 14.824 12.086 ( 5.704 3.732 -1.274) 6.935 12.232 ( 2.317 -11.980 -1.714) 12.322 12.438 ( -8.821 3.608 -2.777) 9.927 12.693 ( -4.542 -9.811 10.035) 14.751 13.444 ( 9.312 2.106 8.622) 12.864 13.647 ( -3.525 3.001 -6.039) 7.610 15.738 ( 1.653 -2.990 -5.374) 6.368 16.394 ( 1.955 5.979 -17.283) 18.392 16.627 ( 10.871 13.404 -3.474) 17.604 16.715 ( 17.453 -3.799 -12.844) 22.000 17.211 ( -21.725 6.119 -6.895) 23.600 18.253 ( 1.979 -2.078 -2.314) 3.686 18.693 ( -5.362 -0.913 2.186) 5.862 18.862 ( 7.265 -1.121 -4.530) 8.635 19.197 ( -4.453 -5.902 4.240) 8.523 19.477 ( 1.086 -1.916 -2.680) 3.469 19.964 ( -4.275 -1.644 5.876) 7.451 20.011 ( -3.658 -2.219 8.321) 9.356 20.231 ( 0.191 -1.523 17.613) 17.680 20.667 ( 4.435 3.463 1.403) 5.799 21.121 ( -3.141 1.946 5.148) 6.337 21.573 ( 6.621 -8.230 -2.090) 10.768 22.282 ( -0.350 -3.256 2.333) 4.021 22.432 ( 3.591 6.064 -1.415) 7.188 22.750 ( -13.647 -0.870 -8.082) 15.884 23.652 ( -1.267 0.728 2.816) 3.172 23.846 ( 2.209 7.989 -4.175) 9.281 24.045 ( -1.162 1.122 7.160) 7.340 24.456 ( -2.150 8.453 18.305) 20.277 24.535 ( -3.497 -6.851 2.185) 7.996 25.168 ( -1.150 4.010 2.581) 4.906 25.310 ( -0.632 2.372 -0.188) 2.462 26.785 ( -0.945 2.145 0.834) 2.488 27.529 ( 18.788 -7.225 3.375) 20.410 27.750 ( -17.779 -6.385 -10.592) 21.658 29.098 ( 9.994 -3.796 -14.621) 18.112 ======================= Grid point 64 (29/144) ======================= q-point: (-0.14 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 10.264 17.813 26.583) 33.605 1.618 ( -11.318 25.963 12.893) 31.119 2.412 ( 16.672 -15.052 27.968) 35.871 3.001 ( -3.344 53.366 26.108) 59.504 3.408 ( -2.631 1.727 8.345) 8.919 3.686 ( 7.479 12.740 35.956) 38.872 3.988 ( -4.737 -0.129 8.927) 10.107 4.244 ( -10.779 -15.753 27.725) 33.660 4.512 ( -2.380 -7.354 -6.856) 10.332 4.796 ( 4.194 -12.040 11.220) 16.983 5.178 ( 2.467 -5.038 -6.544) 8.619 5.382 ( -3.063 -4.212 9.214) 10.584 5.488 ( 2.499 0.809 2.116) 3.373 5.628 ( 3.405 -0.341 -3.251) 4.720 5.827 ( -7.679 6.787 -5.570) 11.665 6.274 ( 3.158 -3.769 12.573) 13.501 6.414 ( 1.178 -3.713 5.548) 6.779 6.613 ( 1.151 -1.150 2.091) 2.650 6.748 ( 6.341 -12.602 -13.099) 19.251 6.993 ( -9.003 -2.401 6.979) 11.641 7.440 ( 2.183 1.075 -1.961) 3.125 7.639 ( 1.967 10.609 -12.992) 16.888 8.083 ( -3.070 1.269 5.906) 6.776 8.256 ( -13.709 -12.496 5.218) 19.270 8.631 ( -3.234 -8.824 -6.727) 11.558 8.764 ( -1.665 0.975 -10.299) 10.478 9.148 ( 2.988 -9.622 -8.084) 12.918 9.243 ( -7.718 -1.236 4.711) 9.127 9.688 ( 14.122 7.954 -2.580) 16.412 9.922 ( 1.896 8.109 -3.503) 9.035 10.153 ( 3.980 2.834 13.077) 13.960 10.537 ( 1.610 1.222 2.564) 3.265 10.916 ( -7.662 12.500 24.798) 28.808 11.067 ( 5.904 4.240 -7.578) 10.501 11.761 ( -2.875 -8.449 -13.799) 16.433 11.888 ( -0.943 -8.799 -11.034) 14.144 12.131 ( 3.340 -3.783 -0.582) 5.080 12.236 ( -8.663 3.299 -2.200) 9.527 12.441 ( 0.396 -10.620 0.645) 10.647 12.943 ( 5.017 -14.624 10.956) 18.950 13.390 ( -7.398 6.864 -2.067) 10.301 13.585 ( 8.733 9.267 7.820) 14.943 15.781 ( 6.269 3.790 -12.587) 14.564 16.262 ( -0.286 3.173 -14.951) 15.287 16.404 ( -10.492 7.430 -6.718) 14.505 16.952 ( 27.560 0.078 -9.932) 29.295 17.058 ( 9.867 1.922 1.491) 10.163 18.268 ( -3.486 -0.857 -3.555) 5.052 18.711 ( -2.959 -7.377 -0.824) 7.990 18.978 ( 4.002 -5.433 0.430) 6.762 19.212 ( -9.801 -4.987 -0.628) 11.015 19.489 ( -0.698 -0.413 -2.356) 2.492 19.810 ( -3.304 11.273 -2.590) 12.029 20.126 ( -2.538 -7.379 7.849) 11.068 20.451 ( 0.518 -15.586 28.192) 32.218 20.664 ( 1.295 3.760 8.688) 9.555 21.071 ( -3.886 1.118 6.464) 7.624 21.706 ( -4.294 -7.052 -8.380) 11.764 22.318 ( -7.380 0.637 -1.410) 7.540 22.402 ( 12.053 1.098 0.152) 12.104 22.637 ( 7.017 3.922 -1.063) 8.109 23.621 ( 1.123 5.081 -3.057) 6.035 23.724 ( -0.381 4.844 3.618) 6.058 24.047 ( 0.125 0.866 7.233) 7.285 24.375 ( -9.262 -2.954 21.189) 23.313 24.714 ( 0.539 -11.994 5.881) 13.369 25.119 ( -1.406 1.147 4.602) 4.947 25.263 ( -1.012 2.191 1.007) 2.615 26.753 ( -0.207 1.765 1.651) 2.426 27.588 ( -16.709 -2.710 -9.804) 19.561 27.842 ( 20.062 -2.259 2.483) 20.341 29.051 ( -4.369 9.806 -31.967) 33.722 ======================= Grid point 67 (30/144) ======================= q-point: ( 0.29 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 2.997 -0.000 29.963) 30.113 2.153 ( 20.573 -0.000 29.734) 36.157 2.696 ( -33.854 0.000 17.227) 37.985 3.254 ( -11.007 0.000 28.841) 30.871 3.368 ( -12.295 0.000 10.169) 15.955 3.720 ( 6.257 -0.000 2.168) 6.622 3.994 ( -11.621 0.000 4.997) 12.650 4.287 ( -1.509 0.000 -2.800) 3.181 4.576 ( 14.198 -0.000 41.968) 44.304 4.943 ( -8.333 0.000 23.037) 24.498 4.959 ( 8.127 -0.000 4.698) 9.387 5.300 ( -2.721 0.000 20.815) 20.992 5.330 ( -2.345 0.000 -9.973) 10.245 5.632 ( 1.229 -0.000 -14.157) 14.210 5.891 ( -14.453 0.000 -3.844) 14.955 6.005 ( -1.404 0.000 -10.299) 10.394 6.452 ( 8.895 -0.000 1.221) 8.979 6.630 ( 15.217 -0.000 -7.722) 17.064 6.725 ( -1.889 0.000 -16.150) 16.260 7.024 ( 6.928 -0.000 -9.677) 11.902 7.701 ( -6.529 0.000 -3.261) 7.298 7.719 ( -22.749 0.000 -9.840) 24.786 7.733 ( -1.260 0.000 21.848) 21.884 7.950 ( 0.359 -0.000 10.906) 10.912 8.999 ( -19.288 0.000 5.439) 20.040 9.093 ( 5.898 -0.000 -15.996) 17.049 9.397 ( -8.454 0.000 -8.464) 11.963 9.517 ( 21.271 -0.000 -7.921) 22.698 9.603 ( 20.496 -0.000 8.455) 22.172 10.156 ( 0.329 -0.000 15.604) 15.608 10.222 ( -5.953 0.000 9.718) 11.396 10.492 ( -5.260 0.000 -23.267) 23.854 10.531 ( 7.768 -0.000 -0.549) 7.788 11.284 ( 4.659 -0.000 -9.841) 10.888 11.546 ( 6.201 -0.000 5.721) 8.437 11.614 ( -4.688 0.000 -4.117) 6.239 11.753 ( -3.179 0.000 3.031) 4.392 12.088 ( -18.042 0.000 14.141) 22.924 12.579 ( -3.938 0.000 -8.681) 9.533 12.883 ( 0.480 -0.000 13.083) 13.092 13.333 ( -1.819 0.000 -5.032) 5.351 13.439 ( -3.149 0.000 -3.526) 4.728 15.748 ( 9.347 -0.000 -6.723) 11.514 16.427 ( 13.220 -0.000 -7.195) 15.051 16.429 ( 0.921 -0.000 -4.732) 4.821 17.104 ( -11.399 0.000 -10.952) 15.808 17.920 ( 5.804 -0.000 -14.524) 15.640 18.016 ( -18.153 0.000 -2.876) 18.380 18.590 ( 21.108 -0.000 -2.337) 21.237 19.209 ( -0.015 0.000 1.704) 1.704 19.325 ( 2.362 -0.000 -13.423) 13.630 19.389 ( 3.712 -0.000 5.063) 6.278 19.437 ( -1.429 0.000 7.069) 7.212 20.076 ( -4.280 0.000 4.438) 6.166 20.387 ( -17.290 0.000 24.233) 29.769 20.926 ( 7.743 -0.000 12.128) 14.389 21.066 ( -3.237 0.000 4.939) 5.905 21.250 ( -8.194 0.000 -9.437) 12.498 22.138 ( -3.125 0.000 3.811) 4.928 22.623 ( 2.122 -0.000 1.264) 2.470 22.898 ( -6.341 0.000 -14.213) 15.564 23.731 ( -4.212 0.000 9.298) 10.208 23.865 ( 3.872 -0.000 -5.792) 6.967 24.069 ( -4.265 0.000 8.371) 9.395 24.678 ( -2.388 0.000 5.345) 5.854 25.301 ( 9.450 -0.000 1.620) 9.588 25.347 ( 6.508 -0.000 0.110) 6.509 25.961 ( -6.437 0.000 -7.946) 10.227 26.643 ( -0.446 0.000 1.045) 1.137 26.726 ( 0.321 -0.000 1.438) 1.473 27.049 ( -6.063 0.000 -2.477) 6.550 28.649 ( 10.906 -0.000 -2.188) 11.123 ======================= Grid point 68 (31/144) ======================= q-point: ( 0.43 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 12.236 -0.919 12.154) 17.271 2.279 ( -40.505 4.023 20.468) 45.560 2.643 ( 12.879 -18.686 24.315) 33.260 3.143 ( -19.969 -1.710 38.554) 43.452 3.308 ( -20.839 -8.512 4.710) 22.998 3.811 ( -5.830 4.490 4.533) 8.643 3.871 ( 1.401 2.157 2.503) 3.589 4.220 ( 6.341 3.424 0.898) 7.262 4.702 ( -6.700 -1.029 -1.714) 6.992 4.987 ( 0.980 9.714 17.908) 20.397 5.053 ( 5.296 3.516 4.385) 7.722 5.249 ( 17.012 3.077 16.414) 23.839 5.538 ( 6.831 -2.724 -4.768) 8.765 5.703 ( -2.074 -18.738 12.622) 22.688 5.794 ( -4.246 -1.842 3.328) 5.701 6.004 ( 3.962 -4.314 -1.292) 5.998 6.395 ( 3.698 6.233 -5.580) 9.147 6.670 ( 16.078 10.907 -9.782) 21.752 6.895 ( 0.248 -7.496 -9.020) 11.730 6.957 ( -2.970 1.938 -0.368) 3.565 7.352 ( -20.878 11.560 -10.053) 25.896 7.532 ( -3.152 0.180 -12.260) 12.660 7.785 ( -3.429 3.690 17.547) 18.256 8.085 ( 0.652 -7.393 13.557) 15.456 8.714 ( -18.749 3.632 0.184) 19.098 9.142 ( -4.440 -4.564 -5.803) 8.615 9.182 ( -10.869 6.791 -11.684) 17.343 9.597 ( 6.050 13.089 1.592) 14.507 9.850 ( 16.625 -3.459 3.784) 17.398 10.068 ( 11.252 8.783 13.332) 19.532 10.240 ( 2.929 7.068 -21.571) 22.888 10.478 ( 2.818 -8.752 5.678) 10.807 10.686 ( -0.287 -9.119 -7.687) 11.930 11.279 ( 3.513 -1.371 -9.560) 10.277 11.601 ( -2.251 -1.065 6.538) 6.996 11.634 ( -5.594 -6.994 -3.831) 9.741 11.807 ( 6.699 -1.084 10.752) 12.715 12.015 ( -9.977 -6.003 14.555) 18.639 12.508 ( -2.978 1.147 -6.746) 7.463 12.834 ( -2.681 8.361 8.580) 12.277 13.364 ( -1.747 -4.961 -6.303) 8.209 13.404 ( -1.523 -3.822 -2.771) 4.960 15.799 ( 6.295 3.290 -4.944) 8.654 16.290 ( 3.787 5.636 -13.936) 15.502 16.714 ( 13.488 -9.651 -1.576) 16.660 16.920 ( -11.030 0.628 -12.842) 16.940 17.675 ( -10.628 10.137 -11.360) 18.568 18.079 ( 0.586 -9.100 -7.008) 11.500 18.809 ( 14.971 -1.835 1.208) 15.131 19.075 ( -2.009 12.672 1.083) 12.876 19.262 ( 4.788 6.697 -6.213) 10.314 19.397 ( -0.545 0.991 3.793) 3.958 19.578 ( -0.720 -9.361 5.104) 10.686 20.038 ( -2.720 1.366 5.424) 6.220 20.290 ( -11.810 0.692 19.310) 22.646 20.959 ( -5.792 4.463 -5.780) 9.321 21.105 ( 8.575 -4.012 10.454) 14.104 21.175 ( -4.197 -1.305 -0.040) 4.395 22.133 ( -3.348 -2.205 4.227) 5.826 22.630 ( 1.705 2.001 0.716) 2.725 22.795 ( -6.707 -1.322 -10.746) 12.736 23.706 ( -4.389 0.507 7.190) 8.439 23.894 ( 1.735 -1.875 -3.733) 4.523 24.053 ( -3.728 -0.143 7.590) 8.457 24.605 ( -0.729 7.945 5.774) 9.848 25.327 ( 5.945 9.299 2.368) 11.288 25.400 ( 3.825 4.583 -1.643) 6.191 25.586 ( 4.419 21.333 0.269) 21.788 26.758 ( -0.724 -7.755 0.911) 7.841 26.923 ( -0.453 -9.290 -2.478) 9.625 27.104 ( -8.170 -22.222 -3.947) 24.003 28.764 ( 7.822 -3.014 -4.339) 9.439 ======================= Grid point 69 (32/144) ======================= q-point: (-0.43 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 7.456 -0.019 -3.864) 8.398 1.899 ( -23.435 2.019 21.969) 32.185 3.011 ( -14.288 -10.472 18.228) 25.418 3.193 ( -6.478 0.155 35.741) 36.324 3.279 ( -6.796 -9.354 3.619) 12.116 3.503 ( -14.496 3.086 14.006) 20.392 3.972 ( 2.036 -3.565 2.358) 4.734 4.287 ( 1.522 0.518 -3.772) 4.100 4.631 ( 4.059 4.343 -9.775) 11.441 4.911 ( -5.592 -10.357 8.131) 14.306 5.082 ( 4.309 2.855 5.062) 7.235 5.366 ( 4.486 4.682 14.433) 15.823 5.620 ( 6.381 1.638 -0.352) 6.598 5.804 ( -1.078 -2.331 5.205) 5.805 5.960 ( 8.548 -0.825 8.391) 12.006 6.194 ( -5.156 6.412 -11.336) 14.007 6.429 ( 3.484 -13.011 2.260) 13.658 6.561 ( 0.071 28.557 16.181) 32.823 6.706 ( 18.877 0.940 9.914) 21.342 6.871 ( -17.038 7.505 -13.468) 22.978 7.145 ( -5.981 -13.432 -7.103) 16.330 7.545 ( 3.198 6.199 7.390) 10.161 7.706 ( 0.109 -2.108 -2.452) 3.235 8.307 ( 1.431 -14.945 6.830) 16.494 8.506 ( -16.466 -1.804 -3.780) 16.990 8.897 ( -6.679 9.798 -13.052) 17.634 9.032 ( -17.060 2.817 -1.700) 17.374 9.398 ( 3.080 13.414 0.998) 13.799 10.059 ( 0.139 -0.200 4.507) 4.514 10.071 ( 12.004 -0.590 -2.466) 12.269 10.285 ( 21.553 7.936 9.500) 24.855 10.468 ( -4.612 2.849 -12.932) 14.022 10.871 ( 4.010 -12.756 -5.472) 14.448 11.375 ( 6.213 -4.504 -2.726) 8.144 11.550 ( -5.776 4.234 7.214) 10.166 11.651 ( -5.591 -4.702 -8.264) 11.030 11.919 ( -2.693 -5.948 4.423) 7.886 12.155 ( 5.926 -5.637 12.878) 15.256 12.449 ( -2.026 -0.106 -3.361) 3.926 12.647 ( -7.854 8.977 5.375) 13.083 13.425 ( 5.487 -2.495 4.589) 7.576 13.489 ( -3.143 -9.753 -9.787) 14.170 15.742 ( 0.134 5.162 -0.313) 5.173 16.298 ( 7.302 -5.913 -23.330) 25.151 16.727 ( -3.058 5.105 -10.954) 12.466 17.025 ( 13.885 -6.835 -2.127) 15.622 17.330 ( -13.887 11.379 -12.962) 22.144 18.195 ( 4.058 -4.199 -4.153) 7.165 18.848 ( -2.848 11.058 9.192) 14.659 18.957 ( 5.147 0.785 1.814) 5.513 19.163 ( 3.706 7.536 -7.209) 11.068 19.401 ( 0.110 -1.513 0.044) 1.518 19.715 ( -3.957 -8.348 7.957) 12.193 20.026 ( -0.714 0.348 6.200) 6.251 20.230 ( -8.371 0.188 14.912) 17.102 20.805 ( -1.933 4.153 -9.928) 10.934 21.152 ( -3.513 -0.015 3.609) 5.037 21.319 ( 6.725 -6.593 7.718) 12.176 22.160 ( -2.779 -3.599 3.819) 5.939 22.610 ( 2.160 3.441 0.144) 4.065 22.719 ( -3.760 -0.738 -7.401) 8.335 23.672 ( -3.437 0.518 4.450) 5.646 23.933 ( 0.870 -2.036 -2.975) 3.708 24.045 ( -2.845 -0.289 7.938) 8.437 24.496 ( 0.895 6.795 5.154) 8.575 25.066 ( -0.487 23.171 4.331) 23.577 25.339 ( 2.266 4.838 -1.782) 5.632 25.449 ( 2.062 8.229 2.054) 8.729 26.828 ( -0.825 -0.927 -0.604) 1.380 27.152 ( 10.756 -14.730 2.651) 18.431 27.334 ( -11.694 -19.746 -6.789) 23.932 28.890 ( 4.586 -6.366 -7.522) 10.870 ======================= Grid point 70 (33/144) ======================= q-point: (-0.29 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 5.905 6.057 21.639) 23.233 1.860 ( 2.443 -2.252 -9.026) 9.618 2.857 ( -5.928 23.881 17.204) 30.024 3.078 ( -17.706 -9.342 13.731) 24.276 3.355 ( -8.143 -11.953 25.628) 29.427 3.767 ( 0.427 -14.354 20.561) 25.080 4.018 ( -1.630 -1.031 -0.327) 1.956 4.282 ( -1.322 -9.629 -10.572) 14.361 4.518 ( -5.382 5.598 -3.514) 8.524 5.082 ( 2.439 -2.695 -2.267) 4.284 5.174 ( -0.998 14.510 8.362) 16.776 5.374 ( 9.854 -3.802 15.618) 18.854 5.523 ( 2.197 19.045 8.867) 21.123 5.634 ( -14.023 6.793 1.517) 15.656 5.963 ( -7.348 2.051 8.342) 11.305 6.031 ( 2.960 1.821 10.794) 11.339 6.338 ( 4.800 4.220 0.901) 6.454 6.542 ( 5.052 0.272 -5.513) 7.482 6.633 ( -3.364 0.947 -5.143) 6.218 7.172 ( -8.192 -5.108 0.517) 9.668 7.210 ( 9.576 -16.161 10.893) 21.715 7.412 ( -1.449 4.593 16.780) 17.457 7.890 ( 8.266 -8.421 -17.244) 20.895 8.387 ( -6.319 -4.503 -5.640) 9.593 8.528 ( -15.142 1.248 -1.671) 15.285 8.665 ( 6.388 -1.229 -5.555) 8.555 8.810 ( -6.906 -0.890 -4.808) 8.461 9.277 ( -0.120 5.872 3.087) 6.635 10.053 ( 2.883 8.069 13.414) 15.917 10.146 ( 7.323 4.775 -9.046) 12.580 10.347 ( 0.116 -4.520 -2.100) 4.985 10.414 ( 10.772 8.233 3.095) 13.907 11.078 ( 2.274 -9.293 -7.021) 11.867 11.364 ( -5.031 9.176 10.441) 14.782 11.522 ( 5.098 -0.906 -0.368) 5.191 11.601 ( -8.733 -5.682 -16.717) 19.698 12.001 ( -3.262 -7.731 3.911) 9.257 12.323 ( 9.891 5.396 1.986) 11.441 12.364 ( -8.854 -0.022 -1.127) 8.925 12.568 ( 0.912 -6.000 7.938) 9.992 13.487 ( -4.138 -0.973 -5.350) 6.834 13.624 ( 6.538 -6.516 4.206) 10.144 15.715 ( 2.018 -1.825 1.179) 2.965 16.378 ( 3.987 -1.507 -26.479) 26.820 16.643 ( 2.699 -2.882 -11.692) 12.341 16.898 ( -19.196 13.404 -11.189) 25.949 17.244 ( 21.281 2.498 -0.997) 21.450 18.268 ( 4.820 -0.180 -2.054) 5.243 18.724 ( -2.280 6.405 11.754) 13.578 18.938 ( 3.907 3.968 -3.587) 6.624 19.091 ( -4.738 -0.330 -2.813) 5.520 19.441 ( 0.713 -2.471 -2.193) 3.380 19.833 ( -4.024 -8.912 10.398) 14.273 20.022 ( -1.943 2.051 5.427) 6.118 20.217 ( -4.623 -2.420 13.906) 14.852 20.735 ( 0.823 0.834 -6.316) 6.424 21.114 ( -3.969 0.884 3.213) 5.182 21.481 ( 0.040 -5.699 2.636) 6.279 22.212 ( -1.268 -4.184 3.032) 5.320 22.544 ( -2.556 4.027 -1.876) 5.125 22.727 ( 10.436 1.437 -2.460) 10.818 23.652 ( -1.574 -0.129 2.934) 3.332 23.926 ( -0.443 2.629 -3.331) 4.267 24.065 ( -0.743 -1.114 7.913) 8.026 24.459 ( -0.815 0.424 4.251) 4.349 24.698 ( -5.223 19.020 8.949) 21.659 25.255 ( -0.417 6.525 -0.064) 6.538 25.358 ( -0.090 4.096 0.774) 4.170 26.816 ( 0.613 1.619 0.506) 1.803 27.363 ( -14.481 -11.813 -6.995) 19.955 27.624 ( 19.956 -12.711 3.283) 23.887 28.993 ( -1.296 -7.032 -12.875) 14.728 ======================= Grid point 71 (34/144) ======================= q-point: (-0.14 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -0.527 11.990 24.698) 27.460 1.939 ( 24.747 5.035 -13.198) 28.494 2.567 ( 1.166 11.598 35.662) 37.519 3.166 ( -13.680 -13.586 7.731) 20.772 3.545 ( 0.756 -0.900 20.619) 20.652 3.863 ( -11.354 -1.782 7.534) 13.742 4.023 ( -1.841 -2.215 4.713) 5.523 4.292 ( -8.284 12.753 9.259) 17.804 4.495 ( 3.201 -5.930 -0.961) 6.808 4.763 ( 12.955 17.430 22.503) 31.274 5.117 ( -6.980 0.677 2.054) 7.307 5.341 ( -15.818 3.517 1.387) 16.263 5.385 ( -9.708 -1.719 12.230) 15.709 5.605 ( 4.051 1.402 -2.675) 5.053 5.897 ( -2.159 3.078 1.566) 4.073 6.167 ( -6.396 -9.951 10.601) 15.884 6.366 ( 5.411 -5.104 4.896) 8.905 6.585 ( 0.221 -5.295 -2.978) 6.079 6.700 ( 7.131 0.497 -5.421) 8.972 6.979 ( -5.772 4.841 5.300) 9.211 7.456 ( 2.247 -1.174 1.474) 2.933 7.658 ( 0.786 -17.443 12.796) 21.648 7.937 ( 1.607 -0.146 -20.207) 20.271 8.143 ( -8.104 7.704 -2.105) 11.378 8.492 ( -2.379 -2.140 3.827) 4.989 8.801 ( 11.759 -3.306 -7.182) 14.170 8.941 ( 5.311 -13.587 -7.433) 16.373 9.209 ( -2.988 1.382 3.513) 4.815 9.946 ( 4.323 10.028 5.502) 12.228 10.096 ( 3.319 7.090 -11.896) 14.241 10.303 ( -2.538 11.643 6.451) 13.550 10.502 ( 6.053 -8.135 1.808) 10.300 11.085 ( -4.748 6.574 8.827) 11.986 11.224 ( 0.980 8.583 4.770) 9.868 11.577 ( -3.596 -5.823 -21.730) 22.782 11.605 ( -3.983 -11.709 1.305) 12.436 12.097 ( -2.891 -3.407 0.511) 4.497 12.173 ( -4.013 2.593 -1.408) 4.980 12.413 ( 3.695 -0.926 3.163) 4.951 12.815 ( 7.754 -12.009 5.859) 15.449 13.355 ( -9.029 3.554 -10.285) 14.139 13.774 ( 4.890 0.885 9.668) 10.871 15.854 ( 9.753 -4.296 0.311) 10.662 16.208 ( -9.833 7.112 -17.900) 21.626 16.445 ( -4.374 11.949 -11.909) 17.428 16.833 ( 2.091 -14.623 -11.704) 18.846 17.452 ( 27.143 3.122 -2.575) 27.443 18.289 ( 3.523 3.614 0.167) 5.049 18.655 ( -0.142 3.549 6.495) 7.403 18.948 ( -0.336 -3.349 -4.831) 5.887 19.022 ( -8.619 -2.129 -2.800) 9.310 19.462 ( -0.502 -0.875 -2.034) 2.270 19.916 ( -1.883 4.973 2.398) 5.833 20.005 ( -2.951 -6.491 9.798) 12.118 20.312 ( -4.470 -8.397 19.929) 22.083 20.729 ( -0.507 -0.204 2.143) 2.212 21.065 ( -3.106 1.048 2.301) 4.005 21.506 ( -7.894 -3.484 -3.398) 9.274 22.269 ( -1.025 -1.954 0.997) 2.421 22.457 ( -1.500 1.741 1.400) 2.691 22.887 ( 23.749 0.743 -5.778) 24.453 23.663 ( 0.966 -0.504 2.317) 2.561 23.813 ( -2.554 7.080 -3.293) 8.215 24.096 ( 0.617 0.863 8.469) 8.535 24.355 ( -10.861 5.167 12.023) 17.006 24.602 ( 1.179 -4.752 8.346) 9.676 25.161 ( -0.640 3.602 2.117) 4.227 25.312 ( 0.827 2.702 -0.367) 2.849 26.799 ( 1.572 2.512 1.448) 3.298 27.310 ( -14.678 -5.919 -7.017) 17.312 28.026 ( 22.250 -5.489 2.559) 23.059 28.930 ( -12.393 1.044 -20.752) 24.194 ======================= Grid point 75 (35/144) ======================= q-point: ( 0.43 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 10.632 -0.000 6.611) 12.520 1.957 ( -33.748 0.000 27.443) 43.497 2.683 ( 4.312 -0.000 15.114) 15.717 2.984 ( -25.086 0.000 40.760) 47.861 3.026 ( -14.544 0.000 4.310) 15.169 3.854 ( -3.897 0.000 8.802) 9.626 3.932 ( 2.285 -0.000 7.007) 7.370 4.248 ( -0.378 0.000 -4.745) 4.760 4.610 ( -7.217 0.000 7.638) 10.508 5.112 ( -4.938 0.000 -4.069) 6.398 5.173 ( -15.162 0.000 2.455) 15.360 5.225 ( 6.915 -0.000 -1.195) 7.018 5.652 ( 8.015 -0.000 -15.434) 17.392 5.714 ( 9.027 -0.000 10.133) 13.571 5.853 ( 21.168 -0.000 46.482) 51.075 6.016 ( 3.224 -0.000 2.114) 3.855 6.453 ( -16.459 0.000 -7.033) 17.899 6.607 ( 4.666 -0.000 -4.121) 6.225 6.906 ( 15.060 -0.000 -11.618) 19.021 7.092 ( -13.898 0.000 -21.208) 25.357 7.142 ( 6.611 -0.000 -2.466) 7.056 7.533 ( 5.615 -0.000 -14.247) 15.313 7.869 ( -1.887 0.000 24.991) 25.062 8.087 ( -1.393 0.000 14.698) 14.764 8.512 ( -23.361 0.000 10.869) 25.766 9.044 ( -7.799 0.000 -22.132) 23.466 9.104 ( 0.175 -0.000 -7.946) 7.948 9.762 ( -0.497 0.000 -13.895) 13.904 9.874 ( -3.365 0.000 8.326) 8.981 10.202 ( 4.698 -0.000 -21.829) 22.329 10.433 ( 11.244 -0.000 15.538) 19.180 10.438 ( 5.579 -0.000 9.429) 10.956 10.680 ( 12.000 -0.000 -0.680) 12.020 11.242 ( 3.632 -0.000 -7.026) 7.909 11.509 ( -5.554 0.000 0.946) 5.634 11.573 ( -3.711 0.000 1.570) 4.030 11.884 ( -10.234 0.000 16.053) 19.038 11.910 ( 4.174 -0.000 14.766) 15.344 12.500 ( 1.528 -0.000 -4.543) 4.793 12.888 ( -6.034 0.000 2.518) 6.538 13.234 ( -0.834 0.000 -9.786) 9.822 13.399 ( 1.470 -0.000 1.955) 2.446 15.887 ( 7.939 -0.000 -10.824) 13.423 16.391 ( -2.173 0.000 -8.908) 9.169 16.532 ( -4.940 0.000 -16.826) 17.536 16.847 ( 2.870 -0.000 -6.270) 6.895 17.668 ( -5.536 0.000 -6.828) 8.790 18.014 ( 7.913 -0.000 -5.980) 9.919 18.924 ( 8.097 -0.000 -1.572) 8.248 19.193 ( -2.129 0.000 1.370) 2.532 19.282 ( 1.527 -0.000 -10.033) 10.148 19.478 ( 0.898 -0.000 6.366) 6.429 19.490 ( 0.514 -0.000 6.440) 6.460 20.047 ( -1.702 0.000 7.510) 7.700 20.234 ( -9.865 0.000 16.240) 19.001 20.867 ( -8.592 0.000 -13.058) 15.631 21.125 ( -1.844 0.000 3.721) 4.153 21.226 ( 8.233 -0.000 12.938) 15.336 22.090 ( -3.552 0.000 4.701) 5.892 22.657 ( 0.550 -0.000 0.054) 0.553 22.711 ( -1.632 0.000 -6.802) 6.995 23.680 ( -4.917 0.000 6.796) 8.388 23.879 ( 1.059 -0.000 -3.916) 4.057 24.043 ( -2.421 0.000 6.692) 7.116 24.681 ( -1.426 0.000 7.306) 7.443 25.441 ( 2.253 -0.000 -2.230) 3.170 25.470 ( 0.606 -0.000 -3.750) 3.799 25.852 ( 4.878 -0.000 -0.397) 4.894 26.639 ( -0.485 0.000 0.969) 1.083 26.750 ( 0.558 -0.000 2.049) 2.124 26.968 ( -0.806 0.000 -0.680) 1.055 28.780 ( 3.169 -0.000 -6.055) 6.834 ======================= Grid point 76 (36/144) ======================= q-point: (-0.43 -0.57 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 8.793 1.992 9.139) 12.838 1.796 ( -8.184 -0.680 11.762) 14.345 2.644 ( -26.711 -10.181 1.384) 28.619 2.924 ( -23.336 -9.229 39.580) 46.865 3.175 ( 8.722 -14.410 13.002) 21.278 3.690 ( -4.364 16.203 11.274) 20.216 3.966 ( -2.220 0.117 7.371) 7.699 4.253 ( -3.188 -1.318 -5.284) 6.310 4.661 ( 2.994 -10.106 7.294) 12.818 4.751 ( -13.048 11.747 -3.220) 17.849 5.122 ( -8.188 -0.877 -0.011) 8.235 5.481 ( 6.997 -10.425 2.657) 12.833 5.582 ( -9.174 1.894 -0.120) 9.369 5.690 ( -10.965 -1.349 -6.631) 12.885 6.059 ( 1.725 0.136 7.344) 7.545 6.222 ( -2.310 -3.744 26.034) 26.403 6.340 ( 11.860 6.038 0.359) 13.313 6.716 ( 5.373 -6.988 -4.239) 9.781 6.921 ( -0.631 -0.267 -16.011) 16.025 6.985 ( 15.778 4.668 -4.334) 17.016 7.140 ( 1.618 14.314 6.426) 15.774 7.590 ( 13.410 -4.050 -13.623) 19.540 7.840 ( -3.221 11.410 24.320) 27.056 8.191 ( 6.318 -6.598 6.410) 11.160 8.335 ( -14.017 -0.179 11.939) 18.413 8.827 ( -9.616 3.700 -21.188) 23.561 9.003 ( -3.578 9.645 -9.022) 13.683 9.611 ( 0.432 6.592 -10.322) 12.255 9.896 ( -8.714 -8.020 1.104) 11.894 10.180 ( 4.897 3.213 -4.281) 7.255 10.433 ( 2.814 0.097 -6.756) 7.319 10.657 ( -4.381 -8.323 -0.417) 9.415 10.801 ( 21.575 8.971 14.919) 27.723 11.358 ( 8.097 -4.442 -1.314) 9.328 11.488 ( -8.931 -4.402 4.268) 10.833 11.531 ( -1.663 0.352 -3.387) 3.789 11.839 ( -4.949 -0.995 11.784) 12.819 12.085 ( -0.778 -10.512 15.649) 18.867 12.502 ( 5.721 2.470 -1.528) 6.416 12.725 ( -8.030 8.662 -1.803) 11.948 13.279 ( 0.724 -8.306 -11.365) 14.095 13.456 ( 3.438 -1.948 6.087) 7.258 15.847 ( -0.571 7.831 -4.972) 9.294 16.231 ( 3.096 -0.096 -21.996) 22.213 16.545 ( -11.676 -9.751 -20.589) 25.599 16.940 ( 6.078 -5.054 -4.902) 9.301 17.534 ( 7.629 12.235 -4.682) 15.160 18.158 ( 7.172 -6.514 -1.374) 9.786 18.959 ( -3.523 0.459 -3.294) 4.845 19.052 ( 0.955 10.286 3.017) 10.762 19.289 ( 3.111 2.295 -7.531) 8.465 19.421 ( -1.498 4.769 6.879) 8.503 19.591 ( -1.260 -5.963 5.812) 8.422 20.056 ( -0.173 0.888 8.602) 8.649 20.185 ( -8.155 -0.271 12.974) 15.326 20.735 ( -6.748 -0.670 -13.621) 15.216 21.113 ( -3.636 -0.573 3.491) 5.073 21.374 ( 7.454 -1.148 12.231) 14.369 22.092 ( -2.523 -2.600 4.073) 5.451 22.636 ( -1.180 2.157 -1.404) 2.831 22.725 ( 6.228 -1.240 -2.960) 7.006 23.649 ( -3.907 -0.048 4.549) 5.997 23.893 ( 0.879 -1.888 -3.562) 4.126 24.044 ( -1.750 -0.028 7.168) 7.379 24.634 ( -0.645 6.467 7.251) 9.737 25.320 ( -5.786 10.882 -6.022) 13.717 25.413 ( -0.253 3.406 -3.176) 4.664 25.732 ( 5.415 20.998 6.405) 22.612 26.740 ( -0.216 -9.101 -0.233) 9.107 26.978 ( -1.191 -11.434 0.369) 11.502 27.018 ( 7.264 -15.977 1.984) 17.662 28.798 ( -1.015 -3.657 -8.357) 9.179 ======================= Grid point 77 (37/144) ======================= q-point: (-0.29 -0.57 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -2.300 -2.147 -10.770) 11.220 1.904 ( 25.962 0.903 19.424) 32.437 2.566 ( -23.041 -15.655 2.767) 27.993 3.011 ( -18.360 -14.112 24.443) 33.671 3.407 ( -2.349 17.312 26.614) 31.835 3.604 ( 8.661 -18.289 9.236) 22.244 3.907 ( -10.010 -0.864 -3.991) 10.811 4.178 ( -3.335 0.882 -3.377) 4.828 4.515 ( -8.560 3.979 1.389) 9.541 4.943 ( -16.873 -5.615 2.667) 17.982 5.035 ( -0.718 -16.329 6.805) 17.705 5.408 ( -17.901 -1.038 2.188) 18.064 5.540 ( 0.568 4.432 -6.810) 8.145 5.721 ( 5.278 -4.073 5.956) 8.940 6.056 ( -2.823 5.009 9.111) 10.774 6.156 ( -9.180 6.215 -1.551) 11.194 6.441 ( 2.439 -5.473 8.667) 10.537 6.675 ( 1.360 19.816 1.202) 19.899 6.782 ( 4.735 15.258 3.573) 16.371 7.043 ( 6.449 -3.397 -2.861) 7.830 7.205 ( 14.363 -4.974 8.271) 17.304 7.642 ( -2.926 12.404 20.414) 24.066 7.836 ( 10.075 -6.784 -8.466) 14.805 8.248 ( -1.018 -0.566 -7.208) 7.301 8.430 ( 4.404 -1.558 7.125) 8.520 8.650 ( -5.383 -5.104 -8.080) 10.969 8.779 ( 4.405 7.192 -12.158) 14.797 9.475 ( 2.955 11.912 -0.021) 12.273 9.984 ( -4.758 -11.354 3.039) 12.681 10.200 ( -1.717 -3.734 0.345) 4.124 10.355 ( -0.273 8.072 -13.729) 15.929 10.650 ( -3.175 0.001 -2.713) 4.176 10.984 ( 12.755 -0.696 11.079) 16.910 11.399 ( -5.388 1.267 -14.464) 15.487 11.417 ( -8.032 -0.548 5.529) 9.767 11.559 ( 2.750 -0.347 4.452) 5.244 11.915 ( 2.389 -5.096 10.888) 12.256 12.242 ( -4.534 -5.064 4.480) 8.141 12.487 ( -3.213 8.354 0.037) 8.950 12.594 ( 10.416 -1.929 3.513) 11.160 13.356 ( -2.458 -4.803 -14.798) 15.751 13.594 ( 3.941 -7.380 10.387) 13.337 15.720 ( -1.083 1.228 -0.305) 1.665 16.291 ( 7.225 -5.379 -26.194) 27.699 16.455 ( -11.561 -6.338 -18.619) 22.814 16.907 ( -4.133 9.182 -11.067) 14.962 17.540 ( 20.367 4.616 -1.873) 20.967 18.321 ( 7.802 -2.555 0.654) 8.236 18.794 ( -8.947 4.396 -1.377) 10.063 18.993 ( -1.833 2.927 5.728) 6.689 19.178 ( 3.274 11.807 -2.572) 12.519 19.409 ( 0.195 -1.666 0.914) 1.910 19.694 ( -2.176 -7.381 7.475) 10.728 20.059 ( -1.375 1.840 7.874) 8.202 20.167 ( -5.061 -1.984 11.337) 12.573 20.658 ( -4.606 -2.867 -11.401) 12.626 21.088 ( -3.675 -0.140 2.734) 4.583 21.472 ( 2.018 0.831 9.133) 9.390 22.142 ( -0.659 -4.245 2.848) 5.154 22.565 ( -2.198 3.625 -0.865) 4.327 22.863 ( 14.386 -2.596 -2.530) 14.836 23.634 ( -1.866 -0.784 2.588) 3.285 23.918 ( 0.084 -1.019 -4.106) 4.231 24.061 ( -1.003 -1.148 8.648) 8.781 24.539 ( -1.131 7.116 7.233) 10.209 24.960 ( -9.637 20.296 -0.370) 22.470 25.333 ( -1.470 4.226 -3.016) 5.396 25.474 ( -1.975 12.411 4.701) 13.418 26.833 ( 0.837 -2.686 -0.294) 2.829 27.050 ( -5.768 -7.348 -1.711) 9.496 27.584 ( 21.242 -23.651 4.238) 32.071 28.803 ( -6.291 -5.435 -11.537) 14.220 ======================= Grid point 78 (38/144) ======================= q-point: (-0.14 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -2.664 3.091 -14.824) 15.376 2.292 ( 25.982 -0.851 23.962) 35.355 2.689 ( -9.505 -19.577 6.230) 22.636 2.950 ( -5.149 9.165 4.266) 11.345 3.440 ( -5.083 -9.435 42.831) 44.151 3.753 ( -9.221 -0.213 -3.260) 9.783 3.966 ( 0.409 -10.689 -6.150) 12.339 4.198 ( -3.278 -7.564 1.471) 8.374 4.404 ( 0.545 -0.110 1.190) 1.314 4.828 ( -26.555 -11.960 12.631) 31.745 5.130 ( -9.389 6.218 6.968) 13.243 5.247 ( -6.817 6.495 1.903) 9.606 5.642 ( 8.854 -0.032 -5.330) 10.334 5.741 ( -2.626 -0.044 -2.072) 3.345 5.797 ( -8.039 7.696 9.702) 14.764 6.070 ( -3.791 1.348 17.422) 17.880 6.331 ( 0.151 10.317 8.000) 13.056 6.602 ( -4.290 -4.032 -8.818) 10.603 6.741 ( 9.699 5.354 8.426) 13.919 7.026 ( -3.556 7.942 -3.654) 9.438 7.431 ( 2.915 -11.844 12.253) 17.289 7.567 ( 2.785 9.521 12.994) 16.348 8.021 ( 12.978 -7.919 -5.303) 16.102 8.075 ( -9.059 5.032 -13.255) 16.825 8.510 ( 4.897 1.157 4.939) 7.051 8.785 ( 5.774 -8.703 -3.274) 10.945 8.890 ( 17.703 -4.658 -6.160) 19.314 9.307 ( 0.396 10.353 2.802) 10.733 10.051 ( -9.391 -0.334 1.325) 9.490 10.123 ( -5.904 8.114 -4.518) 11.005 10.296 ( -1.015 -9.125 -7.563) 11.895 10.584 ( 3.854 4.080 -6.286) 8.427 11.140 ( 4.865 2.036 6.385) 8.281 11.223 ( -8.380 -0.216 -16.332) 18.357 11.382 ( -7.106 -3.354 16.855) 18.597 11.583 ( 3.735 1.770 -2.299) 4.730 12.039 ( -0.785 -1.251 1.895) 2.402 12.176 ( -1.451 1.964 0.479) 2.488 12.453 ( 2.156 -0.243 8.067) 8.353 12.802 ( 11.808 -5.369 2.163) 13.150 13.254 ( -8.380 1.973 -16.391) 18.514 13.793 ( 1.485 -6.471 9.575) 11.652 15.839 ( 7.831 -10.096 4.709) 13.618 16.168 ( -8.408 6.975 -22.095) 24.649 16.518 ( -1.099 -9.049 -12.929) 15.819 16.629 ( 1.383 9.102 -14.410) 17.100 17.713 ( 18.546 1.472 -6.284) 19.637 18.401 ( 7.032 3.131 0.393) 7.707 18.676 ( -11.729 -6.443 -6.546) 14.897 18.906 ( -2.111 10.060 14.032) 17.394 19.036 ( 2.732 7.139 -4.784) 9.017 19.441 ( 0.883 -1.025 -2.210) 2.591 19.856 ( -0.131 -9.675 10.714) 14.436 20.018 ( -2.077 4.100 7.324) 8.647 20.208 ( -4.957 -5.289 12.466) 14.421 20.645 ( -3.601 -4.910 -5.998) 8.547 21.060 ( -1.684 0.666 2.025) 2.717 21.451 ( -2.735 3.530 4.445) 6.301 22.222 ( 0.626 -4.104 1.337) 4.362 22.478 ( -2.497 3.262 1.303) 4.309 23.082 ( 18.232 -2.632 -8.131) 20.136 23.657 ( 0.415 -2.121 2.806) 3.542 23.862 ( -2.595 4.695 -5.912) 7.983 24.118 ( -0.404 -2.311 8.979) 9.281 24.375 ( -11.250 8.849 11.100) 18.113 24.641 ( -3.128 6.443 5.934) 9.301 25.220 ( -2.098 4.848 -0.413) 5.299 25.357 ( -0.756 2.911 1.086) 3.197 26.866 ( 2.468 0.676 0.665) 2.644 27.068 ( -6.812 -4.574 -2.345) 8.534 28.160 ( 25.197 -12.397 2.551) 28.197 28.716 ( -13.457 -1.624 -15.386) 20.505 ======================= Grid point 83 (39/144) ======================= q-point: (-0.43 -0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -5.395 0.000 -7.628) 9.343 1.951 ( 23.394 -0.000 24.131) 33.609 2.190 ( -32.998 0.000 -3.987) 33.238 2.732 ( -22.676 0.000 38.150) 44.380 3.175 ( 5.983 -0.000 9.990) 11.644 3.812 ( -5.635 0.000 3.034) 6.400 3.960 ( -5.834 0.000 12.933) 14.188 4.188 ( -1.350 0.000 -8.405) 8.513 4.548 ( -13.944 0.000 3.874) 14.472 4.764 ( -20.146 0.000 9.361) 22.214 4.881 ( -5.391 0.000 -7.214) 9.006 5.304 ( -25.467 0.000 4.306) 25.829 5.485 ( 9.531 -0.000 5.998) 11.261 5.696 ( 4.277 -0.000 -13.320) 13.990 6.084 ( 1.274 -0.000 2.741) 3.023 6.314 ( 2.294 -0.000 31.773) 31.856 6.513 ( -9.973 0.000 -11.797) 15.447 6.722 ( 19.479 -0.000 7.198) 20.767 6.850 ( -1.102 0.000 -17.248) 17.283 7.174 ( 14.477 -0.000 -3.288) 14.846 7.258 ( 3.275 -0.000 2.906) 4.378 7.679 ( 6.452 -0.000 -2.294) 6.848 8.059 ( 3.980 -0.000 25.987) 26.290 8.248 ( 4.714 -0.000 2.535) 5.352 8.275 ( 5.679 -0.000 14.932) 15.975 8.721 ( -2.787 0.000 -24.945) 25.100 9.104 ( 3.646 -0.000 -10.085) 10.724 9.484 ( -6.458 0.000 -15.056) 16.382 9.764 ( -8.683 0.000 0.072) 8.683 10.224 ( -1.684 0.000 -4.395) 4.707 10.376 ( -3.926 0.000 -20.189) 20.567 10.540 ( -4.190 0.000 13.392) 14.032 11.162 ( 6.868 -0.000 24.118) 25.077 11.379 ( 1.081 -0.000 -1.017) 1.484 11.395 ( 6.433 -0.000 -5.545) 8.494 11.545 ( 1.142 -0.000 2.646) 2.882 11.839 ( -2.785 0.000 13.876) 14.153 12.042 ( 2.888 -0.000 20.770) 20.970 12.588 ( 6.868 -0.000 -0.761) 6.910 12.685 ( -9.414 0.000 -5.754) 11.033 13.187 ( 2.110 -0.000 -12.030) 12.214 13.499 ( 3.155 -0.000 5.980) 6.761 15.883 ( -5.440 0.000 -6.734) 8.656 16.176 ( -6.774 0.000 -18.882) 20.060 16.237 ( 0.697 -0.000 -29.531) 29.539 16.960 ( 6.333 -0.000 -7.106) 9.519 17.748 ( 12.841 -0.000 -2.659) 13.114 18.173 ( 7.617 -0.000 0.817) 7.660 18.864 ( -10.073 0.000 -8.357) 13.089 19.182 ( 0.175 -0.000 1.402) 1.413 19.279 ( 3.423 -0.000 -5.687) 6.638 19.490 ( -3.985 0.000 9.857) 10.632 19.552 ( 2.075 -0.000 3.680) 4.225 20.090 ( -3.226 0.000 10.978) 11.442 20.143 ( -4.108 0.000 11.120) 11.854 20.599 ( -7.143 0.000 -11.551) 13.581 21.075 ( -4.505 0.000 2.993) 5.409 21.498 ( 7.307 -0.000 12.333) 14.335 22.061 ( -1.111 0.000 3.414) 3.590 22.653 ( -1.054 0.000 0.599) 1.212 22.782 ( 10.459 -0.000 -4.198) 11.270 23.620 ( -3.369 0.000 3.552) 4.895 23.879 ( 1.623 -0.000 -4.410) 4.699 24.050 ( -1.481 0.000 7.467) 7.613 24.707 ( -0.891 0.000 7.924) 7.974 25.284 ( -8.599 0.000 -10.394) 13.490 25.408 ( -3.327 0.000 -3.591) 4.895 26.166 ( 15.432 -0.000 11.929) 19.505 26.636 ( -0.238 0.000 0.781) 0.816 26.770 ( -0.509 0.000 3.247) 3.287 26.993 ( 3.218 -0.000 0.516) 3.259 28.704 ( -5.146 0.000 -9.645) 10.932 ======================= Grid point 84 (40/144) ======================= q-point: (-0.29 -0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -7.449 -3.305 -10.841) 13.562 1.984 ( -26.354 -19.741 -2.592) 33.030 2.336 ( 24.935 1.578 24.540) 35.021 2.689 ( -13.512 -9.573 21.859) 27.423 3.355 ( 0.524 -13.064 5.249) 14.088 3.595 ( -21.217 3.440 -12.735) 24.983 3.907 ( -1.183 7.594 19.490) 20.951 4.131 ( -4.591 0.049 -5.728) 7.341 4.366 ( -21.519 -8.742 13.140) 26.686 4.637 ( -19.088 6.423 7.811) 21.602 4.868 ( 5.357 -8.646 4.009) 10.932 5.233 ( -8.048 -6.763 7.683) 13.021 5.631 ( 1.915 4.082 -0.627) 4.552 5.641 ( 3.117 -3.602 -8.589) 9.821 6.109 ( 2.074 0.797 0.823) 2.369 6.223 ( -11.277 9.850 -6.675) 16.393 6.430 ( -1.295 1.113 17.148) 17.233 6.787 ( -0.707 0.317 -6.001) 6.051 6.932 ( 7.912 -1.459 0.028) 8.046 7.223 ( 4.302 5.494 1.129) 7.068 7.364 ( 8.037 -0.548 9.511) 12.464 7.656 ( -4.088 2.175 2.948) 5.489 8.070 ( 6.210 11.352 13.892) 18.985 8.298 ( 6.053 0.376 13.378) 14.689 8.528 ( -0.975 5.529 -16.499) 17.428 8.610 ( 23.135 -2.211 0.568) 23.247 8.940 ( 6.113 11.147 -12.841) 18.070 9.569 ( 0.534 -4.304 -11.027) 11.849 9.707 ( -7.337 -12.842 -0.556) 14.801 10.116 ( -10.010 2.785 1.579) 10.510 10.336 ( -1.062 -7.037 -21.644) 22.784 10.492 ( -9.503 3.896 6.480) 12.144 11.166 ( -11.392 -1.652 22.828) 25.566 11.330 ( -5.538 1.348 -13.335) 14.502 11.439 ( 8.675 9.396 6.481) 14.336 11.624 ( 9.315 -0.462 2.006) 9.540 11.932 ( 5.114 -3.999 11.929) 13.581 12.216 ( 5.915 -1.674 17.906) 18.931 12.528 ( -5.985 4.092 -2.557) 7.688 12.681 ( 8.459 -2.512 -0.192) 8.826 13.208 ( -0.361 -4.804 -15.194) 15.940 13.563 ( 0.652 -3.141 7.122) 7.811 15.715 ( -5.650 3.184 -4.989) 8.182 16.133 ( -6.503 -8.780 -21.108) 23.768 16.217 ( 6.156 -3.039 -28.018) 28.847 16.970 ( 3.188 3.534 -12.122) 13.023 17.818 ( 13.625 5.831 -1.914) 14.943 18.326 ( 5.267 -6.534 2.495) 8.755 18.690 ( -12.160 1.880 -9.877) 15.778 19.092 ( 1.344 7.635 -0.221) 7.756 19.344 ( 4.407 -0.165 -1.550) 4.675 19.424 ( -3.031 5.286 12.662) 14.052 19.612 ( 0.253 -3.637 2.120) 4.218 20.060 ( -6.651 -0.656 9.227) 11.393 20.167 ( 0.484 1.403 11.142) 11.240 20.518 ( -5.188 -2.665 -7.009) 9.118 21.041 ( -4.301 -1.188 1.983) 4.882 21.583 ( 4.236 3.097 10.441) 11.685 22.092 ( 0.698 -2.724 2.287) 3.624 22.605 ( -1.867 3.630 0.613) 4.128 22.942 ( 13.730 -4.536 -5.185) 15.361 23.607 ( -1.738 -0.892 2.108) 2.874 23.891 ( 1.479 -0.973 -5.377) 5.661 24.063 ( -1.806 -0.545 8.327) 8.538 24.672 ( -0.780 6.387 8.245) 10.458 25.081 ( -10.053 10.023 -8.259) 16.423 25.333 ( -4.525 1.414 -3.742) 6.040 25.828 ( -3.233 34.717 10.978) 36.554 26.740 ( -0.331 -5.142 0.810) 5.216 27.026 ( 5.864 -0.263 1.698) 6.110 27.323 ( 17.960 -39.388 5.482) 43.635 28.613 ( -9.247 -2.652 -11.370) 14.894 ======================= Grid point 85 (41/144) ======================= q-point: (-0.14 -0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -2.104 -4.684 -11.764) 12.836 2.123 ( -20.700 -23.105 9.060) 32.317 2.514 ( -13.258 -11.005 5.690) 18.146 2.933 ( 20.389 -3.080 9.047) 22.517 3.349 ( -21.353 -18.070 -8.999) 29.385 3.591 ( -2.963 -8.567 19.974) 21.934 3.884 ( 6.228 4.099 12.698) 14.726 4.127 ( -1.057 -5.844 3.121) 6.709 4.325 ( -25.493 -3.602 19.895) 32.537 4.453 ( 3.168 0.212 3.540) 4.755 5.074 ( -6.052 -9.223 9.271) 14.410 5.275 ( 0.293 0.058 4.672) 4.681 5.527 ( -1.571 4.732 -3.385) 6.026 5.637 ( -5.779 -0.916 -12.366) 13.681 5.892 ( -10.413 8.186 -5.245) 14.246 6.165 ( 3.908 -1.217 4.171) 5.844 6.439 ( -3.920 0.984 13.085) 13.695 6.656 ( -3.947 12.475 -0.742) 13.106 6.996 ( 8.565 3.716 8.902) 12.901 7.166 ( -3.022 16.754 -2.114) 17.155 7.362 ( 4.493 -7.303 5.931) 10.426 7.795 ( -1.286 -15.942 5.113) 16.791 7.910 ( 1.922 20.044 12.607) 23.756 8.197 ( 5.277 11.823 -11.076) 17.039 8.592 ( 8.569 -5.716 12.389) 16.112 8.824 ( 11.480 3.417 -2.796) 12.300 9.001 ( 17.985 -4.315 -8.468) 20.342 9.454 ( -3.667 5.729 -6.094) 9.133 9.886 ( -10.023 -0.413 -4.380) 10.946 10.028 ( -7.064 -15.119 -2.529) 16.879 10.186 ( -9.701 12.366 -3.021) 16.005 10.473 ( 1.170 -12.197 -13.682) 18.367 11.113 ( -10.393 2.845 -6.775) 12.728 11.220 ( -12.830 -7.100 19.481) 24.383 11.407 ( 11.329 10.960 3.386) 16.122 11.698 ( 9.192 3.753 0.521) 9.943 12.040 ( 0.985 0.964 -0.383) 1.430 12.242 ( 3.306 4.466 4.920) 7.422 12.513 ( 1.980 -0.334 12.765) 12.922 12.867 ( 12.387 -5.539 -0.037) 13.569 13.138 ( -7.247 2.302 -17.520) 19.099 13.687 ( -1.983 -9.228 7.462) 12.032 15.760 ( 5.174 -10.413 3.077) 12.028 16.048 ( -7.303 -0.513 -24.616) 25.682 16.315 ( 6.279 -8.871 -17.911) 20.950 16.814 ( 2.776 12.457 -15.920) 20.405 17.874 ( 6.040 1.336 -4.990) 7.948 18.384 ( -14.141 -4.378 -8.064) 16.857 18.557 ( 7.595 4.600 2.034) 9.109 18.997 ( -0.743 4.897 -4.463) 6.667 19.279 ( 1.491 11.969 14.731) 19.039 19.436 ( 2.686 -1.180 -1.526) 3.307 19.741 ( 2.762 -10.317 8.033) 13.364 20.045 ( -4.809 -1.757 7.608) 9.170 20.153 ( -3.149 2.577 8.679) 9.585 20.525 ( -1.542 -3.932 -1.046) 4.352 21.041 ( -1.399 -2.144 1.583) 3.010 21.555 ( 0.834 7.125 6.741) 9.844 22.169 ( 1.640 -4.160 1.226) 4.637 22.515 ( -2.841 4.287 1.257) 5.294 23.158 ( 12.967 -5.055 -10.796) 17.614 23.631 ( 0.206 -2.381 2.098) 3.180 23.870 ( -1.703 2.377 -8.498) 8.987 24.086 ( -3.474 -2.164 7.903) 8.900 24.482 ( -12.118 15.337 14.498) 24.336 24.742 ( -5.966 10.305 1.549) 12.008 25.248 ( -3.797 2.639 -2.761) 5.385 25.423 ( -5.803 10.260 6.132) 13.287 26.803 ( -2.693 -4.582 0.073) 5.315 27.091 ( 8.634 2.430 2.100) 9.212 28.174 ( 29.477 -26.065 2.642) 39.437 28.487 ( -13.596 -2.063 -13.416) 19.212 ======================= Grid point 91 (42/144) ======================= q-point: (-0.29 -0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -33.942 0.000 1.208) 33.963 1.479 ( -12.268 0.000 4.630) 13.113 2.337 ( -23.566 0.000 2.386) 23.686 2.866 ( 29.849 -0.000 17.443) 34.572 3.064 ( -53.579 0.000 -19.872) 57.145 3.248 ( -3.794 0.000 3.815) 5.380 4.043 ( -4.498 0.000 26.370) 26.751 4.170 ( 3.188 -0.000 14.457) 14.805 4.175 ( 8.828 -0.000 -2.392) 9.146 4.656 ( -12.696 0.000 26.870) 29.719 4.828 ( 0.318 -0.000 -0.185) 0.368 5.127 ( 0.780 -0.000 5.634) 5.688 5.613 ( 1.117 -0.000 -12.842) 12.891 5.703 ( 2.902 -0.000 2.368) 3.746 6.042 ( -18.904 0.000 -18.690) 26.583 6.186 ( 6.670 -0.000 -0.761) 6.713 6.513 ( -1.470 0.000 7.954) 8.089 6.718 ( -6.351 0.000 4.445) 7.752 7.024 ( 9.206 -0.000 1.876) 9.395 7.262 ( -4.546 0.000 1.760) 4.874 7.422 ( 5.864 -0.000 7.430) 9.466 7.674 ( -6.046 0.000 3.616) 7.044 8.194 ( -1.414 0.000 -0.431) 1.478 8.445 ( 11.808 -0.000 18.795) 22.196 8.732 ( 8.809 -0.000 -2.549) 9.170 8.764 ( 21.405 -0.000 -5.574) 22.119 9.135 ( 7.064 -0.000 -14.184) 15.846 9.388 ( 3.610 -0.000 -8.277) 9.030 9.495 ( -11.011 0.000 -8.760) 14.070 10.021 ( -13.627 0.000 -0.258) 13.629 10.157 ( -1.699 0.000 -15.850) 15.941 10.523 ( -5.698 0.000 14.181) 15.283 11.034 ( -17.582 0.000 22.137) 28.269 11.212 ( -8.584 0.000 -15.714) 17.905 11.628 ( 7.614 -0.000 6.530) 10.031 11.775 ( 10.629 -0.000 2.180) 10.850 12.048 ( 12.711 -0.000 10.895) 16.742 12.387 ( 7.795 -0.000 25.757) 26.911 12.496 ( -0.275 0.000 -0.726) 0.777 12.706 ( 4.001 -0.000 -5.067) 6.456 13.104 ( -1.672 0.000 -14.337) 14.434 13.549 ( -2.667 0.000 3.195) 4.162 15.630 ( -8.557 0.000 -8.649) 12.167 15.938 ( 0.533 -0.000 -25.832) 25.838 16.184 ( 7.573 -0.000 -22.981) 24.197 17.000 ( 5.234 -0.000 -16.448) 17.260 17.895 ( -9.111 0.000 -5.639) 10.715 18.335 ( 4.932 -0.000 3.781) 6.215 18.588 ( 2.180 -0.000 -11.963) 12.160 19.186 ( -0.577 0.000 1.368) 1.484 19.361 ( 5.491 -0.000 -0.495) 5.514 19.509 ( -2.536 0.000 19.148) 19.315 19.579 ( 0.134 -0.000 -6.350) 6.352 20.003 ( -6.784 0.000 8.766) 11.084 20.248 ( 2.402 -0.000 12.905) 13.127 20.428 ( -4.622 0.000 1.692) 4.922 20.983 ( -4.122 0.000 0.487) 4.150 21.693 ( 3.608 -0.000 9.000) 9.696 22.093 ( 2.121 -0.000 1.693) 2.714 22.616 ( -3.201 0.000 2.262) 3.919 23.024 ( 13.235 -0.000 -9.353) 16.206 23.590 ( -0.758 0.000 1.712) 1.873 23.881 ( 1.399 -0.000 -7.649) 7.776 24.056 ( -3.537 0.000 7.433) 8.232 24.752 ( 0.296 -0.000 7.601) 7.607 25.038 ( -6.512 0.000 -9.065) 11.161 25.260 ( -7.315 0.000 -3.512) 8.114 26.625 ( 15.829 -0.000 20.269) 25.718 26.638 ( -0.106 0.000 0.583) 0.593 26.772 ( -1.532 0.000 4.221) 4.491 27.136 ( 9.642 -0.000 1.713) 9.793 28.436 ( -11.945 0.000 -11.688) 16.712 ======================= Grid point 92 (43/144) ======================= q-point: (-0.14 -0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -21.525 -34.761 7.780) 41.619 1.473 ( -5.900 -8.548 22.668) 24.934 2.020 ( -32.891 -6.106 -33.913) 47.636 2.567 ( -47.701 -22.150 12.703) 54.105 3.202 ( 14.996 -1.705 15.280) 21.477 3.327 ( -6.374 -13.774 4.235) 15.757 4.024 ( -4.879 3.811 29.801) 30.438 4.250 ( 11.248 5.070 10.410) 16.143 4.394 ( 14.488 9.394 13.700) 22.042 4.553 ( 6.428 0.247 12.989) 14.494 4.901 ( -4.949 -6.515 7.997) 11.440 5.245 ( 3.080 -7.145 3.644) 8.592 5.534 ( -2.787 0.936 -21.818) 22.015 5.668 ( -3.734 10.472 -0.294) 11.122 5.783 ( -10.208 -1.619 -6.611) 12.269 6.191 ( 4.003 4.320 -2.155) 6.271 6.535 ( -1.744 -1.196 10.745) 10.951 6.657 ( -8.387 0.852 1.985) 8.661 7.085 ( 1.495 1.064 2.464) 3.072 7.282 ( 0.440 -4.663 -6.116) 7.703 7.387 ( -4.296 11.314 0.574) 12.116 7.625 ( -1.828 -5.117 8.644) 10.210 8.149 ( 1.043 5.424 3.509) 6.543 8.539 ( 3.850 19.632 -0.635) 20.016 8.683 ( 12.080 -2.005 17.981) 21.755 8.941 ( -0.289 1.225 -5.241) 5.390 9.126 ( 15.366 1.647 -8.059) 17.430 9.367 ( -1.446 -1.769 -17.060) 17.213 9.641 ( -1.549 -19.003 -8.952) 21.063 9.828 ( -12.582 3.461 -2.667) 13.319 10.251 ( 4.614 -13.094 -6.668) 15.402 10.343 ( -9.601 17.150 9.674) 21.906 10.970 ( -16.558 -6.119 23.327) 29.253 11.060 ( -6.110 2.034 -11.176) 12.899 11.696 ( 11.310 6.536 2.659) 13.331 11.864 ( 8.067 2.428 1.133) 8.500 12.103 ( 1.465 4.723 0.031) 4.945 12.452 ( 10.406 9.272 12.904) 18.993 12.541 ( -2.646 -0.242 6.148) 6.697 12.854 ( 9.196 -10.234 -1.471) 13.837 13.067 ( -1.290 -0.484 -9.298) 9.399 13.530 ( -7.262 -5.300 2.759) 9.404 15.622 ( 0.616 -11.037 -3.297) 11.535 15.907 ( 3.763 -2.239 -24.878) 25.260 16.228 ( 6.699 -4.190 -18.352) 19.981 16.950 ( 5.809 6.434 -20.187) 21.970 17.688 ( -26.335 -5.132 -11.540) 29.206 18.335 ( 3.279 4.935 -0.428) 5.940 18.686 ( 10.615 -0.985 -2.067) 10.859 19.092 ( -0.114 9.211 -4.570) 10.283 19.441 ( 3.913 -1.192 1.198) 4.262 19.492 ( -2.822 6.682 15.380) 17.005 19.630 ( 3.809 -9.908 0.508) 10.627 19.983 ( -3.610 -0.757 10.090) 10.743 20.243 ( -1.437 6.119 12.575) 14.058 20.469 ( 0.149 -4.692 8.986) 10.139 20.978 ( -1.245 -3.471 0.003) 3.688 21.703 ( 1.819 5.616 5.849) 8.311 22.143 ( 2.359 -2.257 1.131) 3.455 22.551 ( -3.793 3.606 2.157) 5.661 23.157 ( 9.207 -4.035 -15.149) 18.181 23.608 ( 0.576 -1.589 2.032) 2.643 23.835 ( -4.505 1.492 -13.168) 13.997 24.036 ( -5.052 -0.752 6.648) 8.384 24.683 ( -6.291 15.007 12.029) 20.236 24.845 ( -4.853 9.879 -0.891) 11.042 25.191 ( -5.225 -2.038 -3.297) 6.506 25.722 ( -14.556 43.079 16.877) 48.502 26.735 ( -0.790 -1.895 1.667) 2.645 27.261 ( 13.720 1.551 2.637) 14.057 27.917 ( 33.634 -55.159 1.466) 64.621 28.261 ( -14.510 -0.988 -11.442) 18.505 ======================= Grid point 99 (44/144) ======================= q-point: (-0.14 -0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -23.924 0.000 24.828) 34.479 1.153 ( -52.051 0.000 -4.188) 52.219 1.759 ( 10.155 -0.000 43.316) 44.491 1.974 ( -25.107 0.000 32.765) 41.278 3.160 ( -3.853 0.000 7.253) 8.213 3.348 ( 4.763 -0.000 15.898) 16.596 4.041 ( -10.583 0.000 23.736) 25.988 4.605 ( -6.493 0.000 46.739) 47.188 4.618 ( 25.086 -0.000 12.273) 27.928 4.806 ( -1.553 0.000 -2.155) 2.656 4.863 ( 38.696 -0.000 10.921) 40.208 5.216 ( 4.595 -0.000 -2.882) 5.424 5.327 ( -16.132 0.000 -27.812) 32.152 5.654 ( -3.039 0.000 -4.904) 5.770 5.783 ( 1.343 -0.000 4.353) 4.556 6.337 ( -14.357 0.000 -1.891) 14.481 6.355 ( 7.369 -0.000 -3.394) 8.113 6.617 ( -9.231 0.000 16.109) 18.566 7.122 ( 0.688 -0.000 -9.993) 10.016 7.162 ( -2.457 0.000 -3.499) 4.275 7.519 ( -2.220 0.000 3.918) 4.503 7.520 ( -7.403 0.000 -3.026) 7.997 8.210 ( 2.234 -0.000 6.907) 7.260 8.698 ( -9.049 0.000 -7.357) 11.662 8.811 ( 7.382 -0.000 8.664) 11.382 8.927 ( -2.469 0.000 -8.395) 8.750 9.218 ( 8.475 -0.000 -17.208) 19.182 9.353 ( 4.235 -0.000 -7.212) 8.363 9.475 ( 3.166 -0.000 6.709) 7.418 9.709 ( -6.400 0.000 -7.388) 9.774 10.181 ( 6.248 -0.000 0.908) 6.314 10.438 ( -10.723 0.000 3.401) 11.249 10.813 ( -15.909 0.000 25.452) 30.015 11.026 ( 2.882 -0.000 -11.312) 11.674 11.874 ( 9.516 -0.000 -0.468) 9.527 11.937 ( 2.424 -0.000 -4.035) 4.707 12.248 ( 12.740 -0.000 20.434) 24.080 12.446 ( -11.405 0.000 -10.199) 15.300 12.788 ( 5.196 -0.000 12.350) 13.399 12.834 ( 16.190 -0.000 11.251) 19.715 12.994 ( -0.094 0.000 -7.425) 7.426 13.385 ( -12.355 0.000 -1.656) 12.465 15.462 ( -1.629 0.000 -6.740) 6.934 15.896 ( 10.956 -0.000 -18.304) 21.332 16.200 ( 5.334 -0.000 -16.413) 17.258 17.018 ( 9.436 -0.000 -22.212) 24.133 17.219 ( -37.583 0.000 -13.528) 39.943 18.412 ( -0.354 0.000 1.141) 1.195 18.810 ( 16.006 -0.000 -8.064) 17.923 19.183 ( -0.963 0.000 2.620) 2.792 19.469 ( -1.714 0.000 -16.461) 16.550 19.473 ( 2.670 -0.000 3.404) 4.326 19.592 ( -6.620 0.000 14.618) 16.047 20.085 ( 13.373 -0.000 24.181) 27.633 20.402 ( 4.865 -0.000 21.485) 22.029 20.422 ( -1.749 0.000 15.464) 15.563 20.935 ( 0.277 -0.000 -0.644) 0.701 21.781 ( 0.372 -0.000 3.598) 3.617 22.154 ( 1.998 -0.000 1.053) 2.259 22.545 ( -4.342 0.000 2.933) 5.240 23.134 ( 1.207 -0.000 -24.109) 24.140 23.614 ( 1.279 -0.000 3.261) 3.503 23.699 ( -13.774 0.000 -17.259) 22.081 24.009 ( -2.419 0.000 5.999) 6.468 24.824 ( 1.488 -0.000 6.617) 6.782 24.920 ( -0.319 0.000 -1.140) 1.184 25.069 ( -7.167 0.000 -2.103) 7.469 26.639 ( -0.054 0.000 0.247) 0.253 26.761 ( -2.088 0.000 4.420) 4.889 27.119 ( 14.124 -0.000 12.437) 18.819 27.469 ( 18.924 -0.000 5.169) 19.617 28.067 ( -12.566 0.000 -6.564) 14.177 ======================= Grid point 100 (45/144) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 35.053 -0.000 34.675) 49.306 1.729 ( 5.117 -0.000 42.620) 42.926 2.577 ( -24.339 0.000 44.393) 50.628 3.544 ( -9.288 0.000 33.290) 34.561 3.695 ( 1.744 -0.000 27.492) 27.548 4.165 ( -6.598 0.000 18.058) 19.226 4.445 ( -7.819 0.000 -12.185) 14.478 4.646 ( 19.048 -0.000 36.619) 41.277 4.678 ( 2.093 -0.000 -8.352) 8.611 5.183 ( 4.071 -0.000 -15.550) 16.074 5.203 ( 2.688 -0.000 3.828) 4.677 5.376 ( 2.331 -0.000 -1.512) 2.779 5.759 ( 4.306 -0.000 -2.567) 5.013 5.794 ( -8.918 0.000 12.879) 15.665 5.943 ( 13.263 -0.000 16.262) 20.985 6.052 ( -9.610 0.000 9.849) 13.761 6.198 ( -8.123 0.000 -14.608) 16.715 6.571 ( -1.080 0.000 -17.330) 17.364 6.721 ( 2.468 -0.000 -14.138) 14.352 6.999 ( -21.334 0.000 1.709) 21.402 7.394 ( 17.592 -0.000 9.441) 19.965 7.572 ( 8.745 -0.000 12.253) 15.054 8.156 ( 8.953 -0.000 -16.352) 18.643 8.451 ( -6.746 0.000 -14.457) 15.954 8.576 ( -6.761 0.000 -15.387) 16.807 8.713 ( -10.280 0.000 11.339) 15.305 8.860 ( -5.157 0.000 13.369) 14.329 9.409 ( -5.386 0.000 1.431) 5.573 9.788 ( 7.477 -0.000 -1.333) 7.595 10.145 ( -7.362 0.000 11.767) 13.880 10.207 ( 14.760 -0.000 2.330) 14.943 10.439 ( 4.967 -0.000 0.266) 4.974 10.919 ( 10.268 -0.000 -8.651) 13.427 11.103 ( -15.553 0.000 22.250) 27.147 11.526 ( -11.386 0.000 -17.587) 20.951 11.725 ( -2.919 0.000 -12.520) 12.856 11.836 ( -0.205 0.000 -8.764) 8.766 12.705 ( -3.071 0.000 -12.793) 13.156 12.814 ( 5.650 -0.000 5.516) 7.896 13.133 ( -19.608 0.000 11.932) 22.953 13.262 ( 3.625 -0.000 4.288) 5.615 13.474 ( 7.194 -0.000 2.028) 7.474 15.358 ( 6.572 -0.000 -9.436) 11.499 15.802 ( 8.473 -0.000 -22.194) 23.756 16.382 ( -4.991 0.000 -0.563) 5.023 16.732 ( 20.365 -0.000 -20.994) 29.249 16.995 ( 38.605 -0.000 11.758) 40.356 18.065 ( -12.157 0.000 -16.119) 20.190 18.958 ( 7.178 -0.000 -11.526) 13.579 19.019 ( 6.568 -0.000 -15.253) 16.607 19.145 ( -9.431 0.000 3.233) 9.969 19.478 ( -13.155 0.000 13.323) 18.723 19.676 ( -5.090 0.000 8.815) 10.179 20.327 ( -4.410 0.000 3.730) 5.776 20.717 ( 1.565 -0.000 2.947) 3.337 21.142 ( 3.484 -0.000 12.870) 13.333 21.553 ( 0.290 -0.000 5.579) 5.587 21.634 ( -8.002 0.000 -8.506) 11.678 22.211 ( 0.148 -0.000 1.768) 1.775 22.449 ( 6.032 -0.000 -2.986) 6.731 22.574 ( -1.040 0.000 4.044) 4.176 23.382 ( 5.369 -0.000 -6.575) 8.488 23.866 ( 1.996 -0.000 12.335) 12.496 24.201 ( 0.266 -0.000 10.092) 10.095 24.900 ( -6.072 0.000 4.665) 7.657 24.974 ( 4.887 -0.000 -1.759) 5.194 25.097 ( 3.653 -0.000 6.090) 7.102 26.650 ( -0.161 0.000 1.164) 1.175 26.681 ( -20.640 0.000 -9.398) 22.679 26.843 ( -4.246 0.000 6.900) 8.102 27.559 ( -13.568 0.000 -10.067) 16.895 27.952 ( 16.679 -0.000 -3.910) 17.131 ======================= Grid point 101 (46/144) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 16.753 -1.288 34.548) 38.418 2.055 ( 4.814 -6.059 40.950) 41.675 2.715 ( -0.251 -23.871 29.641) 38.059 3.531 ( -13.252 0.066 28.299) 31.248 3.755 ( -2.265 3.473 25.253) 25.592 4.058 ( -3.784 8.567 2.512) 9.696 4.376 ( -8.502 -0.682 -1.605) 8.679 4.576 ( 4.845 13.126 -6.000) 15.224 4.839 ( 2.148 2.225 44.209) 44.317 5.043 ( 1.045 10.616 -11.289) 15.532 5.212 ( -17.100 2.285 -4.557) 17.844 5.351 ( -3.572 -8.126 3.827) 9.666 5.653 ( -4.780 5.841 3.605) 8.364 5.697 ( -0.198 2.230 5.183) 5.646 5.916 ( 5.867 17.355 -0.844) 18.339 6.123 ( -6.640 -11.534 -5.320) 14.332 6.220 ( -5.403 -15.436 5.498) 17.254 6.663 ( -4.675 8.582 -5.837) 11.383 6.747 ( -8.194 0.038 10.880) 13.621 6.816 ( 2.047 -23.566 -12.081) 26.561 7.648 ( 15.845 -0.270 11.338) 19.485 7.693 ( 9.321 7.328 19.489) 22.813 8.146 ( -12.575 6.388 -14.110) 19.950 8.281 ( 13.555 -2.261 -12.078) 18.296 8.549 ( 1.650 4.265 -5.710) 7.316 8.765 ( -3.334 -1.875 13.091) 13.638 8.841 ( 6.158 -6.413 -5.866) 10.652 9.322 ( -3.917 5.306 1.387) 6.740 9.636 ( 0.197 11.184 -8.327) 13.945 10.065 ( -3.010 6.374 0.601) 7.074 10.403 ( -1.499 0.899 10.720) 10.862 10.550 ( 3.356 -11.532 -10.373) 15.869 10.946 ( 7.850 4.622 -8.698) 12.595 11.087 ( -15.443 -9.761 16.362) 24.525 11.417 ( 1.824 -1.747 -0.277) 2.541 11.709 ( -2.909 -4.852 -12.293) 13.532 11.815 ( -0.565 -2.291 -8.478) 8.800 12.467 ( -4.193 16.224 -3.418) 17.102 12.724 ( 1.440 9.029 2.619) 9.511 13.029 ( -12.260 -3.040 10.068) 16.153 13.420 ( 0.638 9.412 -0.626) 9.454 13.498 ( -1.400 -16.514 -2.078) 16.703 15.465 ( 6.031 -8.934 -13.184) 17.030 15.843 ( 11.213 1.282 -18.173) 21.393 16.295 ( -1.268 3.980 -1.209) 4.349 16.854 ( 16.689 3.994 -17.071) 24.205 17.451 ( 29.342 3.469 1.909) 29.608 17.950 ( -3.324 -9.934 -11.498) 15.554 18.745 ( -12.108 7.451 -9.804) 17.270 18.927 ( 3.693 6.570 -11.406) 13.671 19.280 ( -6.542 -2.755 7.969) 10.672 19.432 ( -1.070 -4.202 7.135) 8.350 19.667 ( -4.116 -4.087 6.171) 8.469 20.272 ( -4.637 1.891 5.288) 7.282 20.792 ( 4.275 -3.192 2.724) 5.990 21.143 ( -2.137 9.248 13.302) 16.341 21.344 ( -14.714 9.290 12.635) 21.505 21.462 ( -10.631 3.105 -9.061) 14.310 22.234 ( -0.852 -1.906 1.683) 2.682 22.546 ( 7.181 2.299 -1.692) 7.728 22.630 ( 9.526 -3.257 -5.717) 11.577 23.467 ( 8.992 -2.209 -7.171) 11.711 23.929 ( -0.095 -0.533 13.266) 13.277 24.248 ( 0.112 -1.073 10.180) 10.237 24.741 ( -3.322 10.727 5.543) 12.523 25.077 ( 2.671 -1.465 3.522) 4.656 25.160 ( 4.819 -0.673 2.991) 5.711 25.708 ( -10.820 40.140 14.624) 44.070 26.790 ( -0.949 -1.179 3.953) 4.233 27.177 ( -10.365 -9.702 -10.806) 17.842 27.628 ( -13.555 -35.291 -15.425) 40.830 28.146 ( 15.711 -2.340 -6.005) 16.981 ======================= Grid point 102 (47/144) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -20.436 0.309 41.158) 45.953 2.556 ( 27.816 -9.336 28.068) 40.604 3.220 ( 6.578 -10.518 16.040) 20.277 3.387 ( -14.926 4.043 16.089) 22.315 3.743 ( -5.584 2.421 19.360) 20.294 3.883 ( 2.136 9.939 0.311) 10.171 4.170 ( -8.031 11.920 1.881) 14.496 4.430 ( 1.102 5.458 -4.599) 7.222 4.745 ( -13.778 8.607 -8.754) 18.454 4.941 ( -8.323 -5.022 10.995) 14.676 5.195 ( -1.517 -6.507 24.933) 25.813 5.341 ( -14.534 -0.492 13.858) 20.088 5.551 ( 4.255 5.737 -0.679) 7.175 5.707 ( 2.755 8.774 -5.331) 10.630 5.822 ( 2.664 -8.856 6.040) 11.046 6.241 ( -3.229 -9.114 -6.028) 11.394 6.328 ( -7.256 -2.777 1.454) 7.904 6.586 ( -2.871 -11.378 22.892) 25.725 6.758 ( -4.034 -1.251 8.739) 9.706 7.116 ( -0.193 -5.835 -2.629) 6.403 7.436 ( -9.608 11.352 -3.565) 15.294 7.810 ( 8.780 6.744 21.630) 24.299 8.160 ( 0.453 -10.711 -3.861) 11.395 8.274 ( -6.064 13.557 6.779) 16.326 8.453 ( 10.624 -1.257 0.468) 10.708 8.911 ( 6.283 10.014 -5.182) 12.908 8.961 ( 19.192 -4.059 -6.749) 20.745 9.255 ( 1.644 -1.685 -1.733) 2.924 9.525 ( 5.582 0.919 -8.087) 9.869 9.875 ( -11.456 4.195 -14.532) 18.975 10.340 ( -13.679 -2.382 12.561) 18.723 10.616 ( 0.630 -0.131 -15.805) 15.818 10.937 ( 7.256 4.904 -10.992) 14.054 11.109 ( -12.759 -8.292 10.022) 18.221 11.595 ( 8.361 -4.665 11.801) 15.196 11.725 ( 1.653 -2.356 -3.550) 4.570 11.803 ( -3.794 -2.531 -10.499) 11.447 12.237 ( 1.100 8.474 3.428) 9.207 12.647 ( -1.808 0.550 -1.544) 2.440 12.984 ( -5.693 0.463 11.932) 13.229 13.198 ( 0.405 14.681 -3.683) 15.142 13.701 ( -5.515 -13.881 -6.828) 16.423 15.669 ( 3.803 -14.764 -14.079) 20.752 15.835 ( 7.374 5.672 -17.548) 19.861 16.259 ( 7.467 4.544 -1.025) 8.800 16.799 ( 6.647 12.903 -13.918) 20.109 17.515 ( 8.249 2.160 -11.326) 14.177 18.226 ( 8.761 -6.858 -4.348) 11.946 18.583 ( -5.673 -10.152 -4.449) 12.451 18.789 ( 3.080 9.972 -7.898) 13.088 19.168 ( -7.078 7.224 12.153) 15.811 19.486 ( -2.591 -0.594 4.793) 5.481 19.813 ( 0.156 -12.929 3.045) 13.283 20.209 ( -4.424 2.121 7.636) 9.076 20.869 ( -0.753 4.436 4.959) 6.696 20.944 ( -4.863 10.669 16.358) 20.126 21.066 ( -7.720 7.934 -2.364) 11.320 21.367 ( -5.752 -2.694 2.307) 6.758 22.259 ( -0.818 -1.594 1.620) 2.415 22.548 ( 1.197 2.344 2.339) 3.521 22.765 ( 7.685 -4.369 -13.275) 15.949 23.570 ( 8.300 -1.430 -8.131) 11.707 23.949 ( -2.271 2.460 12.713) 13.146 24.303 ( -1.919 -2.501 10.616) 11.074 24.567 ( -3.671 7.593 8.365) 11.878 25.033 ( 0.487 12.669 12.398) 17.733 25.234 ( 2.105 -0.672 1.883) 2.903 25.314 ( -0.690 6.449 5.451) 8.472 26.830 ( 1.096 -2.542 3.483) 4.449 27.080 ( -8.568 0.177 -5.877) 10.391 27.943 ( -12.930 -26.157 -18.743) 34.679 28.312 ( 15.384 0.052 -7.262) 17.011 ======================= Grid point 103 (48/144) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -20.846 1.101 30.049) 36.588 2.804 ( -16.114 10.512 10.211) 21.782 3.221 ( 21.215 -2.515 17.642) 27.706 3.359 ( -5.329 17.701 28.173) 33.696 3.686 ( 1.716 3.869 -10.425) 11.251 3.829 ( 3.423 3.310 8.019) 9.326 4.032 ( 0.057 -3.084 9.281) 9.780 4.362 ( 3.144 4.663 -8.219) 9.959 4.514 ( -15.565 -3.096 13.585) 20.891 4.984 ( -9.178 -3.936 1.807) 10.149 5.232 ( -7.090 -1.251 9.895) 12.237 5.284 ( -5.351 2.035 26.359) 26.973 5.538 ( 4.978 6.748 -2.298) 8.695 5.630 ( -0.220 -2.545 -6.490) 6.975 6.003 ( -7.989 3.121 7.229) 11.217 6.176 ( -1.307 -1.926 -7.003) 7.380 6.375 ( 1.061 -2.605 1.307) 3.102 6.588 ( -13.499 11.042 11.836) 21.076 6.887 ( -2.439 -4.897 0.880) 5.541 7.070 ( 2.656 -16.984 36.783) 40.602 7.500 ( -2.413 -11.394 -7.712) 13.969 7.800 ( 2.326 4.229 18.453) 19.074 7.975 ( -14.227 7.264 8.249) 17.978 8.383 ( 1.134 -4.376 -0.479) 4.546 8.587 ( 14.220 1.214 3.752) 14.757 8.738 ( 2.624 7.215 -10.401) 12.928 9.195 ( 13.961 0.724 4.317) 14.631 9.284 ( 3.784 1.574 -11.846) 12.535 9.609 ( 1.624 1.537 -8.437) 8.728 9.678 ( -0.038 -5.401 -11.273) 12.500 10.254 ( -16.732 0.477 5.314) 17.562 10.555 ( 1.999 -3.520 -18.735) 19.167 10.860 ( 1.845 7.288 -1.063) 7.593 11.172 ( -1.547 -6.396 2.308) 6.973 11.661 ( 1.664 1.929 -0.235) 2.558 11.810 ( -0.224 -0.526 13.217) 13.230 11.816 ( 0.880 -5.664 -9.050) 10.712 12.177 ( 0.574 3.051 1.230) 3.339 12.620 ( -6.855 -2.259 -6.266) 9.558 12.960 ( -4.444 2.946 12.148) 13.267 13.066 ( 14.360 6.030 2.680) 15.803 13.770 ( -8.718 -8.283 -9.518) 15.336 15.715 ( 0.941 6.449 -13.533) 15.021 15.918 ( 4.206 -16.485 -21.543) 27.451 16.250 ( 10.591 9.406 -5.658) 15.253 16.557 ( 6.132 18.896 -6.110) 20.784 17.592 ( 3.097 -6.957 -10.420) 12.906 18.185 ( -7.726 -0.117 -13.006) 15.128 18.614 ( 4.379 9.387 -3.393) 10.900 18.882 ( 6.189 -3.430 -5.006) 8.668 19.079 ( -3.171 -8.132 15.649) 17.919 19.472 ( -2.663 -0.205 4.628) 5.344 20.038 ( 0.517 -11.934 6.335) 13.521 20.167 ( -3.152 1.190 9.372) 9.960 20.598 ( -5.847 20.182 -3.200) 21.255 20.766 ( -6.503 3.296 17.480) 18.940 21.097 ( 6.393 -0.994 1.640) 6.674 21.383 ( -4.278 -5.247 2.347) 7.165 22.274 ( 0.140 0.081 1.112) 1.124 22.522 ( -1.619 1.676 3.605) 4.292 22.840 ( 1.072 -4.849 -15.007) 15.808 23.632 ( 5.890 0.218 -8.673) 10.486 23.893 ( -2.481 5.201 10.571) 12.039 24.326 ( -5.994 0.148 11.164) 12.673 24.520 ( -2.354 -3.065 9.340) 10.108 24.869 ( -1.493 10.621 12.335) 16.346 25.235 ( 0.058 1.449 3.973) 4.229 25.330 ( 1.427 -1.435 0.540) 2.094 26.888 ( -0.938 -0.267 0.565) 1.127 27.026 ( 2.059 -2.851 0.482) 3.550 28.039 ( -15.099 -13.571 -17.878) 27.052 28.457 ( 18.411 2.044 -8.114) 20.223 ======================= Grid point 104 (49/144) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -23.482 6.888 3.026) 24.657 2.474 ( -14.937 9.333 28.812) 33.769 2.960 ( -6.858 29.647 24.805) 39.259 3.482 ( -0.174 0.907 5.348) 5.427 3.682 ( 18.934 4.492 19.286) 27.397 3.882 ( 7.893 -0.963 -0.135) 7.953 4.266 ( 2.516 -11.844 -0.459) 12.116 4.360 ( 4.258 -5.573 10.449) 12.585 4.548 ( -3.801 -2.667 16.831) 17.459 4.730 ( -18.836 17.669 21.813) 33.805 5.242 ( -3.002 -1.847 5.868) 6.845 5.271 ( -9.112 13.442 -3.605) 16.635 5.388 ( -0.272 -0.709 10.803) 10.830 5.629 ( 0.609 12.190 0.226) 12.207 5.701 ( 4.362 1.460 -1.173) 4.747 6.272 ( -1.975 -0.602 6.020) 6.364 6.415 ( -3.359 -6.167 -3.742) 7.957 6.504 ( -1.995 -10.168 -13.599) 17.097 6.955 ( -6.090 -5.105 20.786) 22.253 7.403 ( 0.637 3.093 7.705) 8.327 7.598 ( -4.280 -10.512 23.391) 26.000 7.713 ( -20.860 0.974 1.598) 20.944 8.024 ( 9.609 -13.767 9.415) 19.248 8.277 ( 3.607 13.128 1.976) 13.757 8.699 ( -2.587 -6.809 -10.097) 12.450 8.832 ( 6.048 -8.143 3.490) 10.727 9.045 ( -10.860 5.571 -12.977) 17.815 9.288 ( 5.719 6.894 -14.554) 17.090 9.698 ( 10.440 -5.340 7.117) 13.717 9.808 ( 6.263 -2.498 -0.028) 6.743 10.005 ( -9.432 6.261 -1.082) 11.373 10.648 ( 9.510 0.332 -9.972) 13.784 10.744 ( -6.705 2.237 2.199) 7.403 11.311 ( 5.901 -8.628 -2.755) 10.810 11.646 ( -6.773 -1.046 2.550) 7.312 11.773 ( -4.222 2.522 5.748) 7.565 11.908 ( 5.190 -3.068 -4.410) 7.470 12.186 ( 0.861 -5.449 -2.310) 5.981 12.498 ( -5.661 4.361 -9.340) 11.760 12.963 ( -1.888 -3.400 9.195) 9.984 13.237 ( 17.657 2.029 13.250) 22.169 13.716 ( -10.524 -2.360 -8.871) 13.965 15.570 ( 2.040 6.495 -17.320) 18.610 16.078 ( 3.711 1.017 -20.909) 21.260 16.193 ( 8.371 -3.051 -19.070) 21.049 16.350 ( 13.384 19.925 5.529) 24.632 17.613 ( -17.309 -4.281 -8.961) 19.956 18.110 ( 2.644 -2.229 -7.589) 8.340 18.562 ( 7.125 2.329 -8.575) 11.389 18.800 ( -1.353 5.145 -2.611) 5.927 19.376 ( 1.498 -14.114 8.207) 16.395 19.482 ( -4.009 -3.438 6.533) 8.401 20.163 ( -2.216 9.426 0.639) 9.704 20.178 ( -4.117 -1.111 10.689) 11.508 20.307 ( 4.657 -0.246 9.080) 10.208 20.766 ( -2.482 -1.573 16.305) 16.567 21.141 ( 5.426 4.326 1.304) 7.061 21.468 ( -1.587 -8.644 -0.210) 8.791 22.264 ( 1.467 2.542 0.743) 3.027 22.494 ( -4.104 -0.983 3.490) 5.477 22.838 ( -5.042 -3.719 -14.478) 15.776 23.628 ( 2.936 2.855 -9.089) 9.969 23.827 ( -0.951 4.433 9.306) 10.352 24.263 ( -6.504 2.487 10.731) 12.793 24.638 ( -2.502 -9.408 8.307) 12.798 24.758 ( -3.303 4.504 13.228) 14.359 25.219 ( -0.372 1.969 2.502) 3.205 25.369 ( -2.933 -4.329 3.548) 6.319 26.841 ( -2.634 1.712 1.518) 3.489 27.197 ( 12.801 -4.880 1.686) 13.803 27.957 ( -14.859 -5.037 -15.777) 22.250 28.569 ( 18.819 6.667 -12.853) 23.745 ======================= Grid point 105 (50/144) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -11.138 12.351 1.482) 16.697 2.287 ( -10.756 20.624 29.404) 37.492 2.622 ( 2.437 11.502 40.855) 42.513 3.456 ( -0.624 5.325 22.209) 22.847 3.819 ( -5.136 6.957 21.586) 23.254 3.930 ( 5.655 17.306 31.825) 36.665 4.198 ( -7.477 1.402 11.715) 13.968 4.428 ( -0.682 -11.059 -9.079) 14.325 4.645 ( 5.064 -5.656 12.232) 14.396 4.794 ( 5.519 -11.367 19.700) 23.404 5.036 ( -2.775 3.146 -4.451) 6.116 5.240 ( 7.627 -0.035 -7.899) 10.980 5.434 ( 4.671 5.645 11.361) 13.518 5.585 ( 2.901 0.120 4.623) 5.459 5.727 ( 2.789 -0.474 -2.033) 3.484 6.234 ( 5.140 5.563 -0.546) 7.594 6.497 ( -5.384 -8.128 -2.497) 10.064 6.612 ( -3.908 -10.714 -12.776) 17.126 6.997 ( -5.185 2.144 21.196) 21.926 7.298 ( -4.436 7.609 6.612) 11.013 7.410 ( -11.584 6.657 -2.269) 13.552 7.680 ( -15.754 -0.729 1.338) 15.827 8.200 ( -0.198 -0.319 4.045) 4.062 8.387 ( 5.232 -13.906 8.034) 16.891 8.747 ( -6.282 -6.508 -11.055) 14.284 8.787 ( -9.353 0.368 -1.658) 9.506 9.038 ( 4.979 2.237 -10.614) 11.935 9.166 ( 7.503 0.303 -9.946) 12.462 9.660 ( -20.920 -0.991 1.598) 21.004 9.942 ( 15.223 2.819 15.645) 22.010 10.091 ( 8.280 -6.714 5.697) 12.087 10.561 ( 8.189 14.282 0.147) 16.464 10.747 ( -1.604 -4.889 -6.564) 8.340 11.418 ( -8.235 4.162 12.921) 15.878 11.625 ( -1.950 -9.036 -5.624) 10.820 11.755 ( 1.524 -2.709 -5.947) 6.710 12.006 ( 0.802 -6.990 -9.391) 11.734 12.306 ( -0.742 -0.279 -6.200) 6.251 12.395 ( 2.374 -8.655 0.273) 8.979 13.073 ( 0.843 -7.058 10.513) 12.690 13.401 ( 14.445 7.392 9.753) 18.932 13.567 ( -11.299 2.335 -1.207) 11.601 15.449 ( 6.143 6.854 -16.338) 18.752 15.944 ( 5.601 7.918 -22.701) 24.686 16.252 ( 18.766 16.728 8.490) 26.534 16.333 ( 9.260 -7.990 -25.020) 27.850 17.291 ( -25.260 7.791 -4.772) 26.862 18.230 ( 4.656 -5.038 -4.427) 8.164 18.600 ( -1.214 -7.578 -14.438) 16.351 18.776 ( 10.433 1.463 -4.067) 11.293 19.506 ( -3.268 -1.092 5.524) 6.511 19.567 ( -5.868 -9.030 8.429) 13.676 19.876 ( -3.869 13.996 -1.622) 14.611 20.245 ( -0.552 -4.005 8.066) 9.023 20.559 ( 9.519 -9.754 19.907) 24.126 20.829 ( -2.188 -1.609 13.393) 13.665 21.127 ( 7.140 5.055 4.872) 10.013 21.595 ( -0.999 -9.010 -4.043) 9.926 22.238 ( 2.236 3.287 0.984) 4.095 22.490 ( -6.106 -4.151 1.829) 7.606 22.753 ( -9.414 -1.265 -10.671) 14.286 23.542 ( 0.101 5.716 -8.999) 10.662 23.799 ( 0.997 3.035 9.669) 10.183 24.200 ( -4.102 2.112 10.498) 11.467 24.708 ( -5.346 -4.802 4.044) 8.246 24.842 ( -0.323 -8.329 15.162) 17.302 25.174 ( -0.779 3.665 0.586) 3.792 25.475 ( -8.730 -16.324 10.705) 21.385 26.804 ( -1.553 1.127 3.315) 3.831 27.435 ( 17.204 -2.866 0.403) 17.446 27.784 ( -14.022 -0.008 -14.712) 20.324 28.514 ( 15.455 19.026 -21.032) 32.299 ======================= Grid point 106 (51/144) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 17.270 7.878 27.048) 33.044 1.850 ( -3.012 28.898 34.542) 45.137 2.711 ( -10.502 3.043 37.579) 39.137 3.477 ( -2.853 1.272 49.724) 49.822 3.613 ( -3.092 5.430 25.604) 26.355 4.050 ( 10.344 0.371 32.200) 33.823 4.303 ( 2.309 -7.430 14.274) 16.257 4.590 ( -1.505 -13.136 -10.050) 16.608 4.631 ( -10.248 3.403 -3.508) 11.354 5.030 ( 10.320 -3.310 -2.045) 11.030 5.181 ( 13.506 -9.371 0.893) 16.463 5.331 ( 3.125 9.044 4.500) 10.574 5.497 ( 17.626 -7.218 4.906) 19.668 5.695 ( 0.415 -8.670 9.130) 12.597 5.772 ( 2.844 -0.461 4.423) 5.279 6.221 ( 3.859 4.039 -4.203) 6.991 6.397 ( -10.416 9.485 1.179) 14.136 6.673 ( -2.846 -7.446 -15.220) 17.181 6.881 ( 2.087 15.795 -9.901) 18.758 7.107 ( -16.748 -0.800 17.057) 23.918 7.346 ( 2.084 -0.947 0.620) 2.372 7.468 ( -10.092 0.645 0.164) 10.114 8.206 ( 0.790 3.228 -5.432) 6.368 8.536 ( -7.834 -5.119 -9.640) 13.435 8.644 ( -9.655 -3.724 -12.823) 16.478 8.784 ( -2.032 -5.168 10.258) 11.665 8.920 ( -3.462 8.197 -2.178) 9.161 9.434 ( 9.811 -11.602 5.138) 16.040 9.499 ( -9.491 -5.343 -1.336) 10.973 10.095 ( 15.013 5.588 16.249) 22.818 10.215 ( -5.399 -2.372 4.465) 7.397 10.447 ( 5.903 9.401 1.704) 11.231 10.813 ( 8.073 -2.947 -10.328) 13.436 11.250 ( -12.805 6.653 21.697) 26.057 11.636 ( -8.967 -6.948 -18.763) 21.925 11.838 ( 3.358 -2.016 -6.282) 7.403 11.914 ( -5.606 7.216 -17.219) 19.493 12.492 ( 5.788 -18.595 8.055) 21.075 12.630 ( 1.524 -13.365 -5.665) 14.596 13.277 ( 1.040 -7.039 9.876) 12.172 13.302 ( 0.738 7.761 -0.691) 7.827 13.439 ( 0.168 12.647 10.514) 16.447 15.373 ( 7.289 6.215 -10.715) 14.372 15.830 ( 5.876 3.616 -24.891) 25.830 16.319 ( 18.511 4.793 6.448) 20.179 16.501 ( 16.957 -6.324 -20.266) 27.171 16.910 ( -7.004 11.958 1.268) 13.916 18.228 ( -7.425 -0.545 -11.406) 13.621 18.754 ( 7.450 -11.765 -8.124) 16.122 18.900 ( 9.121 -3.928 -10.022) 14.108 19.410 ( -0.896 13.117 -0.085) 13.148 19.580 ( -17.423 -4.497 8.350) 19.837 19.699 ( -2.430 2.462 6.508) 7.370 20.320 ( -2.106 -3.579 4.948) 6.460 20.742 ( -0.905 3.300 6.277) 7.149 20.983 ( 6.864 -9.065 13.556) 17.694 21.271 ( 17.241 -4.924 15.183) 23.495 21.679 ( -3.541 -6.026 -7.418) 10.192 22.220 ( 1.895 2.384 1.228) 3.283 22.483 ( -9.911 -4.797 -1.748) 11.148 22.620 ( -6.854 2.174 -1.150) 7.282 23.418 ( 0.282 4.940 -7.748) 9.194 23.815 ( 2.405 1.799 10.897) 11.303 24.180 ( -1.299 1.066 10.134) 10.272 24.791 ( -3.325 -9.714 2.868) 10.661 24.994 ( 1.300 -3.081 9.701) 10.262 25.089 ( -0.012 5.741 -0.423) 5.756 25.876 ( -12.800 -45.427 15.847) 49.785 26.789 ( -1.407 0.353 4.172) 4.417 27.512 ( -9.716 14.374 -15.420) 23.212 27.652 ( 14.619 0.281 -2.700) 14.869 28.104 ( 2.265 31.832 -21.772) 38.632 ======================= Grid point 108 (52/144) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -19.197 0.000 49.174) 52.788 2.209 ( 12.340 -0.000 37.074) 39.074 2.747 ( 35.569 -0.000 17.228) 39.521 3.484 ( -14.988 0.000 29.981) 33.519 3.795 ( -7.820 0.000 20.512) 21.952 4.103 ( -5.914 0.000 7.148) 9.277 4.276 ( -3.404 0.000 -7.493) 8.230 4.777 ( 9.661 -0.000 -3.366) 10.231 4.784 ( -39.673 0.000 7.609) 40.396 5.106 ( -2.835 0.000 35.590) 35.703 5.129 ( 2.552 -0.000 -15.280) 15.492 5.272 ( -4.488 0.000 11.959) 12.774 5.614 ( -8.749 0.000 -8.975) 12.534 5.713 ( 0.570 -0.000 19.134) 19.143 5.863 ( -5.301 0.000 -19.114) 19.835 6.043 ( -6.242 0.000 7.114) 9.464 6.313 ( 7.659 -0.000 5.482) 9.419 6.472 ( 0.376 -0.000 -18.815) 18.819 6.616 ( -10.428 0.000 15.117) 18.364 6.787 ( 5.642 -0.000 -3.906) 6.863 7.793 ( 6.910 -0.000 2.813) 7.461 7.916 ( 0.904 -0.000 18.955) 18.976 8.039 ( -8.301 0.000 -6.978) 10.844 8.277 ( -0.526 0.000 2.740) 2.790 8.671 ( -7.629 0.000 -4.742) 8.983 8.740 ( 26.456 -0.000 -17.551) 31.748 9.007 ( 27.863 -0.000 8.441) 29.114 9.332 ( -4.992 0.000 2.121) 5.424 9.563 ( -13.240 0.000 -11.605) 17.606 10.232 ( -3.015 0.000 -30.198) 30.349 10.372 ( 9.452 -0.000 12.651) 15.792 10.465 ( -5.050 0.000 9.135) 10.438 10.821 ( -21.370 0.000 14.835) 26.014 11.018 ( 4.828 -0.000 -12.660) 13.549 11.460 ( 8.578 -0.000 6.058) 10.501 11.609 ( -0.602 0.000 -5.315) 5.349 11.773 ( 0.480 -0.000 -4.844) 4.868 12.534 ( -3.877 0.000 -12.449) 13.038 12.691 ( -18.931 0.000 12.875) 22.894 13.039 ( 1.832 -0.000 14.693) 14.807 13.287 ( -1.137 0.000 -6.531) 6.630 13.482 ( -3.934 0.000 -2.473) 4.647 15.397 ( 6.417 -0.000 -20.643) 21.617 15.979 ( 16.817 -0.000 -9.587) 19.358 16.312 ( 0.435 -0.000 -4.272) 4.294 17.004 ( 10.549 -0.000 -13.619) 17.227 17.677 ( -8.112 0.000 -19.439) 21.064 17.917 ( 34.723 -0.000 3.374) 34.887 18.501 ( -25.637 0.000 -12.402) 28.479 19.050 ( 4.969 -0.000 -14.937) 15.742 19.230 ( 3.692 -0.000 5.518) 6.640 19.438 ( -0.816 0.000 13.669) 13.693 19.604 ( -5.157 0.000 6.869) 8.589 20.252 ( -4.762 0.000 6.466) 8.030 20.846 ( 7.764 -0.000 3.948) 8.710 21.201 ( -25.508 0.000 17.767) 31.086 21.255 ( -2.052 0.000 11.008) 11.198 21.341 ( -10.650 0.000 -10.320) 14.830 22.223 ( -0.482 0.000 3.014) 3.052 22.605 ( 1.127 -0.000 2.535) 2.774 22.677 ( 8.458 -0.000 -15.224) 17.416 23.557 ( 12.654 -0.000 -9.179) 15.633 23.957 ( -2.195 0.000 13.465) 13.643 24.262 ( -1.958 0.000 8.933) 9.145 24.831 ( -3.524 0.000 6.850) 7.703 25.101 ( 8.020 -0.000 -1.394) 8.140 25.234 ( 4.893 -0.000 4.871) 6.905 26.181 ( -18.355 0.000 -3.444) 18.676 26.663 ( 0.352 -0.000 1.985) 2.016 26.795 ( -3.479 0.000 5.000) 6.091 27.192 ( -11.320 0.000 -6.008) 12.815 28.298 ( 15.757 -0.000 -5.678) 16.749 ======================= Grid point 109 (53/144) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -18.134 8.112 43.962) 48.243 2.668 ( 11.507 -17.286 31.995) 38.143 3.279 ( 29.516 -7.337 8.246) 31.513 3.317 ( -20.735 6.808 20.406) 29.878 3.786 ( -10.705 -1.933 22.735) 25.204 4.024 ( -2.093 3.273 6.662) 7.712 4.177 ( -6.967 4.195 -5.748) 9.959 4.354 ( -31.541 0.608 11.102) 33.443 4.793 ( 5.601 14.239 -3.673) 15.736 4.924 ( -3.628 6.262 -2.885) 7.791 5.232 ( -7.150 -0.840 8.941) 11.479 5.294 ( 5.660 1.084 27.472) 28.070 5.520 ( -8.370 -6.307 -2.190) 10.706 5.792 ( 2.041 1.507 -10.152) 10.464 5.913 ( 3.867 7.933 5.387) 10.340 6.001 ( -6.477 -20.021 12.398) 24.424 6.195 ( 4.296 4.773 -8.483) 10.640 6.572 ( -2.487 -0.413 24.229) 24.359 6.741 ( 0.209 -8.384 -5.227) 9.882 6.862 ( 5.664 -11.372 -3.366) 13.143 7.589 ( -15.427 16.700 -5.225) 23.328 7.873 ( -11.184 -8.417 -3.146) 14.347 8.100 ( 1.858 7.615 25.599) 26.772 8.284 ( -11.195 -2.804 15.769) 19.541 8.567 ( 11.862 3.354 -21.691) 24.949 9.046 ( 22.957 -3.926 -15.297) 27.864 9.216 ( -1.810 5.413 -5.606) 8.000 9.322 ( 11.338 2.603 3.703) 12.208 9.447 ( 7.410 -3.946 0.902) 8.443 9.931 ( -5.025 12.936 -24.878) 28.487 10.304 ( -9.045 9.141 14.792) 19.600 10.545 ( 2.590 -2.773 -7.912) 8.775 10.789 ( -15.623 -11.865 11.561) 22.771 11.036 ( 6.101 -1.542 -11.312) 12.944 11.603 ( 2.691 -3.930 -1.145) 4.899 11.673 ( 5.206 -6.302 3.938) 9.073 11.785 ( 3.798 1.549 2.708) 4.915 12.377 ( -3.704 7.247 3.268) 8.770 12.552 ( -11.636 -0.672 -0.071) 11.656 13.040 ( -1.208 3.832 15.545) 16.056 13.346 ( -4.894 1.925 -6.367) 8.258 13.390 ( -2.712 -7.653 -6.712) 10.534 15.467 ( 6.773 -8.317 -23.047) 25.421 16.019 ( 8.659 11.155 -8.734) 16.604 16.371 ( 10.251 -3.554 -5.208) 12.034 16.952 ( -2.533 5.130 -11.833) 13.144 17.541 ( 2.066 4.161 -17.647) 18.248 18.208 ( -16.859 -0.775 -12.919) 21.254 18.365 ( 21.896 -12.322 2.938) 25.297 18.968 ( 4.583 8.433 -10.428) 14.173 19.255 ( -2.689 4.143 7.328) 8.837 19.486 ( 0.194 0.673 9.502) 9.528 19.641 ( -0.820 -8.366 4.348) 9.464 20.213 ( -4.398 1.581 8.398) 9.611 20.912 ( -11.410 4.686 14.784) 19.254 21.018 ( 1.187 -2.106 9.888) 10.179 21.088 ( -11.749 7.478 -8.265) 16.195 21.300 ( -3.215 -0.945 7.065) 7.819 22.237 ( -0.804 -1.198 3.837) 4.099 22.605 ( 1.145 2.132 0.393) 2.451 22.704 ( 1.383 -2.611 -13.137) 13.465 23.648 ( 9.869 0.635 -9.418) 13.656 23.971 ( -4.294 -0.542 12.583) 13.307 24.265 ( -4.658 -1.404 7.999) 9.363 24.729 ( -1.842 10.336 7.972) 13.182 25.206 ( 7.525 0.556 2.585) 7.976 25.293 ( 4.718 1.211 2.674) 5.557 25.609 ( -4.882 28.717 6.279) 29.798 26.802 ( -0.655 -2.818 3.852) 4.818 26.938 ( -5.376 -9.185 -5.871) 12.155 27.248 ( -11.105 -27.716 -7.552) 30.798 28.447 ( 13.611 -1.027 -7.456) 15.553 ======================= Grid point 110 (54/144) ======================= q-point: ( 0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -16.345 5.924 28.540) 33.418 2.822 ( -23.157 11.787 19.015) 32.198 3.244 ( 3.805 -16.149 18.959) 25.193 3.644 ( 11.377 3.333 8.962) 14.861 3.750 ( 0.956 -0.464 9.999) 10.055 3.947 ( -14.513 7.375 18.679) 24.777 4.003 ( -8.787 0.491 8.943) 12.547 4.272 ( -5.841 -8.287 11.552) 15.371 4.469 ( -1.656 12.765 -9.623) 16.071 4.940 ( 5.402 0.898 -0.854) 5.542 5.137 ( -7.375 -1.205 6.032) 9.604 5.451 ( 7.309 2.837 25.553) 26.728 5.524 ( -6.291 -2.408 -6.769) 9.549 5.793 ( 12.056 5.433 1.074) 13.267 5.882 ( -0.979 -4.778 5.281) 7.189 6.148 ( -0.394 0.717 -12.249) 12.276 6.321 ( 2.380 -10.471 4.173) 11.520 6.696 ( -0.545 -3.236 2.135) 3.915 6.780 ( -3.546 5.318 30.643) 31.303 7.086 ( -3.250 3.885 12.181) 13.192 7.239 ( 0.196 -12.739 -13.685) 18.698 7.702 ( -30.762 -4.876 7.205) 31.969 8.020 ( -3.199 10.609 21.333) 24.039 8.351 ( 4.594 -5.120 4.343) 8.135 8.554 ( -2.194 -0.679 -15.997) 16.161 8.927 ( -6.393 11.346 -8.518) 15.562 9.306 ( -1.436 2.840 -6.991) 7.681 9.342 ( 11.950 -0.910 -10.309) 15.808 9.624 ( -3.984 0.472 -12.179) 12.823 9.777 ( 29.223 2.827 8.124) 30.462 10.198 ( -2.116 2.119 16.249) 16.523 10.461 ( -3.893 3.379 -19.453) 20.124 10.840 ( -6.534 -5.612 5.786) 10.377 11.142 ( 7.849 -4.743 -5.625) 10.758 11.622 ( -2.837 -1.794 -10.736) 11.249 11.748 ( -1.683 0.964 1.435) 2.413 11.905 ( 9.990 -1.377 11.696) 15.443 12.265 ( -3.046 6.062 5.751) 8.893 12.483 ( -5.271 -3.477 -3.040) 7.008 12.979 ( -9.686 3.836 14.013) 17.461 13.284 ( 8.999 1.085 -0.302) 9.069 13.472 ( -6.560 -9.923 -10.784) 16.056 15.633 ( 4.432 -12.262 -18.706) 22.801 15.848 ( 3.734 10.171 -16.083) 19.392 16.476 ( 10.833 6.178 -12.668) 17.777 16.824 ( 3.128 5.022 -0.592) 5.946 17.422 ( -7.835 -0.363 -18.165) 19.786 18.074 ( -4.281 -2.168 -10.539) 11.581 18.779 ( 12.540 -6.239 2.040) 14.154 18.863 ( 6.895 1.986 -8.108) 10.827 19.116 ( -4.689 9.980 11.216) 15.728 19.474 ( -1.893 1.874 6.169) 6.719 19.837 ( -0.520 -13.199 3.222) 13.597 20.174 ( -3.410 1.146 10.050) 10.674 20.741 ( -15.586 4.267 17.909) 24.122 20.784 ( -5.853 9.811 -7.347) 13.583 21.191 ( 10.874 -2.396 5.737) 12.526 21.293 ( -4.138 -1.542 4.618) 6.390 22.266 ( -0.788 -1.608 4.051) 4.429 22.568 ( 0.303 3.561 0.046) 3.574 22.702 ( -3.076 -3.503 -11.564) 12.468 23.689 ( 5.636 1.407 -7.920) 9.822 23.959 ( -3.768 1.249 9.605) 10.392 24.264 ( -6.352 -2.597 8.958) 11.284 24.574 ( -0.842 8.486 8.191) 11.824 25.146 ( 1.364 16.811 9.830) 19.522 25.294 ( 2.210 2.638 2.678) 4.361 25.381 ( 3.655 4.250 1.410) 5.780 26.856 ( -1.872 -1.918 -0.153) 2.684 26.993 ( 4.284 -6.375 1.317) 7.792 27.516 ( -13.643 -23.186 -12.003) 29.459 28.586 ( 12.074 -2.266 -9.966) 15.819 ======================= Grid point 111 (55/144) ======================= q-point: (-0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -10.689 9.359 10.414) 17.615 2.505 ( -18.396 5.586 28.860) 34.678 3.401 ( -8.058 16.232 28.558) 33.823 3.482 ( -6.067 3.532 0.718) 7.056 3.791 ( -11.842 -4.553 22.200) 25.570 3.951 ( 13.041 -1.360 1.527) 13.200 4.078 ( 1.084 -9.848 -4.082) 10.716 4.213 ( -11.464 -6.643 7.377) 15.165 4.543 ( 6.675 -3.266 11.718) 13.876 4.928 ( 3.282 5.408 4.380) 7.695 5.219 ( 4.981 -5.487 6.305) 9.730 5.385 ( -6.707 7.126 -2.403) 10.076 5.574 ( 9.687 4.701 19.487) 22.264 5.811 ( 8.114 16.608 -3.749) 18.860 5.930 ( 4.288 5.261 4.527) 8.158 6.108 ( -6.143 -5.950 9.425) 12.727 6.412 ( -1.192 4.647 3.172) 5.752 6.436 ( -0.188 7.524 1.235) 7.627 6.758 ( -8.993 -10.174 -1.883) 13.709 7.292 ( -7.759 -12.372 0.475) 14.611 7.463 ( 1.026 -5.247 4.510) 6.994 7.609 ( -13.415 -8.608 31.357) 35.175 7.915 ( -3.974 -2.233 17.236) 17.828 8.425 ( -10.907 -3.906 -17.866) 21.294 8.494 ( 3.948 2.683 -3.411) 5.867 8.724 ( -5.975 -2.619 0.425) 6.538 9.058 ( -7.209 12.171 -10.955) 17.892 9.338 ( -1.675 0.264 -5.156) 5.427 9.698 ( 1.533 -3.041 -13.618) 14.037 9.973 ( 18.132 11.202 6.677) 22.334 10.244 ( 15.302 6.117 16.363) 23.223 10.418 ( -4.413 -11.294 -7.259) 14.132 10.870 ( 1.918 -1.120 -3.303) 3.980 11.290 ( 8.156 -4.265 -5.559) 10.752 11.565 ( -2.245 -0.674 -11.326) 11.566 11.669 ( -9.096 2.243 2.776) 9.771 12.049 ( 9.906 -0.127 4.554) 10.903 12.149 ( -2.297 5.228 1.175) 5.830 12.465 ( -3.799 0.125 -2.094) 4.340 12.879 ( -10.535 -2.324 12.680) 16.649 13.450 ( 3.752 -6.901 -9.027) 11.966 13.502 ( 3.494 -2.338 3.766) 5.644 15.657 ( 1.576 5.873 -7.098) 9.347 15.862 ( 6.561 -11.849 -30.208) 33.106 16.358 ( 6.066 9.250 -17.676) 20.852 16.802 ( 13.726 14.111 5.418) 20.418 17.267 ( -19.744 -6.764 -15.062) 25.738 18.092 ( 5.098 -2.713 -6.600) 8.770 18.730 ( 6.401 10.979 -4.699) 13.549 18.887 ( -1.165 7.072 0.706) 7.203 19.174 ( -0.005 -12.581 8.290) 15.067 19.451 ( -1.248 -0.040 3.581) 3.792 20.032 ( -4.403 -11.546 5.178) 13.398 20.170 ( -3.372 0.953 9.414) 10.045 20.501 ( -1.144 8.646 2.331) 9.028 20.719 ( -5.933 -2.943 11.329) 13.123 21.238 ( -1.947 1.699 2.844) 3.843 21.395 ( 7.700 -3.862 2.259) 8.906 22.297 ( -0.038 -1.294 3.568) 3.796 22.498 ( -0.623 4.948 -0.202) 4.991 22.672 ( -5.188 -3.080 -8.990) 10.827 23.677 ( 2.122 2.248 -6.288) 7.006 23.919 ( -1.253 3.366 6.576) 7.493 24.259 ( -5.390 -0.297 11.145) 12.384 24.532 ( -1.099 -1.460 6.311) 6.570 24.926 ( -2.218 13.227 12.397) 18.263 25.277 ( 0.848 3.177 3.477) 4.785 25.355 ( 0.367 2.846 0.663) 2.945 26.837 ( -1.790 0.484 0.630) 1.959 27.245 ( 14.117 -9.280 2.169) 17.033 27.599 ( -14.536 -12.435 -12.039) 22.602 28.707 ( 9.913 -1.966 -14.591) 17.749 ======================= Grid point 112 (56/144) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 11.843 8.992 14.708) 20.915 2.375 ( -17.753 2.954 36.918) 41.071 3.073 ( -2.493 21.741 33.674) 40.160 3.469 ( -5.376 -9.819 1.324) 11.272 3.818 ( -8.186 1.767 19.886) 21.577 3.971 ( -3.471 0.877 -2.590) 4.418 4.191 ( -3.800 -8.485 -11.037) 14.431 4.432 ( -0.580 -17.381 4.600) 17.989 4.636 ( -3.463 -2.173 14.487) 15.053 4.897 ( 9.645 24.428 37.137) 45.485 5.096 ( -0.600 3.312 5.499) 6.447 5.397 ( 10.954 5.711 -1.883) 12.496 5.561 ( -5.423 4.156 -2.678) 7.338 5.646 ( 7.546 3.122 14.202) 16.382 5.900 ( 7.490 10.287 0.736) 12.746 6.268 ( 6.921 -8.817 -0.836) 11.240 6.376 ( -2.858 -3.638 2.370) 5.198 6.459 ( 3.147 -1.394 2.975) 4.550 6.841 ( -13.476 -10.576 11.015) 20.366 7.263 ( -13.114 -4.589 -2.760) 14.166 7.403 ( 1.193 5.753 1.325) 6.023 7.633 ( -8.053 7.401 12.252) 16.424 8.154 ( -6.326 -21.082 13.630) 25.889 8.291 ( -8.990 6.629 -7.811) 13.630 8.486 ( 4.375 -6.328 5.848) 9.663 8.747 ( -5.870 3.803 -7.640) 10.359 8.889 ( -6.910 -11.420 -1.778) 13.466 9.300 ( 5.799 3.809 -12.464) 14.265 9.503 ( -7.118 9.264 -12.590) 17.176 10.084 ( 11.145 1.472 8.412) 14.041 10.378 ( 13.651 7.384 15.017) 21.595 10.530 ( -5.156 -8.836 3.408) 10.783 10.886 ( 10.005 5.129 -12.477) 16.795 11.398 ( -1.162 -3.718 -5.821) 7.004 11.506 ( -4.456 3.698 5.310) 7.857 11.595 ( -2.702 -8.871 -8.022) 12.261 12.052 ( 3.003 6.119 -3.296) 7.571 12.179 ( 2.312 -5.160 -7.181) 9.140 12.403 ( -0.786 1.292 5.462) 5.668 12.933 ( -5.823 -10.153 13.086) 17.557 13.405 ( -9.441 -2.605 -15.263) 18.135 13.687 ( 13.361 2.096 11.114) 17.505 15.597 ( 9.131 5.607 -10.338) 14.889 15.937 ( 0.854 -2.766 -26.204) 26.363 16.291 ( 8.606 1.324 -19.858) 21.683 16.694 ( 6.800 12.443 -0.313) 14.183 17.128 ( -8.423 -1.118 -2.306) 8.804 18.200 ( 4.718 -3.469 -3.013) 6.585 18.568 ( 2.622 8.729 -7.247) 11.645 18.858 ( 4.009 -0.024 -3.126) 5.083 19.311 ( -10.508 -8.447 8.304) 15.834 19.494 ( 0.437 -3.453 3.212) 4.737 20.030 ( -5.128 10.271 2.472) 11.743 20.154 ( -3.216 -7.220 5.685) 9.736 20.578 ( 6.430 -7.552 14.532) 17.594 20.781 ( -3.550 -5.533 9.653) 11.679 21.195 ( -3.686 -0.184 2.114) 4.253 21.511 ( 4.070 -2.091 -3.264) 5.621 22.338 ( 2.870 -0.875 2.969) 4.221 22.397 ( -2.159 4.940 -1.693) 5.651 22.636 ( -3.049 -1.027 -3.400) 4.681 23.619 ( 1.240 4.793 -7.353) 8.864 23.881 ( -0.756 2.502 8.555) 8.945 24.238 ( -2.228 2.014 11.835) 12.211 24.588 ( -3.966 -4.449 2.955) 6.653 24.812 ( -2.839 1.042 17.775) 18.030 25.238 ( -0.102 3.479 2.960) 4.569 25.318 ( -3.124 -0.339 2.514) 4.024 26.816 ( -0.871 0.958 2.411) 2.737 27.523 ( -10.046 -6.255 -9.336) 15.073 27.579 ( 14.783 -5.287 -1.398) 15.762 28.723 ( 4.614 4.299 -22.223) 23.100 ======================= Grid point 113 (57/144) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 28.706 8.557 26.331) 39.882 2.191 ( -18.649 10.006 39.199) 44.547 2.945 ( 4.304 14.600 28.052) 31.916 3.603 ( -10.717 -6.828 11.943) 17.439 3.646 ( -6.229 9.203 34.248) 36.006 3.958 ( -3.813 -7.787 -5.582) 10.312 4.283 ( -2.741 -14.273 -6.646) 15.982 4.519 ( -6.108 -0.272 6.113) 8.645 4.699 ( 6.252 10.875 47.424) 49.055 4.898 ( 2.241 -9.674 -6.607) 11.928 5.200 ( 5.881 -4.401 5.913) 9.429 5.445 ( -6.419 0.824 -0.955) 6.542 5.523 ( 9.088 -8.407 0.011) 12.380 5.669 ( 8.153 7.699 1.529) 11.318 5.786 ( -11.815 1.062 8.645) 14.678 6.351 ( 1.307 8.220 -4.845) 9.631 6.453 ( 0.509 -0.015 0.044) 0.511 6.537 ( 4.185 -4.538 -2.683) 6.730 6.822 ( -16.075 -3.345 15.893) 22.851 7.153 ( -3.303 10.439 -1.909) 11.114 7.423 ( 7.264 -2.193 3.357) 8.298 7.494 ( 5.282 2.878 8.477) 10.395 8.120 ( -8.792 -4.737 -3.646) 10.631 8.410 ( -9.525 -9.590 -6.091) 14.826 8.470 ( -1.397 4.919 2.808) 5.834 8.717 ( 2.095 -2.557 5.135) 6.107 8.969 ( -4.850 -1.490 -7.421) 8.989 9.290 ( -0.281 -3.304 -6.065) 6.912 9.386 ( 6.957 -4.537 -5.483) 9.952 10.120 ( -4.529 2.072 6.354) 8.074 10.400 ( 3.414 5.628 10.659) 12.527 10.625 ( 2.321 -1.483 3.771) 4.669 10.855 ( 10.060 3.663 -16.580) 19.736 11.305 ( -10.438 5.531 12.422) 17.142 11.446 ( -1.619 0.674 -4.720) 5.035 11.752 ( 0.870 -8.060 -9.116) 12.199 11.949 ( -0.711 6.607 -12.162) 13.859 12.241 ( -2.557 -11.547 -1.370) 11.906 12.522 ( 6.244 -6.566 6.823) 11.342 13.127 ( -4.314 -10.534 9.843) 15.048 13.272 ( -7.336 -2.301 -8.861) 11.731 13.725 ( 5.487 11.066 4.240) 13.059 15.569 ( 10.693 9.018 -9.227) 16.757 15.853 ( 3.857 2.756 -26.121) 26.547 16.274 ( -4.285 -2.691 -6.871) 8.533 16.682 ( 13.107 -1.199 -13.263) 18.685 17.161 ( 17.920 3.245 5.105) 18.914 18.163 ( -3.076 6.882 -6.476) 9.937 18.600 ( 5.731 -8.579 -6.114) 11.992 18.901 ( 2.096 -2.794 -10.074) 10.663 19.321 ( -14.818 -7.070 11.319) 19.942 19.520 ( -2.990 1.549 3.654) 4.969 19.810 ( -1.606 11.871 1.629) 12.090 20.242 ( -2.587 -4.692 5.531) 7.701 20.811 ( 0.826 1.420 4.435) 4.730 20.890 ( 1.731 -14.373 16.678) 22.085 21.228 ( -5.463 -9.165 8.052) 13.367 21.529 ( -4.072 -2.770 -7.996) 9.391 22.296 ( -2.583 3.487 -0.439) 4.361 22.421 ( 9.037 -0.600 0.824) 9.095 22.618 ( 1.920 1.638 -0.164) 2.529 23.509 ( 2.182 6.560 -7.700) 10.349 23.891 ( -0.067 0.398 11.958) 11.965 24.233 ( -0.050 1.927 11.309) 11.472 24.618 ( -5.095 -6.478 5.512) 9.915 24.944 ( -0.235 -9.127 15.146) 17.685 25.184 ( 1.371 4.588 0.135) 4.791 25.358 ( -7.424 -11.792 9.923) 17.106 26.802 ( -0.617 1.049 3.556) 3.758 27.387 ( -13.319 -0.927 -10.612) 17.054 27.847 ( 19.082 -0.632 -1.993) 19.196 28.447 ( -5.262 20.388 -28.227) 35.215 ======================= Grid point 116 (58/144) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -18.709 0.000 35.881) 40.465 2.722 ( 12.512 -0.000 28.293) 30.936 3.179 ( -33.627 0.000 29.645) 44.828 3.597 ( -22.060 0.000 12.802) 25.506 3.633 ( 31.046 -0.000 8.575) 32.209 3.976 ( -14.304 0.000 18.870) 23.679 4.118 ( -16.780 0.000 15.146) 22.605 4.153 ( -0.396 0.000 -12.010) 12.016 4.964 ( 9.622 -0.000 -1.755) 9.781 5.039 ( -16.532 0.000 18.566) 24.860 5.187 ( 8.946 -0.000 -9.579) 13.107 5.285 ( -10.601 0.000 -17.421) 20.393 5.482 ( 5.765 -0.000 21.471) 22.232 5.699 ( -11.779 0.000 14.739) 18.868 5.860 ( 10.258 -0.000 -2.478) 10.553 6.105 ( 12.634 -0.000 13.731) 18.659 6.391 ( -1.326 0.000 -5.931) 6.077 6.442 ( 4.626 -0.000 -1.610) 4.898 6.673 ( 2.317 -0.000 13.390) 13.589 6.893 ( 7.389 -0.000 -6.436) 9.799 7.518 ( -13.955 0.000 -7.830) 16.001 7.570 ( -28.474 0.000 -3.047) 28.636 8.183 ( -5.658 0.000 19.047) 19.869 8.321 ( 2.883 -0.000 19.127) 19.343 8.666 ( 12.048 -0.000 -19.005) 22.502 9.071 ( -13.450 0.000 0.376) 13.455 9.175 ( -13.571 0.000 -10.581) 17.208 9.307 ( 23.913 -0.000 -11.402) 26.493 9.818 ( 32.912 -0.000 11.431) 34.841 9.845 ( -8.661 0.000 -35.694) 36.729 10.429 ( -15.378 0.000 3.080) 15.683 10.473 ( 0.429 -0.000 5.684) 5.700 10.620 ( 3.224 -0.000 14.948) 15.292 11.034 ( 6.993 -0.000 -7.527) 10.274 11.612 ( 0.090 -0.000 3.532) 3.533 11.635 ( 0.588 -0.000 -2.737) 2.800 11.909 ( 9.976 -0.000 11.964) 15.578 12.406 ( -16.181 0.000 17.961) 24.175 12.408 ( -0.177 0.000 -7.546) 7.548 13.126 ( -6.203 0.000 11.932) 13.448 13.137 ( -4.856 0.000 -14.686) 15.468 13.385 ( 0.392 -0.000 -0.865) 0.950 15.408 ( 9.991 -0.000 -28.007) 29.736 16.283 ( 0.142 -0.000 -9.493) 9.494 16.325 ( 16.129 -0.000 -4.191) 16.664 16.813 ( -14.965 0.000 -16.893) 22.568 17.649 ( 12.826 -0.000 -13.073) 18.314 17.878 ( -21.190 0.000 -9.706) 23.308 18.559 ( 21.905 -0.000 -1.804) 21.980 19.038 ( 4.039 -0.000 -16.487) 16.974 19.282 ( -1.642 0.000 5.544) 5.782 19.566 ( -1.883 0.000 5.269) 5.596 19.574 ( 3.019 -0.000 14.215) 14.532 20.218 ( -3.189 0.000 10.166) 10.655 20.816 ( -20.236 0.000 19.320) 27.978 20.970 ( -12.469 0.000 -10.555) 16.336 21.095 ( 10.333 -0.000 6.886) 12.417 21.295 ( -2.506 0.000 8.148) 8.525 22.229 ( -1.809 0.000 5.564) 5.851 22.636 ( 0.803 -0.000 -0.036) 0.804 22.642 ( -0.830 0.000 -11.369) 11.399 23.718 ( 7.106 -0.000 -9.557) 11.910 23.941 ( -6.822 0.000 11.717) 13.558 24.219 ( -5.411 0.000 6.179) 8.214 24.832 ( -1.617 0.000 9.101) 9.243 25.324 ( 10.812 -0.000 1.520) 10.918 25.358 ( 3.482 -0.000 2.647) 4.373 25.839 ( -9.172 0.000 -5.872) 10.891 26.679 ( -0.853 0.000 2.848) 2.972 26.777 ( -0.395 0.000 3.947) 3.967 26.999 ( -3.928 0.000 -2.714) 4.774 28.538 ( 9.860 -0.000 -9.049) 13.383 ======================= Grid point 117 (59/144) ======================= q-point: ( 0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -13.410 6.826 22.504) 27.071 2.773 ( -31.863 9.530 28.446) 43.764 3.084 ( 5.025 -15.956 20.332) 26.329 3.434 ( -28.497 -7.010 9.121) 30.731 3.895 ( -4.682 -1.818 18.379) 19.053 3.940 ( 7.178 2.217 16.001) 17.676 3.992 ( -8.969 4.857 15.250) 18.346 4.207 ( 4.338 -7.045 1.727) 8.452 4.698 ( -4.874 20.100 2.062) 20.785 5.061 ( 0.321 1.392 0.842) 1.658 5.079 ( 0.191 2.732 -0.856) 2.869 5.334 ( 0.532 -6.496 -8.630) 10.815 5.576 ( -7.572 -10.469 4.492) 13.679 5.834 ( 11.820 -2.219 16.589) 20.490 5.986 ( 10.653 -0.088 3.716) 11.282 6.180 ( -1.200 9.037 -4.817) 10.311 6.297 ( 12.944 -1.342 3.404) 13.451 6.692 ( -1.393 3.137 -4.718) 5.835 6.744 ( -2.903 -20.023 2.288) 20.361 6.973 ( 5.289 -4.091 1.459) 6.844 7.283 ( -5.124 11.448 -4.422) 13.299 7.343 ( -20.078 -6.566 19.635) 28.841 8.180 ( -3.633 5.229 14.569) 15.900 8.341 ( -2.298 -0.249 11.088) 11.326 8.561 ( -2.548 11.548 -9.813) 15.367 8.893 ( -12.834 4.492 -10.033) 16.898 9.135 ( -8.588 -12.129 3.311) 15.226 9.450 ( -0.174 5.909 -14.611) 15.761 9.638 ( 14.580 3.227 -27.300) 31.117 10.122 ( 3.913 -1.175 11.154) 11.879 10.318 ( 20.575 5.094 1.924) 21.284 10.466 ( -4.856 1.841 -3.003) 5.999 10.711 ( -1.069 -3.379 5.289) 6.366 11.171 ( 13.009 -1.206 5.302) 14.099 11.556 ( -3.906 0.825 -5.691) 6.952 11.700 ( -3.134 -4.849 4.014) 7.032 12.056 ( 8.155 1.210 12.004) 14.562 12.292 ( -8.575 0.887 12.783) 15.418 12.405 ( 0.028 -0.880 -2.242) 2.409 12.963 ( -10.949 4.929 3.345) 12.465 13.141 ( -5.248 -7.918 -14.145) 17.039 13.441 ( 5.836 -1.635 7.230) 9.434 15.483 ( 10.458 -6.520 -28.315) 30.881 16.028 ( -1.348 15.114 -11.283) 18.909 16.577 ( 0.927 3.304 -20.210) 20.499 16.667 ( -2.713 -17.572 -4.861) 18.433 17.447 ( -4.337 15.242 -10.113) 18.799 17.929 ( 3.879 -10.333 -8.114) 13.698 18.792 ( 12.739 -5.533 -4.579) 14.624 18.984 ( 3.920 5.301 -11.092) 12.903 19.243 ( -2.221 4.620 5.608) 7.597 19.543 ( -0.770 4.017 8.597) 9.520 19.686 ( 0.363 -5.815 7.590) 9.569 20.207 ( -1.921 1.975 11.697) 12.018 20.663 ( -15.979 1.170 18.132) 24.197 20.775 ( -9.446 3.553 -9.472) 13.841 21.242 ( 0.755 -2.407 6.713) 7.171 21.307 ( 6.174 -0.019 6.892) 9.253 22.237 ( -2.755 -1.569 6.427) 7.166 22.600 ( -0.415 -0.223 -8.098) 8.112 22.631 ( 0.348 1.410 -1.342) 1.977 23.735 ( 3.287 1.483 -7.667) 8.472 23.916 ( -6.600 -2.162 8.647) 11.091 24.195 ( -4.344 -1.354 6.104) 7.613 24.761 ( -0.804 9.559 9.032) 13.176 25.361 ( -0.354 5.773 1.154) 5.898 25.377 ( 1.433 3.249 1.206) 3.751 25.613 ( 6.630 15.164 1.714) 16.639 26.766 ( -2.630 -6.834 0.104) 7.323 26.915 ( 3.516 -10.308 1.944) 11.063 27.044 ( -4.779 -13.576 -2.468) 14.603 28.611 ( 6.516 -2.229 -11.139) 13.095 ======================= Grid point 118 (60/144) ======================= q-point: (-0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -1.388 6.462 15.455) 16.809 2.451 ( -22.346 3.811 31.369) 38.702 3.216 ( -30.847 -8.234 7.529) 32.802 3.448 ( 3.482 -8.722 11.548) 14.885 3.776 ( -11.735 2.446 11.861) 16.864 3.973 ( -15.354 -6.178 26.602) 31.331 4.046 ( 6.095 1.018 1.105) 6.277 4.173 ( -0.711 13.078 7.784) 15.236 4.596 ( 6.538 -1.271 2.974) 7.294 5.006 ( -1.940 0.279 -0.101) 1.963 5.189 ( 5.653 -8.966 11.753) 15.827 5.371 ( 0.165 -0.721 -6.735) 6.775 5.664 ( -1.398 -4.616 2.216) 5.308 5.976 ( -14.991 2.319 -1.557) 15.249 6.062 ( 12.741 -0.934 6.848) 14.494 6.135 ( 14.221 3.865 6.505) 16.108 6.424 ( 3.496 -0.831 4.160) 5.498 6.549 ( -5.144 -1.749 -12.243) 13.394 6.868 ( -0.067 17.797 12.865) 21.961 6.975 ( -6.672 -1.961 -6.667) 9.634 7.221 ( 3.697 -14.976 -2.101) 15.568 7.565 ( 3.985 -10.508 42.106) 43.580 8.017 ( -7.214 9.418 14.434) 18.684 8.268 ( -10.740 7.706 -9.203) 16.107 8.463 ( 3.739 -7.042 3.772) 8.821 8.660 ( -7.775 4.414 -8.105) 12.067 9.058 ( -24.096 4.960 1.141) 24.628 9.279 ( 5.291 1.561 -10.927) 12.241 9.775 ( 18.162 1.542 -20.355) 27.323 10.172 ( -6.507 -8.255 -1.523) 10.621 10.320 ( 2.520 9.131 1.822) 9.646 10.564 ( 16.769 2.543 5.846) 17.940 10.773 ( 3.801 -4.754 -1.461) 6.260 11.325 ( 8.286 0.835 5.474) 9.966 11.488 ( -2.655 -0.975 -8.846) 9.287 11.690 ( -4.255 3.009 5.007) 7.227 12.077 ( -3.936 1.280 7.743) 8.780 12.309 ( 9.555 3.407 2.215) 10.383 12.410 ( -3.527 -1.333 1.863) 4.206 12.774 ( -12.708 1.933 8.542) 15.434 13.192 ( -3.438 -9.546 -19.302) 21.806 13.611 ( 8.749 -4.928 12.925) 16.367 15.629 ( 7.218 -8.420 -21.132) 23.866 15.794 ( 2.093 6.079 -17.289) 18.446 16.408 ( -4.850 1.791 -20.863) 21.494 16.891 ( -7.137 -10.311 -13.604) 18.502 17.169 ( 7.852 13.997 -0.325) 16.053 18.089 ( 8.091 -4.069 -6.471) 11.131 18.905 ( 1.465 4.846 -2.664) 5.721 18.932 ( 1.483 -2.430 -13.587) 13.882 19.156 ( 1.310 6.563 14.098) 15.606 19.486 ( -0.809 4.062 7.034) 8.163 19.817 ( -2.973 -10.129 2.919) 10.952 20.203 ( -1.214 2.055 11.446) 11.693 20.537 ( -9.941 1.889 11.932) 15.645 20.646 ( -5.355 -0.620 -1.245) 5.533 21.221 ( -4.551 0.807 3.594) 5.855 21.460 ( 8.098 -1.816 5.622) 10.023 22.259 ( -3.241 -2.573 6.185) 7.442 22.580 ( -1.662 0.665 -3.913) 4.304 22.605 ( 5.270 2.535 -3.313) 6.721 23.700 ( -0.179 1.799 -4.688) 5.024 23.916 ( -3.920 -1.936 3.726) 5.745 24.211 ( -2.906 -2.545 8.087) 8.963 24.632 ( 0.730 8.618 8.247) 11.951 25.147 ( -5.652 13.236 3.810) 14.888 25.347 ( -0.487 3.221 3.101) 4.498 25.490 ( 4.672 11.540 2.479) 12.694 26.819 ( -0.360 -1.852 -0.163) 1.894 27.166 ( -1.958 -13.821 -2.443) 14.171 27.252 ( 6.280 -15.538 -0.335) 16.763 28.673 ( 2.939 -3.861 -14.374) 15.171 ======================= Grid point 119 (61/144) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 16.755 1.287 20.058) 26.167 2.340 ( -14.817 1.374 37.063) 39.938 3.114 ( -18.715 -14.066 3.752) 23.711 3.372 ( -12.150 10.954 24.433) 29.404 3.821 ( -5.038 -4.254 3.904) 7.663 3.925 ( -4.316 -3.022 -8.215) 9.760 4.052 ( -4.191 -0.329 1.835) 4.587 4.168 ( 1.605 -7.010 11.298) 13.393 4.624 ( -6.314 0.599 13.331) 14.763 5.036 ( 4.399 -3.739 -0.324) 5.782 5.310 ( -0.554 3.733 1.790) 4.177 5.530 ( 5.579 -9.393 7.007) 12.979 5.643 ( -10.515 4.759 -2.026) 11.718 5.723 ( -6.558 7.045 10.621) 14.334 6.155 ( -1.642 2.853 7.607) 8.289 6.231 ( 8.881 0.445 1.238) 8.978 6.394 ( -3.265 7.570 5.597) 9.964 6.588 ( 6.288 7.573 20.034) 22.321 6.675 ( 7.219 -3.564 9.182) 12.212 7.011 ( -4.344 -6.447 -8.737) 11.695 7.441 ( 3.157 -7.690 -12.622) 15.114 7.752 ( -3.904 8.657 18.085) 20.426 7.865 ( -6.705 -3.335 31.185) 32.071 8.195 ( -4.336 -3.541 -5.644) 7.950 8.531 ( 5.159 -2.358 -2.825) 6.337 8.652 ( -0.332 -7.274 2.041) 7.562 8.742 ( -13.396 4.866 0.554) 14.263 9.285 ( 1.815 0.352 -3.613) 4.059 9.706 ( 9.280 14.587 -25.145) 30.515 10.217 ( 1.786 1.537 -4.359) 4.955 10.326 ( -2.979 -9.585 6.621) 12.024 10.619 ( -0.353 -0.046 -3.310) 3.329 10.915 ( 9.575 1.046 -2.832) 10.040 11.321 ( -5.315 0.427 0.573) 5.362 11.489 ( 3.539 -0.370 -5.396) 6.464 11.614 ( 1.035 4.251 9.686) 10.628 12.043 ( -2.463 0.071 -3.512) 4.290 12.264 ( -0.689 7.362 -3.183) 8.050 12.443 ( 5.727 -0.545 7.772) 9.669 12.759 ( -5.260 -7.777 11.739) 15.032 13.189 ( -6.560 -4.817 -20.000) 21.592 13.831 ( 7.721 -3.674 10.885) 13.842 15.720 ( 6.783 -0.595 -1.690) 7.016 15.787 ( 5.760 -5.583 -31.860) 32.854 16.319 ( 2.565 -1.650 -20.463) 20.689 16.665 ( -18.409 4.634 -12.756) 22.871 17.236 ( 17.777 3.951 1.386) 18.264 18.204 ( 7.414 -2.193 -4.448) 8.920 18.792 ( -3.585 7.557 -7.620) 11.315 18.858 ( 3.583 4.867 -4.473) 7.518 19.166 ( -4.474 -0.410 12.505) 13.288 19.474 ( 0.134 -0.423 4.834) 4.855 19.972 ( -2.721 -11.567 3.657) 12.432 20.146 ( -2.215 6.323 6.976) 9.672 20.544 ( -3.154 -5.594 17.105) 18.271 20.645 ( -4.097 -6.221 -1.017) 7.518 21.160 ( -4.500 1.635 1.556) 5.034 21.533 ( 1.285 1.290 2.022) 2.722 22.286 ( -3.172 -2.727 4.150) 5.893 22.521 ( 0.727 3.822 -0.074) 3.892 22.653 ( 10.065 1.161 -4.826) 11.223 23.655 ( 0.100 1.692 -5.300) 5.564 23.902 ( -3.435 0.136 3.736) 5.077 24.261 ( -1.247 -2.174 10.669) 10.959 24.569 ( 0.126 3.671 6.891) 7.809 24.901 ( -7.266 9.210 11.124) 16.167 25.286 ( -2.584 3.247 3.598) 5.492 25.371 ( 0.972 7.014 0.663) 7.112 26.834 ( 0.865 0.369 1.388) 1.677 27.233 ( -11.229 -8.461 -6.089) 15.322 27.659 ( 20.585 -11.884 0.301) 23.771 28.673 ( -2.442 -1.536 -19.153) 19.370 ======================= Grid point 120 (62/144) ======================= q-point: (-0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -1.111 -1.038 28.711) 28.751 2.323 ( 11.148 8.524 35.738) 38.395 3.224 ( -6.896 0.509 20.078) 21.235 3.285 ( -8.184 -15.937 14.929) 23.320 3.769 ( -6.043 -1.888 2.725) 6.893 3.855 ( -3.506 6.533 -3.373) 8.145 4.045 ( -4.076 -7.242 -1.388) 8.425 4.366 ( -1.234 -10.243 -5.526) 11.703 4.646 ( -4.334 -7.274 13.665) 16.076 5.101 ( -4.290 3.080 7.541) 9.207 5.315 ( -0.206 -6.531 -1.360) 6.674 5.356 ( -3.123 16.369 17.080) 23.863 5.541 ( -3.247 1.655 -0.981) 3.775 5.657 ( -10.246 2.603 15.383) 18.665 5.982 ( 3.974 16.311 5.721) 17.737 6.307 ( -4.248 -6.776 -4.716) 9.285 6.428 ( -3.854 -0.647 3.470) 5.226 6.631 ( 4.106 1.840 21.235) 21.707 6.809 ( 0.584 2.417 11.902) 12.159 7.029 ( -8.904 -10.174 1.841) 13.644 7.511 ( 10.691 2.578 -10.910) 15.491 7.637 ( 1.125 6.644 12.548) 14.243 8.053 ( -8.069 -14.398 11.981) 20.395 8.122 ( 6.783 0.963 6.246) 9.271 8.547 ( -9.370 4.458 0.400) 10.384 8.756 ( 0.631 -7.737 -7.077) 10.504 8.799 ( 14.490 -4.959 5.089) 16.139 9.272 ( -1.345 0.414 1.632) 2.155 9.509 ( 12.269 10.285 -25.077) 29.751 10.088 ( -11.953 3.503 -8.198) 14.911 10.521 ( -0.560 2.724 3.905) 4.794 10.537 ( -4.081 -5.865 5.383) 8.946 10.887 ( 2.590 0.091 -23.511) 23.653 11.270 ( -6.748 1.728 8.108) 10.690 11.543 ( 3.322 -0.802 2.179) 4.053 11.660 ( 5.807 -0.970 8.622) 10.440 11.955 ( -3.922 3.556 -11.598) 12.749 12.160 ( -0.531 1.518 -0.312) 1.638 12.572 ( 8.260 -0.751 9.362) 12.507 12.937 ( -0.648 -12.910 7.519) 14.954 13.086 ( -9.307 -2.256 -14.163) 17.097 13.902 ( 0.978 5.035 1.559) 5.361 15.763 ( 6.948 1.085 -17.480) 18.841 15.847 ( 9.064 1.718 -12.785) 15.766 16.218 ( -4.106 5.292 -9.160) 11.348 16.571 ( -0.472 -14.049 -14.151) 19.946 17.379 ( 17.349 1.888 -3.209) 17.744 18.271 ( 3.964 2.046 -2.817) 5.276 18.661 ( 6.591 5.362 -5.156) 9.939 18.789 ( -4.932 0.901 -8.589) 9.945 19.141 ( -9.252 -2.466 12.221) 15.526 19.497 ( -2.198 -1.043 4.400) 5.028 19.992 ( -0.826 9.719 4.865) 10.900 20.155 ( -0.775 -6.092 6.490) 8.935 20.715 ( -5.329 -13.821 16.326) 22.045 20.751 ( -0.735 -9.288 2.200) 9.573 21.087 ( -4.625 0.858 0.014) 4.704 21.474 ( -4.530 3.222 0.332) 5.569 22.288 ( -2.299 -0.121 1.003) 2.511 22.503 ( 1.753 0.531 3.182) 3.672 22.737 ( 13.336 2.736 -8.265) 15.926 23.596 ( 2.100 4.168 -8.184) 9.422 23.893 ( -3.345 -2.044 9.773) 10.530 24.306 ( -0.078 1.039 12.164) 12.209 24.534 ( -3.890 0.464 6.893) 7.928 24.846 ( -4.045 -5.084 14.925) 16.278 25.234 ( -2.497 0.875 5.194) 5.829 25.298 ( 1.036 3.400 -0.669) 3.617 26.838 ( 1.436 1.568 2.658) 3.404 27.181 ( -10.867 -3.537 -6.075) 12.943 28.026 ( 21.132 -4.283 -2.465) 21.702 28.489 ( -9.761 8.117 -23.439) 26.656 ======================= Grid point 124 (63/144) ======================= q-point: ( 0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -7.711 0.000 16.887) 18.564 2.603 ( -32.260 0.000 36.878) 48.997 2.910 ( -24.094 0.000 9.636) 25.949 3.234 ( -0.379 0.000 15.775) 15.779 3.776 ( -22.696 0.000 33.052) 40.094 4.003 ( -4.753 0.000 9.654) 10.761 4.078 ( 0.236 -0.000 -13.278) 13.280 4.243 ( 10.862 -0.000 24.813) 27.086 4.860 ( -10.774 0.000 18.282) 21.221 4.927 ( -9.316 0.000 -11.645) 14.913 5.233 ( 12.383 -0.000 -3.788) 12.950 5.249 ( -16.100 0.000 3.950) 16.578 5.351 ( 12.341 -0.000 -10.837) 16.424 5.952 ( -9.098 0.000 11.606) 14.747 6.087 ( 4.007 -0.000 3.499) 5.319 6.279 ( 8.413 -0.000 -4.668) 9.621 6.466 ( 11.104 -0.000 -3.982) 11.796 6.491 ( 0.160 -0.000 -7.042) 7.044 6.651 ( -4.050 0.000 -12.751) 13.379 7.057 ( 14.593 -0.000 -6.383) 15.928 7.223 ( -2.596 0.000 48.669) 48.738 7.374 ( 3.738 -0.000 -1.922) 4.203 8.250 ( 1.677 -0.000 7.601) 7.784 8.298 ( -10.514 0.000 5.910) 12.062 8.635 ( -9.237 0.000 -14.016) 16.786 8.767 ( -13.760 0.000 14.285) 19.834 8.964 ( 1.445 -0.000 0.363) 1.490 9.377 ( -5.659 0.000 -24.448) 25.095 9.785 ( 18.211 -0.000 -20.426) 27.365 10.048 ( -13.479 0.000 7.728) 15.537 10.342 ( -5.780 0.000 -14.946) 16.025 10.681 ( 25.951 -0.000 1.180) 25.978 10.759 ( 4.917 -0.000 16.132) 16.865 11.411 ( 18.144 -0.000 13.462) 22.593 11.475 ( -9.583 0.000 -4.963) 10.792 11.621 ( -3.407 0.000 9.530) 10.121 12.198 ( 5.820 -0.000 12.344) 13.647 12.206 ( -12.300 0.000 17.081) 21.048 12.420 ( 3.827 -0.000 -2.437) 4.537 12.914 ( -13.724 0.000 1.072) 13.765 12.951 ( 0.258 -0.000 -19.291) 19.293 13.510 ( 5.023 -0.000 9.977) 11.170 15.460 ( 12.992 -0.000 -32.402) 34.910 16.132 ( -6.837 0.000 -16.645) 17.994 16.247 ( -19.437 0.000 -12.496) 23.107 16.639 ( 11.329 -0.000 -14.748) 18.597 17.543 ( -2.185 0.000 -4.915) 5.379 17.889 ( 13.578 -0.000 -6.641) 15.115 18.833 ( 4.633 -0.000 -8.084) 9.318 19.030 ( 5.701 -0.000 -16.230) 17.202 19.254 ( -3.323 0.000 4.443) 5.548 19.581 ( 0.022 -0.000 3.457) 3.457 19.712 ( -0.499 0.000 16.894) 16.901 20.258 ( -0.397 0.000 13.689) 13.694 20.561 ( -14.326 0.000 16.603) 21.929 20.663 ( -8.800 0.000 -6.972) 11.227 21.227 ( -3.938 0.000 5.585) 6.834 21.425 ( 10.183 -0.000 7.664) 12.744 22.207 ( -4.171 0.000 7.195) 8.316 22.582 ( 2.417 -0.000 -6.094) 6.556 22.650 ( 1.011 -0.000 -0.837) 1.313 23.755 ( 2.614 -0.000 -9.176) 9.541 23.836 ( -8.307 0.000 8.700) 12.029 24.170 ( -1.865 0.000 5.431) 5.742 24.862 ( -1.784 0.000 9.748) 9.910 25.358 ( -7.938 0.000 -6.477) 10.245 25.408 ( -0.112 0.000 0.533) 0.545 25.893 ( 15.764 -0.000 3.216) 16.089 26.669 ( -1.236 0.000 2.199) 2.522 26.820 ( 0.780 -0.000 5.399) 5.455 26.952 ( 0.385 -0.000 -1.004) 1.076 28.599 ( 2.110 -0.000 -12.373) 12.551 ======================= Grid point 125 (64/144) ======================= q-point: (-0.43 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 2.113 2.522 19.023) 19.305 2.381 ( -18.347 3.752 32.457) 37.472 2.732 ( -30.268 -11.984 11.198) 34.426 3.387 ( 3.127 -6.818 10.678) 13.049 3.603 ( -27.432 -2.390 21.422) 34.887 3.879 ( -9.500 5.139 3.375) 11.316 4.087 ( -1.353 -1.734 -4.221) 4.760 4.367 ( -0.757 4.639 28.997) 29.376 4.714 ( -1.758 8.509 -0.721) 8.718 4.863 ( -7.655 -11.434 11.857) 18.164 5.138 ( -8.855 0.488 1.731) 9.036 5.340 ( 5.578 -1.907 -13.332) 14.577 5.549 ( 4.956 -8.094 0.282) 9.495 5.765 ( -21.009 -2.824 9.246) 23.127 6.090 ( -1.523 -0.441 -3.793) 4.111 6.351 ( -0.713 5.896 -1.797) 6.205 6.477 ( 5.587 -0.896 -20.379) 21.150 6.540 ( 12.397 -0.354 7.300) 14.391 6.727 ( 8.036 -7.338 2.169) 11.096 7.200 ( 11.781 1.099 5.195) 12.922 7.348 ( 6.975 12.018 1.938) 14.030 7.558 ( 7.338 -13.244 37.878) 40.792 8.095 ( -5.024 7.846 2.185) 9.569 8.341 ( -7.882 3.802 -12.780) 15.489 8.420 ( 1.859 0.778 14.286) 14.427 8.647 ( -5.163 4.304 3.488) 7.573 8.914 ( -12.459 7.240 5.669) 15.485 9.305 ( 5.318 -2.659 -18.052) 19.006 9.881 ( 8.947 -0.707 -20.908) 22.753 9.976 ( -8.034 -6.631 2.550) 10.725 10.281 ( -4.126 -3.482 -9.250) 10.710 10.675 ( -2.953 8.901 3.348) 9.958 11.036 ( 26.508 2.576 7.886) 27.775 11.336 ( -9.429 -0.738 -7.669) 12.177 11.568 ( 7.411 3.283 13.567) 15.804 11.668 ( -2.802 -1.282 9.880) 10.350 12.097 ( -5.764 3.886 13.227) 14.942 12.340 ( 0.331 -4.076 11.144) 11.870 12.463 ( 7.962 1.584 -2.681) 8.549 12.718 ( -11.070 3.665 2.360) 11.897 12.974 ( 0.705 -6.921 -19.290) 20.506 13.638 ( 4.194 -4.903 12.720) 14.263 15.538 ( 12.741 -4.898 -31.901) 34.698 15.831 ( -7.735 7.372 -11.864) 15.966 16.141 ( -15.606 -8.532 -20.893) 27.438 16.724 ( 3.629 -2.949 -16.688) 17.331 17.466 ( 11.153 9.822 -1.296) 14.918 18.092 ( 11.776 -6.643 -5.170) 14.476 18.811 ( -6.405 -2.155 -12.195) 13.943 18.988 ( 2.985 5.505 -10.184) 11.956 19.263 ( 1.667 -1.442 3.672) 4.283 19.578 ( -0.055 2.105 4.262) 4.754 19.731 ( -2.514 1.585 13.989) 14.301 20.283 ( 0.055 2.794 13.818) 14.097 20.469 ( -11.631 -0.459 15.558) 19.431 20.569 ( -4.997 -0.289 -2.592) 5.637 21.190 ( -5.138 0.164 3.682) 6.323 21.559 ( 8.145 0.266 6.704) 10.552 22.198 ( -4.383 -1.983 6.631) 8.193 22.590 ( 2.906 1.859 -3.196) 4.702 22.675 ( 5.041 -0.874 -1.962) 5.479 23.708 ( -1.504 2.502 -3.996) 4.948 23.826 ( -4.127 -4.006 1.319) 5.901 24.188 ( -0.434 -1.198 6.743) 6.863 24.804 ( -0.892 7.634 8.991) 11.828 25.198 ( -9.259 4.370 -5.655) 11.696 25.379 ( -2.411 1.929 0.693) 3.164 25.863 ( 9.398 22.340 6.569) 25.110 26.746 ( 0.452 -6.623 1.139) 6.735 26.980 ( -0.337 -4.048 -0.115) 4.064 27.073 ( 9.257 -21.047 3.574) 23.269 28.576 ( -1.824 -2.431 -14.146) 14.469 ======================= Grid point 126 (65/144) ======================= q-point: (-0.29 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -2.770 -2.311 29.609) 29.828 2.402 ( 7.115 -4.926 23.819) 25.342 2.699 ( -17.118 -11.191 13.720) 24.627 3.278 ( -27.742 -1.151 3.798) 28.024 3.647 ( -8.996 -12.450 0.816) 15.381 3.726 ( -4.633 0.020 3.277) 5.675 4.053 ( -1.330 1.513 2.442) 3.165 4.342 ( 1.122 9.092 24.969) 26.597 4.597 ( -8.002 1.566 10.289) 13.129 5.053 ( -7.879 -2.143 4.960) 9.554 5.157 ( -1.851 -21.790 3.948) 22.222 5.341 ( 0.258 -1.892 -8.499) 8.711 5.505 ( -14.142 0.434 7.965) 16.237 5.766 ( -2.551 0.691 1.120) 2.871 6.080 ( -7.443 -1.364 -5.602) 9.415 6.200 ( -10.515 -2.992 3.154) 11.378 6.519 ( 9.884 2.000 -11.940) 15.629 6.692 ( 5.838 0.187 14.214) 15.367 6.955 ( 8.626 0.004 11.647) 14.493 7.155 ( 5.932 19.427 7.194) 21.549 7.324 ( 8.347 -6.369 -1.998) 10.688 7.869 ( -0.139 -3.248 25.166) 25.375 7.968 ( -2.250 5.658 5.185) 7.998 8.171 ( 1.079 8.051 9.356) 12.390 8.543 ( 1.657 -2.238 -5.759) 6.397 8.600 ( 7.336 -0.762 -0.773) 7.415 8.698 ( -4.054 2.957 14.466) 15.312 9.332 ( 5.039 0.924 -14.736) 15.601 9.838 ( -0.892 0.727 -19.836) 19.869 10.126 ( 2.983 -10.632 -1.198) 11.107 10.241 ( -7.279 2.210 -0.815) 7.650 10.457 ( -7.079 3.080 -14.227) 16.187 11.172 ( -0.285 8.581 3.633) 9.322 11.280 ( 6.642 0.286 2.691) 7.172 11.587 ( 2.594 5.671 1.860) 6.507 11.662 ( -2.962 -1.628 14.806) 15.187 12.040 ( -1.376 2.624 1.977) 3.561 12.307 ( -5.619 5.882 2.472) 8.502 12.561 ( 11.820 -1.595 0.224) 11.930 12.671 ( -2.143 -2.824 10.528) 11.109 13.000 ( -1.527 -4.004 -19.150) 19.624 13.826 ( 1.663 -7.473 11.867) 14.122 15.653 ( 8.735 -5.915 -26.909) 28.903 15.737 ( 1.566 -3.636 -7.677) 8.638 16.071 ( -9.033 -11.579 -21.024) 25.646 16.614 ( -4.105 8.345 -18.708) 20.892 17.516 ( 17.631 5.300 0.463) 18.416 18.270 ( 11.168 -1.395 -5.236) 12.413 18.655 ( -15.354 0.313 -11.809) 19.373 18.922 ( 1.131 0.840 -9.881) 9.981 19.310 ( 4.323 4.873 9.145) 11.228 19.554 ( 1.420 6.150 13.680) 15.066 19.762 ( -2.695 -9.686 0.416) 10.063 20.250 ( -1.678 4.968 11.102) 12.278 20.438 ( -10.212 -3.027 14.086) 17.659 20.560 ( 0.475 -2.499 3.660) 4.457 21.139 ( -4.587 0.521 2.023) 5.040 21.606 ( 2.392 3.966 4.269) 6.299 22.217 ( -3.107 -3.116 4.526) 6.313 22.563 ( 0.114 2.595 0.747) 2.702 22.775 ( 11.311 -0.913 -5.915) 12.797 23.652 ( -0.723 0.804 -4.303) 4.437 23.843 ( -3.635 -2.723 -0.132) 4.544 24.242 ( -0.336 -2.585 8.892) 9.267 24.706 ( 0.422 7.684 9.243) 12.027 24.974 ( -10.401 8.426 1.538) 13.474 25.308 ( -3.781 2.623 1.076) 4.726 25.581 ( 0.180 18.056 6.335) 19.136 26.835 ( 0.807 -3.211 0.776) 3.401 27.029 ( -2.292 -3.740 -0.583) 4.425 27.626 ( 20.770 -21.839 0.197) 30.139 28.526 ( -6.243 -2.561 -16.560) 17.882 ======================= Grid point 127 (66/144) ======================= q-point: (-0.14 -0.57 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -17.448 -1.018 33.603) 37.876 2.769 ( 0.387 -2.753 12.705) 13.006 2.822 ( 15.927 -15.491 15.992) 27.375 3.113 ( -19.140 -13.270 11.566) 26.004 3.623 ( -7.939 -5.896 0.606) 9.908 3.804 ( -1.081 -4.321 -7.194) 8.462 4.057 ( 3.120 4.953 12.753) 14.032 4.293 ( 3.424 2.031 1.459) 4.240 4.573 ( -8.644 -1.696 21.886) 23.592 5.084 ( -11.643 -11.423 3.046) 16.592 5.198 ( 2.406 6.963 -0.365) 7.376 5.382 ( -14.479 0.830 16.630) 22.066 5.535 ( -2.481 -4.535 -0.497) 5.193 5.693 ( -2.240 -2.363 -1.831) 3.736 5.888 ( -21.406 -9.628 1.793) 23.540 6.284 ( -3.538 -6.763 2.792) 8.127 6.405 ( 5.395 14.680 -3.889) 16.116 6.709 ( -6.471 7.557 4.704) 11.005 6.941 ( -3.464 3.308 5.298) 7.142 7.078 ( 12.461 7.109 28.384) 31.804 7.621 ( 10.666 -7.983 7.399) 15.240 7.781 ( -4.821 12.852 -2.349) 13.926 7.925 ( -2.277 5.919 18.554) 19.608 8.176 ( 2.841 -14.230 13.209) 19.623 8.534 ( 5.718 8.297 -1.830) 10.242 8.694 ( 5.691 -2.710 -9.827) 11.674 8.926 ( 17.586 -7.700 12.897) 23.128 9.296 ( 0.015 1.752 -6.262) 6.503 9.710 ( 6.299 10.464 -22.744) 25.816 9.924 ( -19.498 4.755 -10.282) 22.549 10.338 ( -6.967 -8.970 -6.439) 13.055 10.471 ( 5.088 -10.458 -6.302) 13.228 10.929 ( -6.759 12.192 -3.350) 14.337 11.287 ( -1.517 4.467 3.203) 5.702 11.594 ( 7.296 1.426 3.018) 8.023 11.729 ( -1.589 -2.940 14.971) 15.339 11.959 ( -2.294 4.662 -5.290) 7.415 12.184 ( -1.653 3.346 -0.002) 3.732 12.707 ( -1.797 0.578 6.027) 6.316 12.775 ( 12.250 -7.938 -4.874) 15.389 12.962 ( -2.076 -0.556 -2.306) 3.152 13.920 ( -3.899 -1.095 1.700) 4.392 15.685 ( 2.480 -3.577 -25.857) 26.221 15.921 ( 10.792 -8.817 1.170) 13.984 16.223 ( 1.892 -19.279 -16.454) 25.416 16.303 ( -4.586 14.246 -16.498) 22.275 17.614 ( 14.520 5.942 -2.837) 15.943 18.326 ( 2.116 4.477 -8.537) 9.869 18.492 ( -9.006 -7.689 -9.686) 15.298 18.890 ( -0.215 -0.036 -7.549) 7.552 19.235 ( 2.482 13.558 13.687) 19.424 19.502 ( -2.106 3.294 8.785) 9.616 20.002 ( 4.074 -13.146 4.184) 14.384 20.182 ( -0.353 6.248 8.750) 10.758 20.429 ( -11.453 -9.136 5.505) 15.651 20.669 ( 1.091 -4.797 12.545) 13.475 21.091 ( -1.636 1.220 0.730) 2.168 21.521 ( -2.724 6.875 2.170) 7.707 22.252 ( -1.118 -2.492 1.660) 3.196 22.528 ( -1.365 1.528 3.718) 4.246 22.875 ( 10.345 1.297 -11.763) 15.719 23.629 ( 1.889 0.778 -8.223) 8.473 23.838 ( -4.458 -2.322 5.943) 7.784 24.310 ( -2.374 -2.941 10.086) 10.771 24.607 ( -2.275 7.888 11.338) 13.998 24.798 ( -6.744 1.092 9.403) 11.622 25.238 ( -2.835 1.447 2.523) 4.062 25.390 ( -0.702 7.381 2.611) 7.860 26.880 ( 0.748 -0.988 1.035) 1.615 27.041 ( -1.711 -0.898 -0.508) 1.998 28.142 ( 23.125 -11.342 -4.322) 26.117 28.377 ( -11.430 2.466 -18.805) 22.144 ======================= Grid point 132 (67/144) ======================= q-point: (-0.43 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -6.649 0.000 28.767) 29.525 2.257 ( -33.588 0.000 10.943) 35.325 2.499 ( 9.393 -0.000 30.722) 32.126 3.265 ( -38.683 0.000 8.744) 39.659 3.394 ( -0.163 0.000 10.774) 10.775 3.840 ( -20.032 0.000 13.065) 23.916 3.998 ( 2.861 -0.000 -7.745) 8.257 4.480 ( -4.182 0.000 21.420) 21.824 4.577 ( -19.102 0.000 11.277) 22.183 4.785 ( 0.531 -0.000 -3.983) 4.018 5.124 ( -3.039 0.000 21.184) 21.401 5.345 ( 5.296 -0.000 -17.327) 18.118 5.542 ( -17.554 0.000 17.014) 24.447 5.581 ( 8.344 -0.000 -2.871) 8.824 6.048 ( -2.503 0.000 -6.296) 6.775 6.276 ( -13.054 0.000 -7.898) 15.257 6.421 ( 3.740 -0.000 -24.271) 24.557 6.714 ( 8.519 -0.000 4.705) 9.732 6.858 ( 19.526 -0.000 15.075) 24.668 7.405 ( 4.360 -0.000 10.649) 11.507 7.527 ( 12.879 -0.000 -14.593) 19.463 7.604 ( 1.372 -0.000 42.551) 42.573 8.151 ( -8.954 0.000 -14.372) 16.933 8.186 ( 6.430 -0.000 -5.046) 8.173 8.549 ( 10.203 -0.000 2.255) 10.449 8.667 ( -2.806 0.000 18.498) 18.710 8.996 ( -3.128 0.000 5.688) 6.492 9.216 ( 1.732 -0.000 -14.733) 14.835 9.765 ( -15.088 0.000 0.126) 15.089 9.886 ( 5.615 -0.000 -17.975) 18.831 10.210 ( -1.886 0.000 -3.932) 4.361 10.764 ( -3.408 0.000 9.214) 9.824 11.173 ( -8.732 0.000 -14.896) 17.267 11.340 ( 18.561 -0.000 1.640) 18.633 11.629 ( -1.550 0.000 20.333) 20.392 11.709 ( -2.147 0.000 7.606) 7.903 12.141 ( -2.509 0.000 17.573) 17.751 12.427 ( 11.178 -0.000 13.672) 17.660 12.542 ( 5.625 -0.000 -0.961) 5.706 12.612 ( -11.736 0.000 -1.340) 11.812 12.880 ( 3.469 -0.000 -18.096) 18.425 13.664 ( 0.901 -0.000 11.896) 11.930 15.538 ( 14.558 -0.000 -35.607) 38.468 15.756 ( -15.082 0.000 -12.361) 19.500 15.801 ( -9.730 0.000 -17.572) 20.086 16.692 ( 3.747 -0.000 -20.027) 20.375 17.692 ( 14.469 -0.000 -2.287) 14.649 18.140 ( 11.845 -0.000 -3.806) 12.442 18.630 ( -14.257 0.000 -14.709) 20.485 19.073 ( 7.510 -0.000 -16.374) 18.014 19.229 ( -1.233 0.000 3.155) 3.387 19.587 ( -0.977 0.000 0.808) 1.268 19.811 ( -1.564 0.000 21.904) 21.960 20.334 ( -7.247 0.000 12.579) 14.517 20.415 ( -3.332 0.000 16.709) 17.038 20.530 ( -1.696 0.000 3.895) 4.248 21.136 ( -6.406 0.000 2.627) 6.923 21.676 ( 7.233 -0.000 5.955) 9.368 22.156 ( -3.753 0.000 6.057) 7.125 22.673 ( 0.661 -0.000 1.232) 1.398 22.681 ( 8.942 -0.000 -5.518) 10.508 23.717 ( -6.359 0.000 6.040) 8.770 23.731 ( 1.507 -0.000 -11.211) 11.312 24.201 ( -0.061 0.000 7.165) 7.166 24.884 ( -1.815 0.000 9.156) 9.335 25.092 ( -9.171 0.000 -8.635) 12.597 25.357 ( -4.475 0.000 -0.382) 4.491 26.360 ( 21.089 -0.000 7.224) 22.292 26.660 ( -0.738 0.000 1.727) 1.878 26.868 ( -0.509 0.000 7.128) 7.146 26.997 ( 4.192 -0.000 -0.160) 4.195 28.468 ( -5.420 0.000 -14.348) 15.338 ======================= Grid point 133 (68/144) ======================= q-point: (-0.29 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -11.895 -0.745 36.937) 38.812 2.092 ( -24.151 -17.183 13.222) 32.456 2.782 ( -18.719 -4.147 -4.458) 19.684 2.861 ( 2.239 -1.109 21.408) 21.554 3.423 ( -9.548 -3.916 8.981) 13.681 3.680 ( -15.131 -4.478 19.492) 25.078 4.044 ( 5.329 -0.197 3.826) 6.563 4.530 ( -9.994 -0.167 30.070) 31.688 4.559 ( -4.370 -12.287 7.434) 15.011 4.676 ( -3.759 8.716 -3.291) 10.046 5.163 ( -1.012 -0.349 17.084) 17.118 5.303 ( -1.088 0.196 -14.933) 14.973 5.443 ( -6.761 1.785 6.838) 9.780 5.718 ( -0.646 -5.343 4.856) 7.249 5.933 ( -10.067 1.905 -10.143) 14.417 6.098 ( -5.616 3.164 -4.940) 8.122 6.502 ( 7.106 -10.249 -13.274) 18.213 6.795 ( 3.014 0.077 6.061) 6.770 7.104 ( 7.970 0.870 16.209) 18.084 7.357 ( -6.902 3.429 1.510) 7.854 7.433 ( 5.062 11.706 -2.759) 13.048 7.820 ( -4.870 -6.757 22.714) 24.193 8.065 ( 3.558 1.677 0.127) 3.935 8.327 ( 16.292 -2.215 -9.013) 18.750 8.641 ( 8.491 5.571 17.416) 20.161 8.716 ( 6.269 6.476 -8.193) 12.180 8.851 ( 2.763 5.948 17.841) 19.008 9.263 ( 0.231 -5.017 -18.769) 19.429 9.627 ( -12.871 -5.276 -8.616) 16.362 9.992 ( 4.592 -9.368 -4.878) 11.517 10.163 ( -5.590 -1.193 -1.593) 5.933 10.580 ( -5.779 17.362 -0.279) 18.300 11.078 ( -8.539 -3.222 -8.769) 12.657 11.454 ( 1.723 -0.618 5.699) 5.986 11.656 ( -3.216 3.676 9.013) 10.252 11.720 ( 6.389 2.377 11.583) 13.440 12.129 ( 0.803 7.151 10.020) 12.337 12.400 ( -1.779 9.238 2.273) 9.678 12.564 ( 1.844 -3.384 -13.950) 14.472 12.710 ( 8.822 -3.987 15.805) 18.535 12.907 ( 3.990 -3.700 -10.188) 11.550 13.741 ( -3.365 -5.815 11.366) 13.203 15.570 ( 2.966 -3.908 -32.210) 32.582 15.634 ( 0.266 -3.886 -4.666) 6.078 15.749 ( -1.459 -9.148 -19.986) 22.028 16.622 ( 0.263 3.481 -23.361) 23.620 17.783 ( 12.644 5.041 -1.016) 13.649 18.289 ( 1.342 -4.177 -6.052) 7.475 18.447 ( -6.623 -2.867 -13.591) 15.388 18.967 ( 1.339 9.188 -13.230) 16.163 19.345 ( 3.854 -7.940 0.796) 8.862 19.588 ( 0.186 -2.652 -0.124) 2.661 19.805 ( -1.610 8.240 22.443) 23.962 20.266 ( -9.368 0.086 11.223) 14.620 20.436 ( -0.523 3.981 15.564) 16.073 20.571 ( 2.596 -1.827 10.839) 11.295 21.079 ( -6.145 -1.166 1.309) 6.390 21.724 ( 3.252 4.124 3.942) 6.567 22.160 ( -1.859 -2.069 4.404) 5.209 22.626 ( 0.281 4.323 1.143) 4.480 22.818 ( 8.542 -4.299 -6.569) 11.601 23.646 ( -1.344 1.666 -3.416) 4.031 23.750 ( -2.271 -3.672 -3.950) 5.852 24.229 ( -1.829 -1.371 8.216) 8.528 24.847 ( -0.431 5.385 8.422) 10.006 24.954 ( -7.993 3.344 -4.017) 9.551 25.287 ( -5.646 0.983 -0.125) 5.732 26.034 ( 0.468 35.540 9.695) 36.842 26.777 ( 0.286 -3.428 3.019) 4.577 27.047 ( 6.824 0.228 0.412) 6.840 27.386 ( 17.293 -35.715 0.859) 39.690 28.355 ( -8.538 -1.513 -14.747) 17.107 ======================= Grid point 134 (69/144) ======================= q-point: (-0.14 -0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -24.486 -0.184 12.072) 27.300 2.316 ( -13.502 -21.721 20.181) 32.578 2.589 ( -23.183 -21.314 11.739) 33.609 3.259 ( 30.913 -0.250 23.471) 38.814 3.431 ( -8.602 -7.296 12.456) 16.804 3.759 ( 0.646 -6.161 9.000) 10.926 4.195 ( 9.612 -4.730 12.854) 16.733 4.441 ( -2.243 11.109 -0.712) 11.355 4.525 ( -10.807 -1.437 23.891) 26.261 4.724 ( -12.241 -8.548 17.362) 22.899 5.206 ( -5.698 -8.123 -13.450) 16.714 5.323 ( -7.943 -2.232 17.725) 19.551 5.371 ( 6.887 -1.681 -4.276) 8.279 5.567 ( -13.274 8.460 -1.450) 15.808 5.786 ( -6.556 3.247 -2.680) 7.791 6.144 ( 2.742 -8.592 -0.982) 9.072 6.599 ( 0.852 5.445 -4.810) 7.315 6.813 ( -2.751 9.679 -2.522) 10.373 6.962 ( -5.997 3.251 5.029) 8.475 7.287 ( 1.547 -1.732 12.905) 13.112 7.521 ( -1.631 -8.718 12.928) 15.677 7.923 ( -6.331 -6.010 5.880) 10.526 8.068 ( 8.684 8.577 10.963) 16.406 8.234 ( -1.201 19.853 10.547) 22.513 8.691 ( 12.944 -4.578 -9.394) 16.636 8.808 ( 8.937 7.608 2.857) 12.079 9.012 ( 15.573 -9.006 8.768) 20.012 9.199 ( -9.565 -1.447 -15.719) 18.457 9.634 ( -0.066 -7.710 -13.758) 15.771 9.974 ( -9.332 8.672 3.965) 13.342 10.187 ( -9.852 12.474 -8.513) 18.032 10.326 ( 9.645 -14.556 -3.306) 17.772 10.957 ( -10.618 3.798 -2.497) 11.550 11.425 ( 2.092 8.432 0.016) 8.687 11.645 ( -5.419 -4.764 16.285) 17.812 11.740 ( 3.731 5.110 2.544) 6.819 12.019 ( -1.038 7.310 0.547) 7.403 12.278 ( 3.598 8.176 -0.145) 8.934 12.539 ( -6.069 -4.433 -18.081) 19.581 12.927 ( 13.378 -1.043 1.849) 13.545 12.997 ( 6.118 -1.250 14.356) 15.655 13.807 ( -8.222 -5.249 3.857) 10.489 15.542 ( -0.389 -4.848 -25.908) 26.361 15.841 ( 8.839 -13.443 1.924) 16.203 15.928 ( 8.896 -15.437 -17.199) 24.764 16.423 ( -0.280 10.470 -23.733) 25.942 17.798 ( -1.436 2.287 -2.713) 3.828 18.184 ( -9.596 -0.983 -11.362) 14.905 18.509 ( 12.819 3.561 -6.332) 14.734 18.811 ( -4.063 0.723 -12.164) 12.846 19.442 ( 3.746 2.731 4.006) 6.127 19.645 ( -6.250 8.813 13.155) 17.023 19.820 ( 9.107 -14.363 4.081) 17.490 20.212 ( -7.131 -0.020 10.439) 12.642 20.380 ( -1.912 7.049 13.818) 15.630 20.693 ( 3.708 -1.981 15.542) 16.100 21.061 ( -2.117 -2.684 0.029) 3.419 21.636 ( -1.147 8.808 1.370) 8.988 22.204 ( -0.064 -3.066 2.203) 3.776 22.558 ( -2.207 3.470 2.954) 5.063 22.917 ( 4.636 -1.141 -12.519) 13.399 23.612 ( 0.508 -0.642 -9.332) 9.367 23.768 ( -3.192 -3.016 3.874) 5.856 24.254 ( -5.037 -2.584 9.161) 10.769 24.769 ( -1.450 8.660 12.639) 15.390 24.792 ( -5.991 4.392 3.711) 8.304 25.221 ( -3.727 0.117 0.366) 3.747 25.572 ( -5.557 19.214 9.089) 21.970 26.825 ( -2.030 -2.840 2.344) 4.205 27.121 ( 9.849 2.188 0.954) 10.134 28.091 ( 16.205 -20.729 -12.144) 28.979 28.229 ( -4.064 -2.846 -11.220) 12.267 ======================= Grid point 140 (70/144) ======================= q-point: (-0.29 -0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -26.729 0.000 24.508) 36.264 1.841 ( -26.428 0.000 6.361) 27.183 2.274 ( -30.798 0.000 24.578) 39.403 3.237 ( 28.890 -0.000 21.134) 35.795 3.372 ( -4.085 0.000 9.611) 10.443 3.409 ( -30.879 0.000 43.505) 53.350 4.260 ( 19.076 -0.000 11.502) 22.275 4.380 ( 2.117 -0.000 4.704) 5.158 4.560 ( -6.351 0.000 22.408) 23.291 4.787 ( 0.543 -0.000 -4.970) 5.000 5.182 ( -6.147 0.000 -27.017) 27.708 5.195 ( -5.369 0.000 22.991) 23.609 5.428 ( -6.794 0.000 23.304) 24.274 5.682 ( 5.804 -0.000 -6.426) 8.659 5.806 ( -13.831 0.000 -7.122) 15.557 6.176 ( 6.220 -0.000 1.322) 6.359 6.354 ( 2.867 -0.000 -17.097) 17.336 6.815 ( -0.283 0.000 -0.516) 0.588 7.220 ( -2.050 0.000 17.593) 17.712 7.249 ( -11.207 0.000 -8.096) 13.826 7.585 ( -2.883 0.000 -9.113) 9.558 7.740 ( -9.116 0.000 21.206) 23.082 8.133 ( 14.585 -0.000 7.205) 16.267 8.499 ( 19.458 -0.000 -9.814) 21.792 8.831 ( -8.542 0.000 1.819) 8.734 8.834 ( 7.390 -0.000 -13.084) 15.027 8.916 ( 5.452 -0.000 10.508) 11.838 9.211 ( 11.055 -0.000 -4.170) 11.815 9.433 ( -11.907 0.000 4.619) 12.772 9.937 ( -0.633 0.000 -2.160) 2.251 10.075 ( -4.065 0.000 0.184) 4.069 10.706 ( -7.331 0.000 5.590) 9.219 10.897 ( -5.850 0.000 -15.886) 16.929 11.409 ( -9.665 0.000 15.439) 18.215 11.706 ( 3.252 -0.000 1.792) 3.713 11.850 ( 4.381 -0.000 5.479) 7.015 12.272 ( 1.444 -0.000 12.073) 12.159 12.427 ( -6.141 0.000 -23.257) 24.054 12.611 ( 14.374 -0.000 10.593) 17.855 12.788 ( 7.498 -0.000 -0.810) 7.541 12.903 ( 4.998 -0.000 8.777) 10.101 13.665 ( -8.137 0.000 10.085) 12.958 15.406 ( -4.594 0.000 -16.252) 16.889 15.596 ( 1.811 -0.000 -7.316) 7.537 15.679 ( 14.248 -0.000 -25.775) 29.451 16.574 ( 1.799 -0.000 -27.044) 27.103 17.774 ( -19.717 0.000 -6.803) 20.857 18.332 ( 6.853 -0.000 -3.570) 7.727 18.337 ( 10.997 -0.000 -11.910) 16.211 19.083 ( 4.486 -0.000 -23.077) 23.509 19.235 ( -0.338 0.000 3.227) 3.245 19.593 ( 0.803 -0.000 5.723) 5.780 19.926 ( -4.036 0.000 19.894) 20.299 20.221 ( -4.559 0.000 13.621) 14.364 20.562 ( 3.348 -0.000 18.885) 19.179 20.620 ( 2.595 -0.000 14.647) 14.875 20.994 ( -6.299 0.000 0.091) 6.300 21.803 ( 1.713 -0.000 2.098) 2.709 22.147 ( 0.014 -0.000 3.637) 3.637 22.674 ( -2.401 0.000 3.121) 3.938 22.826 ( 6.991 -0.000 -9.922) 12.138 23.647 ( -1.999 0.000 -15.469) 15.598 23.664 ( -1.483 0.000 5.790) 5.977 24.210 ( -4.583 0.000 8.191) 9.385 24.905 ( -2.407 0.000 -4.886) 5.447 24.915 ( -0.670 0.000 8.719) 8.744 25.218 ( -7.414 0.000 -0.042) 7.414 26.657 ( -0.621 0.000 1.408) 1.539 26.861 ( 18.516 -0.000 3.342) 18.815 26.890 ( -2.206 0.000 8.192) 8.484 27.155 ( 10.905 -0.000 0.129) 10.905 28.194 ( -9.709 0.000 -13.051) 16.267 ======================= Grid point 141 (71/144) ======================= q-point: (-0.14 -0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -38.673 -4.986 -15.726) 42.045 1.822 ( -14.219 -30.920 24.655) 42.025 2.368 ( 2.030 -2.091 55.786) 55.862 3.299 ( -14.694 -6.112 42.153) 45.058 3.513 ( -9.446 -15.020 29.022) 34.017 3.595 ( 16.475 -3.339 20.852) 26.784 4.355 ( 8.959 9.343 2.129) 13.118 4.528 ( 0.581 4.094 12.332) 13.007 4.603 ( 14.373 2.676 7.655) 16.503 4.736 ( 1.647 1.063 6.891) 7.164 5.011 ( -5.978 -2.469 -16.967) 18.159 5.272 ( -1.970 -6.298 13.990) 15.468 5.391 ( -4.839 7.500 7.491) 11.653 5.600 ( -6.277 4.293 -2.357) 7.962 5.756 ( 1.318 -0.265 0.284) 1.374 6.130 ( 5.866 2.687 -4.172) 7.683 6.538 ( -0.381 -11.205 -3.967) 11.893 6.828 ( -0.391 -4.874 -0.935) 4.978 6.995 ( -10.392 11.620 -13.766) 20.797 7.222 ( -4.884 -3.307 8.249) 10.141 7.446 ( -9.306 1.480 8.991) 13.024 7.773 ( -8.309 -6.013 8.110) 13.075 8.313 ( 2.341 4.605 9.579) 10.883 8.505 ( 1.031 11.808 -0.772) 11.878 8.721 ( 9.353 -4.459 -16.395) 19.395 8.881 ( -0.602 0.245 -0.841) 1.063 8.987 ( 0.751 -5.349 -12.943) 14.024 9.201 ( 2.300 11.493 8.809) 14.662 9.575 ( 15.320 -9.529 7.970) 19.723 9.842 ( -15.680 -2.295 1.774) 15.946 10.201 ( 7.279 -8.092 -0.462) 10.894 10.430 ( -5.531 17.699 -1.521) 18.606 10.849 ( -6.155 -1.971 -6.415) 9.106 11.390 ( -11.380 -5.315 17.578) 21.604 11.726 ( 6.290 5.108 0.690) 8.132 11.830 ( -1.400 4.685 -4.173) 6.428 12.212 ( 0.587 11.951 -1.311) 12.037 12.296 ( -3.755 -2.676 -12.256) 13.095 12.575 ( 7.556 15.651 -1.449) 17.440 13.008 ( 11.320 -5.637 0.840) 12.673 13.090 ( 8.477 -6.948 18.423) 21.437 13.623 ( -12.304 -4.754 7.514) 15.181 15.374 ( 0.366 -5.080 -18.014) 18.720 15.758 ( 13.007 -10.504 1.031) 16.751 15.809 ( 13.056 -7.971 -19.101) 24.471 16.474 ( 4.248 5.095 -28.145) 28.917 17.498 ( -30.031 -6.560 -8.277) 31.835 18.273 ( 8.252 7.420 -5.031) 12.184 18.591 ( 11.841 -7.689 -6.757) 15.653 18.866 ( 0.666 14.704 -17.214) 22.649 19.410 ( 1.466 -12.442 -0.851) 12.557 19.628 ( 1.516 -0.324 5.970) 6.168 19.855 ( -8.902 4.157 11.890) 15.424 20.246 ( 1.883 2.408 13.958) 14.288 20.573 ( 3.569 8.732 19.836) 21.965 20.764 ( 3.873 -2.578 18.190) 18.776 20.979 ( -0.528 -4.157 0.161) 4.193 21.757 ( -1.007 6.553 -0.640) 6.661 22.178 ( 0.979 -1.666 2.353) 3.045 22.604 ( -3.496 4.376 2.718) 6.226 22.865 ( -0.806 -2.172 -13.219) 13.421 23.550 ( -3.847 -0.510 -13.210) 13.768 23.713 ( 0.210 -3.054 6.508) 7.192 24.192 ( -5.439 -1.341 9.089) 10.676 24.834 ( -2.085 5.493 0.181) 5.878 24.909 ( 0.077 4.309 10.045) 10.931 25.156 ( -5.289 -2.111 -0.136) 5.696 26.020 ( -8.119 43.203 12.703) 45.758 26.790 ( -1.113 -0.670 4.137) 4.336 27.289 ( 14.308 1.023 0.190) 14.346 27.740 ( 11.002 -37.525 -15.236) 41.968 28.083 ( -2.705 -6.510 -9.105) 11.515 ======================= Grid point 148 (72/144) ======================= q-point: (-0.14 -0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -16.560 0.000 5.970) 17.603 1.485 ( -10.303 0.000 39.715) 41.029 2.648 ( 3.778 -0.000 43.286) 43.451 3.264 ( -6.617 0.000 75.254) 75.544 3.455 ( 1.810 -0.000 22.744) 22.816 3.777 ( 9.644 -0.000 28.025) 29.638 4.414 ( -9.134 0.000 9.407) 13.112 4.705 ( -3.472 0.000 -10.083) 10.664 4.803 ( -1.631 0.000 -18.378) 18.450 4.881 ( 28.765 -0.000 2.604) 28.882 4.920 ( 18.371 -0.000 11.926) 21.903 5.225 ( -0.962 0.000 8.706) 8.759 5.521 ( -0.987 0.000 -9.183) 9.236 5.557 ( 2.889 -0.000 30.994) 31.128 5.816 ( 5.132 -0.000 -0.726) 5.183 6.276 ( -4.340 0.000 -6.420) 7.749 6.307 ( 2.445 -0.000 -0.346) 2.470 6.721 ( -2.116 0.000 -12.366) 12.545 6.929 ( -7.668 0.000 -21.007) 22.363 7.148 ( -11.735 0.000 20.669) 23.767 7.449 ( -1.609 0.000 -2.334) 2.834 7.569 ( -16.519 0.000 3.660) 16.919 8.265 ( -9.880 0.000 -13.114) 16.419 8.665 ( -0.799 0.000 -12.321) 12.347 8.705 ( 8.554 -0.000 17.319) 19.316 8.836 ( -5.489 0.000 -8.965) 10.512 8.925 ( -3.032 0.000 -5.869) 6.606 9.438 ( 8.964 -0.000 10.273) 13.634 9.623 ( -9.548 0.000 -3.949) 10.332 9.726 ( 16.326 -0.000 16.151) 22.965 10.242 ( 10.051 -0.000 2.972) 10.481 10.461 ( -16.894 0.000 2.077) 17.021 10.789 ( 5.520 -0.000 -11.851) 13.074 11.265 ( -13.506 0.000 21.496) 25.387 11.828 ( 5.420 -0.000 -4.160) 6.832 11.841 ( -1.970 0.000 -5.393) 5.742 12.002 ( -13.974 0.000 -28.364) 31.619 12.547 ( 13.523 -0.000 9.433) 16.488 12.813 ( 1.415 -0.000 -12.152) 12.234 13.095 ( 18.102 -0.000 12.256) 21.861 13.109 ( 3.732 -0.000 14.647) 15.115 13.461 ( -15.105 0.000 10.155) 18.201 15.301 ( 2.935 -0.000 -10.228) 10.641 15.795 ( 9.580 -0.000 -24.123) 25.956 15.898 ( 25.748 -0.000 11.010) 28.003 16.513 ( 12.220 -0.000 -28.466) 30.978 17.053 ( -31.410 0.000 -4.931) 31.794 18.341 ( -3.588 0.000 -8.636) 9.352 18.674 ( 18.254 -0.000 -6.182) 19.272 19.008 ( 4.673 -0.000 -21.602) 22.101 19.245 ( -1.398 0.000 3.378) 3.656 19.672 ( -0.020 0.000 9.316) 9.316 19.781 ( -15.413 0.000 8.391) 17.549 20.338 ( 1.367 -0.000 8.477) 8.586 20.717 ( -3.659 0.000 10.396) 11.021 20.955 ( 22.566 -0.000 25.758) 34.245 20.967 ( 4.073 -0.000 6.365) 7.556 21.789 ( -2.530 0.000 -3.271) 4.135 22.185 ( 1.084 -0.000 2.059) 2.327 22.612 ( -4.369 0.000 3.686) 5.716 22.744 ( -9.924 0.000 -14.439) 17.520 23.438 ( -5.060 0.000 -11.637) 12.689 23.733 ( 2.673 -0.000 8.877) 9.270 24.163 ( -3.372 0.000 9.426) 10.010 24.900 ( 2.650 -0.000 -1.429) 3.011 24.971 ( -0.491 0.000 8.575) 8.589 25.057 ( -5.969 0.000 1.023) 6.056 26.651 ( -0.575 0.000 1.115) 1.254 26.881 ( -3.613 0.000 8.123) 8.891 27.049 ( -1.743 0.000 -11.649) 11.778 27.494 ( 17.433 -0.000 -1.622) 17.508 27.933 ( -6.191 0.000 -9.361) 11.223 ======================= Grid point 149 (73/144) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 28.629 -0.000 32.351) 43.200 2.505 ( 3.400 -0.000 37.648) 37.802 3.442 ( -25.776 0.000 44.639) 51.547 4.100 ( -8.742 0.000 -0.623) 8.764 4.109 ( -8.353 0.000 -8.056) 11.605 4.202 ( -3.676 0.000 15.803) 16.224 4.317 ( 2.970 -0.000 17.835) 18.081 4.513 ( 4.330 -0.000 -8.358) 9.413 4.853 ( 6.224 -0.000 -12.299) 13.785 5.159 ( 8.515 -0.000 -2.047) 8.757 5.451 ( -5.192 0.000 8.717) 10.146 5.579 ( -7.811 0.000 25.976) 27.124 5.656 ( -2.698 0.000 -7.311) 7.793 5.846 ( 2.719 -0.000 9.921) 10.286 5.848 ( -13.000 0.000 -19.557) 23.484 6.160 ( 10.101 -0.000 -1.194) 10.172 6.255 ( 8.027 -0.000 12.392) 14.765 6.574 ( -8.562 0.000 23.526) 25.036 6.634 ( 8.799 -0.000 3.423) 9.441 7.187 ( -9.315 0.000 6.523) 11.372 7.564 ( 4.588 -0.000 11.783) 12.645 7.731 ( 25.490 -0.000 0.564) 25.496 7.791 ( 5.791 -0.000 -10.269) 11.789 8.177 ( -4.065 0.000 -13.469) 14.069 8.341 ( -14.632 0.000 -5.414) 15.602 8.909 ( -3.622 0.000 13.852) 14.318 9.354 ( -14.890 0.000 24.956) 29.060 9.372 ( -3.620 0.000 -8.274) 9.031 9.681 ( -7.199 0.000 -6.349) 9.599 9.869 ( 2.361 -0.000 -28.660) 28.757 10.344 ( 0.712 -0.000 5.932) 5.975 10.426 ( 10.242 -0.000 -3.817) 10.930 10.739 ( 7.350 -0.000 -13.177) 15.088 11.329 ( 2.056 -0.000 -9.293) 9.518 11.448 ( -18.133 0.000 7.247) 19.527 11.611 ( -2.108 0.000 9.624) 9.853 11.686 ( 1.356 -0.000 -3.048) 3.336 12.432 ( -0.954 0.000 -13.813) 13.846 12.957 ( 4.705 -0.000 9.326) 10.446 13.257 ( -3.032 0.000 -3.987) 5.009 13.357 ( -7.233 0.000 2.805) 7.757 13.567 ( -7.225 0.000 15.897) 17.462 14.966 ( 3.964 -0.000 -30.253) 30.511 15.459 ( 15.916 -0.000 -15.419) 22.160 16.410 ( -7.932 0.000 3.009) 8.483 16.428 ( 23.984 -0.000 -8.539) 25.459 17.216 ( 31.252 -0.000 10.843) 33.080 17.742 ( -14.520 0.000 -15.734) 21.410 18.666 ( -3.395 0.000 -16.520) 16.865 18.760 ( 5.856 -0.000 -12.457) 13.765 19.259 ( -0.566 0.000 7.775) 7.796 19.781 ( -10.432 0.000 17.515) 20.386 19.788 ( -4.684 0.000 2.340) 5.237 20.430 ( -4.127 0.000 6.759) 7.920 20.710 ( 4.125 -0.000 -2.660) 4.909 21.382 ( 0.262 -0.000 3.074) 3.085 21.421 ( -6.167 0.000 -5.443) 8.225 21.654 ( 0.445 -0.000 4.556) 4.578 22.246 ( 0.550 -0.000 1.810) 1.892 22.395 ( 0.461 -0.000 -2.609) 2.649 22.654 ( -1.773 0.000 4.391) 4.735 23.233 ( 6.173 -0.000 -8.722) 10.685 24.125 ( 2.811 -0.000 13.810) 14.093 24.397 ( -0.498 0.000 9.573) 9.586 24.933 ( 4.965 -0.000 -2.345) 5.491 24.964 ( -4.320 0.000 1.458) 4.559 25.284 ( 1.958 -0.000 13.396) 13.539 26.472 ( -13.812 0.000 -12.180) 18.415 26.688 ( -0.021 0.000 2.982) 2.982 27.006 ( -6.996 0.000 9.979) 12.187 27.345 ( -10.665 0.000 -11.884) 15.968 27.842 ( 17.059 -0.000 -7.425) 18.605 ======================= Grid point 150 (74/144) ======================= q-point: ( 0.14 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 24.588 0.125 28.411) 37.574 2.762 ( 3.386 -8.114 31.415) 32.622 3.366 ( -23.382 -9.900 35.070) 43.297 3.875 ( -10.162 10.742 -1.369) 14.851 3.951 ( 1.012 7.789 -8.591) 11.641 4.256 ( -7.836 -2.764 13.759) 16.073 4.312 ( -6.984 7.445 9.264) 13.785 4.466 ( 8.298 12.428 -1.017) 14.978 4.848 ( 4.119 4.220 -6.477) 8.759 5.090 ( -15.974 0.808 -2.800) 16.238 5.322 ( 1.261 5.068 1.708) 5.495 5.499 ( -0.090 2.795 -0.114) 2.799 5.662 ( -3.219 -7.618 4.056) 9.211 5.766 ( -8.003 -8.059 -1.301) 11.432 5.950 ( -0.368 12.626 -2.613) 12.899 6.085 ( 0.518 -6.621 17.311) 18.541 6.535 ( -8.296 0.768 20.609) 22.229 6.678 ( 6.123 -17.150 3.047) 18.463 6.734 ( -1.831 -7.564 10.821) 13.328 7.200 ( -10.695 -7.207 30.811) 33.401 7.688 ( 9.355 -10.846 -16.869) 22.130 7.868 ( -6.439 9.459 -6.876) 13.350 7.976 ( 24.323 0.487 3.984) 24.652 8.157 ( 6.557 0.501 7.492) 9.969 8.264 ( 13.410 -3.126 -8.666) 16.270 8.936 ( -1.874 2.506 13.011) 13.382 9.104 ( -13.514 9.548 -1.949) 16.661 9.251 ( -5.703 3.442 -3.715) 7.627 9.587 ( -8.331 -0.585 2.412) 8.693 9.764 ( -4.232 2.181 -17.340) 17.982 10.348 ( 3.292 4.005 -8.683) 10.113 10.510 ( 2.161 -0.125 -4.713) 5.186 10.771 ( 5.274 -0.888 -9.629) 11.015 11.298 ( -13.546 -3.300 4.181) 14.555 11.414 ( 5.994 -7.398 -7.654) 12.217 11.648 ( -1.287 -2.379 7.540) 8.011 11.705 ( 4.279 2.273 1.017) 4.950 12.349 ( 0.440 3.292 -5.491) 6.417 12.812 ( -3.050 13.540 6.478) 15.316 13.210 ( 0.675 6.910 1.801) 7.172 13.409 ( -6.647 -10.642 -5.000) 13.507 13.505 ( -9.177 1.007 14.658) 17.323 14.999 ( 3.776 -11.045 -31.091) 33.210 15.583 ( 17.645 2.544 -13.717) 22.494 16.299 ( -5.660 3.479 0.378) 6.654 16.607 ( 19.798 6.158 -6.677) 21.782 17.404 ( 1.397 6.459 -6.082) 8.982 17.813 ( 13.951 -16.591 -3.179) 21.909 18.494 ( -12.820 -0.226 -13.065) 18.306 18.739 ( 5.081 4.150 -9.074) 11.197 19.393 ( -0.666 -8.798 5.777) 10.546 19.695 ( -5.805 5.267 16.821) 18.558 19.739 ( -4.486 -0.983 1.113) 4.725 20.402 ( -2.747 1.605 8.006) 8.615 20.796 ( 7.841 -2.025 -1.666) 8.268 21.182 ( -8.899 8.884 -12.937) 18.042 21.408 ( -2.364 4.406 10.246) 11.401 21.560 ( -8.911 4.373 7.224) 12.277 22.271 ( 0.379 -1.076 2.039) 2.337 22.439 ( 6.043 -1.896 -5.257) 8.231 22.652 ( -1.128 0.080 3.372) 3.556 23.303 ( 8.131 -1.869 -9.639) 12.748 24.195 ( -0.414 -0.460 13.544) 13.558 24.433 ( -1.719 -2.311 8.399) 8.879 24.817 ( 0.229 9.146 2.633) 9.520 25.070 ( 3.406 -5.103 -2.649) 6.683 25.336 ( 1.691 2.159 13.724) 13.995 25.880 ( -10.634 29.830 3.797) 31.895 26.872 ( -0.759 -4.315 3.719) 5.746 27.018 ( -8.114 -5.612 -4.601) 10.886 27.385 ( -10.336 -23.871 -9.938) 27.847 28.006 ( 16.246 -0.391 -8.786) 18.474 ======================= Grid point 151 (75/144) ======================= q-point: ( 0.29 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( -16.874 6.610 26.060) 31.742 3.095 ( 19.505 -5.736 24.759) 32.037 3.457 ( -10.928 -4.085 9.963) 15.342 3.541 ( -13.341 5.868 3.152) 14.911 3.839 ( 5.551 10.423 -2.093) 11.993 4.096 ( 0.406 7.673 0.215) 7.687 4.136 ( 1.630 15.132 1.871) 15.334 4.415 ( 2.240 3.632 13.656) 14.307 4.727 ( -9.999 2.339 -2.445) 10.556 5.010 ( -11.304 -6.813 10.824) 17.069 5.350 ( 11.713 1.737 -6.463) 13.490 5.428 ( -4.760 1.933 -2.957) 5.928 5.718 ( -3.110 4.675 6.430) 8.537 5.845 ( -11.717 -8.212 11.375) 18.279 5.898 ( 5.573 -9.186 6.789) 12.709 6.128 ( -6.902 -1.299 3.721) 7.948 6.511 ( -6.868 0.605 14.906) 16.423 6.824 ( -6.767 -9.760 9.464) 15.186 7.004 ( 1.213 -15.005 -3.337) 15.419 7.390 ( -16.246 21.983 -0.374) 27.337 7.465 ( -4.264 -17.198 41.614) 45.229 7.964 ( 10.801 -9.313 -17.378) 22.481 8.203 ( 6.969 -2.741 6.947) 10.215 8.253 ( 9.361 5.063 13.308) 17.040 8.519 ( 15.096 -6.994 -10.922) 19.902 8.746 ( -7.744 5.207 -5.940) 11.062 8.933 ( 4.755 13.266 9.518) 17.005 9.176 ( -0.366 1.006 -11.397) 11.447 9.499 ( -7.945 -5.126 -5.720) 11.051 9.719 ( 2.841 0.860 12.823) 13.162 10.221 ( 0.939 9.268 -18.500) 20.713 10.448 ( -5.192 -0.221 -5.432) 7.517 10.827 ( 6.300 -0.744 -4.705) 7.898 11.223 ( -11.690 -3.044 2.728) 12.384 11.550 ( -2.941 -2.496 -12.066) 12.668 11.629 ( 5.216 0.711 -9.224) 10.621 11.829 ( 9.822 -5.190 12.241) 16.530 12.313 ( 1.196 4.655 3.221) 5.786 12.645 ( -5.784 2.685 3.896) 7.473 13.069 ( 5.748 12.765 -3.982) 14.555 13.357 ( -3.239 5.099 16.438) 17.513 13.546 ( -12.047 -12.593 -4.329) 17.957 15.150 ( 5.016 -13.007 -30.977) 33.969 15.642 ( 10.008 4.296 -11.019) 15.493 16.170 ( -2.654 5.324 -10.148) 11.763 16.637 ( 16.006 12.056 -0.686) 20.050 17.338 ( -3.161 -4.983 -6.420) 8.720 18.042 ( -1.317 -0.545 -12.919) 12.997 18.532 ( 4.891 -15.480 -1.392) 16.294 18.679 ( 4.207 7.147 -3.667) 9.068 19.410 ( -8.082 2.646 10.794) 13.741 19.617 ( -2.774 4.370 9.337) 10.676 19.840 ( 1.347 -13.535 -0.196) 13.604 20.372 ( -1.944 2.465 8.762) 9.307 20.790 ( -2.219 13.008 -9.306) 16.147 20.995 ( 3.322 -1.655 -2.498) 4.473 21.262 ( -8.133 8.730 13.573) 18.072 21.466 ( -5.196 0.899 5.514) 7.630 22.292 ( 0.300 -0.218 1.648) 1.689 22.529 ( 4.193 -4.065 -5.450) 7.988 22.641 ( -1.765 0.598 1.558) 2.429 23.386 ( 7.987 -1.152 -10.922) 13.580 24.195 ( -3.556 3.469 12.148) 13.124 24.497 ( -4.106 -6.041 8.689) 11.351 24.691 ( -0.499 7.539 5.183) 9.162 25.143 ( 3.715 1.827 -2.149) 4.665 25.329 ( -0.313 5.422 10.785) 12.075 25.469 ( -4.166 11.291 8.211) 14.569 26.908 ( -0.955 -0.862 4.004) 4.206 26.993 ( -3.969 -3.226 -2.316) 5.615 27.621 ( -10.567 -21.633 -14.139) 27.921 28.150 ( 15.330 0.366 -9.724) 18.158 ======================= Grid point 152 (76/144) ======================= q-point: ( 0.43 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -29.703 13.944 15.160) 36.146 3.150 ( -13.283 6.645 16.464) 22.174 3.450 ( 7.945 3.962 6.392) 10.940 3.549 ( 13.725 -0.034 -0.698) 13.743 3.767 ( 2.077 12.364 16.442) 20.676 3.992 ( -0.712 -3.042 -5.401) 6.239 4.073 ( 7.875 4.524 12.629) 15.555 4.456 ( 2.586 0.170 13.703) 13.946 4.623 ( -7.189 -4.160 -7.108) 10.932 5.055 ( -9.501 -5.548 13.804) 17.652 5.299 ( 4.079 6.820 -5.054) 9.418 5.471 ( 3.570 -2.689 -4.137) 6.091 5.657 ( -0.428 1.346 9.178) 9.286 5.846 ( -20.442 -4.745 21.823) 30.276 5.976 ( -0.678 4.680 -0.013) 4.729 6.228 ( 0.993 -13.426 5.698) 14.619 6.455 ( -0.077 6.293 7.903) 10.102 6.674 ( -13.489 30.696 7.936) 34.455 7.015 ( -8.496 -12.021 9.584) 17.565 7.273 ( -0.128 -14.203 -5.523) 15.239 7.821 ( -12.664 -17.733 13.454) 25.609 8.067 ( 7.435 2.099 -1.303) 7.834 8.158 ( -2.469 8.515 16.885) 19.071 8.410 ( 0.299 -4.601 7.783) 9.046 8.526 ( -1.761 1.019 0.188) 2.044 8.747 ( 6.975 -1.581 -29.469) 30.325 8.889 ( -0.718 1.635 22.561) 22.632 9.108 ( 0.956 -0.947 -11.678) 11.755 9.571 ( 7.489 -1.801 -0.764) 7.740 9.844 ( 6.967 -1.826 16.224) 17.750 10.009 ( 5.274 9.793 -14.143) 17.993 10.452 ( -4.268 -8.709 -3.312) 10.249 10.861 ( 5.213 4.374 -0.792) 6.851 11.163 ( -5.706 -2.785 -2.926) 6.991 11.471 ( -4.742 -3.188 -14.118) 15.230 11.666 ( 3.791 -1.179 -8.783) 9.639 12.033 ( 3.051 -3.005 10.544) 11.380 12.204 ( -4.037 6.398 -1.909) 7.802 12.557 ( -3.752 3.914 2.770) 6.088 12.993 ( 10.081 5.313 -3.034) 11.792 13.378 ( 4.312 0.788 19.105) 19.601 13.565 ( -12.779 -10.093 -7.054) 17.746 15.245 ( 6.827 -1.616 -29.011) 29.848 15.638 ( -0.159 -3.904 -12.548) 13.142 15.997 ( 2.252 9.729 -17.183) 19.874 16.596 ( 14.740 15.624 6.621) 22.477 17.426 ( -7.846 -13.834 -6.974) 17.366 17.951 ( -2.022 -0.031 -9.785) 9.992 18.581 ( 4.355 9.825 -0.089) 10.748 18.761 ( 4.981 -1.373 -8.045) 9.561 19.364 ( -3.729 -3.201 14.153) 14.982 19.582 ( -4.129 -2.645 6.237) 7.934 20.114 ( 0.509 -17.581 0.737) 17.604 20.340 ( 3.973 6.528 5.923) 9.668 20.477 ( -7.975 11.571 -3.798) 14.558 21.062 ( -1.954 -0.025 3.708) 4.191 21.143 ( 3.850 5.143 10.085) 11.957 21.433 ( -4.262 -1.905 2.609) 5.348 22.294 ( 0.692 1.151 0.944) 1.641 22.599 ( -3.960 0.990 0.901) 4.180 22.614 ( 0.773 -4.879 -4.688) 6.810 23.433 ( 6.786 0.852 -11.802) 13.640 24.111 ( -3.537 5.858 11.611) 13.477 24.542 ( -6.543 0.208 10.621) 12.476 24.646 ( -2.241 -4.132 3.801) 6.046 25.060 ( 1.871 9.297 6.032) 11.239 25.293 ( -1.740 0.669 2.932) 3.475 25.415 ( 0.132 0.208 7.786) 7.790 26.905 ( -2.842 -0.700 1.610) 3.341 27.056 ( 5.184 -3.578 2.542) 6.792 27.717 ( -11.273 -11.740 -15.131) 22.223 28.263 ( 14.330 2.117 -11.360) 18.409 ======================= Grid point 154 (77/144) ======================= q-point: (-0.43 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( -18.618 13.977 21.232) 31.509 3.047 ( -7.458 5.732 21.177) 23.172 3.301 ( 4.144 11.520 9.547) 15.525 3.652 ( -4.002 0.833 13.373) 13.984 3.862 ( 17.057 -7.734 0.957) 18.753 3.975 ( -1.985 1.255 4.116) 4.739 4.230 ( 1.533 -4.862 12.472) 13.473 4.508 ( -4.710 -6.556 -8.818) 11.955 4.742 ( 12.793 -6.245 11.292) 18.171 5.019 ( -7.430 -0.718 0.859) 7.514 5.245 ( 6.543 9.836 4.858) 12.773 5.442 ( -6.594 6.563 -0.171) 9.305 5.662 ( 0.348 12.195 21.036) 24.317 5.762 ( -8.627 -7.909 14.846) 18.904 5.874 ( -7.487 14.026 18.093) 24.086 6.138 ( -3.081 1.111 -14.231) 14.603 6.367 ( 4.612 10.095 6.206) 12.716 6.500 ( 3.551 -4.864 10.670) 12.252 7.156 ( -6.454 -8.857 3.366) 11.464 7.378 ( -5.508 -2.947 -1.649) 6.460 7.741 ( -20.913 0.455 -0.582) 20.926 8.071 ( -4.199 4.130 5.134) 7.813 8.173 ( 0.070 -3.526 2.358) 4.243 8.357 ( 3.917 1.853 4.654) 6.359 8.573 ( 3.825 6.425 -15.636) 17.332 8.728 ( -7.636 -8.131 -2.685) 11.473 8.929 ( -1.491 -0.468 8.962) 9.097 9.124 ( -3.321 -5.431 8.743) 10.815 9.701 ( 3.264 -4.670 -8.909) 10.576 9.946 ( -4.953 -9.502 8.815) 13.875 10.060 ( 25.647 8.703 10.143) 28.920 10.519 ( 4.692 2.690 -7.071) 8.902 10.824 ( -6.543 -0.675 4.954) 8.235 11.216 ( 5.224 -8.230 -7.626) 12.376 11.447 ( -3.691 -3.869 -13.916) 14.908 11.704 ( -2.098 -6.151 -9.073) 11.160 12.052 ( -1.965 4.662 13.124) 14.066 12.055 ( -4.229 0.337 -12.979) 13.655 12.500 ( 1.009 3.607 8.637) 9.414 13.054 ( 8.736 -0.166 -3.977) 9.600 13.466 ( -5.744 -3.771 6.249) 9.288 13.608 ( 1.047 -5.785 5.916) 8.340 15.193 ( 7.795 4.772 -21.209) 23.094 15.640 ( 0.210 0.859 -21.990) 22.008 15.843 ( 6.126 4.452 -16.936) 18.552 16.509 ( 13.521 17.552 9.309) 24.032 17.445 ( -20.003 -8.591 -8.786) 23.477 18.002 ( 8.108 -4.755 -2.916) 9.841 18.468 ( 2.232 8.329 -0.673) 8.649 18.684 ( 4.037 7.966 -9.417) 12.978 19.483 ( 2.765 -6.016 4.944) 8.263 19.655 ( -8.779 -10.157 9.583) 16.495 20.108 ( -0.393 16.081 -4.302) 16.651 20.350 ( -8.236 -6.755 4.905) 11.727 20.495 ( 8.887 -12.141 9.781) 17.946 21.025 ( -4.540 1.033 5.113) 6.916 21.179 ( 7.438 2.809 6.528) 10.288 21.455 ( -2.696 -4.654 -0.485) 5.400 22.280 ( 1.206 2.232 0.854) 2.677 22.536 ( -5.887 -0.515 -1.647) 6.135 22.666 ( -2.109 -3.504 -0.860) 4.179 23.422 ( 4.784 3.636 -12.118) 13.526 24.038 ( -0.895 4.787 12.221) 13.156 24.472 ( -5.086 3.389 10.554) 12.196 24.711 ( -4.692 -5.505 0.745) 7.272 25.017 ( 1.941 1.452 11.342) 11.598 25.256 ( -2.128 2.252 1.722) 3.545 25.483 ( -3.307 -7.936 7.378) 11.329 26.892 ( -2.312 -0.210 3.684) 4.354 27.219 ( 12.225 -3.336 0.744) 12.694 27.662 ( -11.356 -3.942 -14.323) 18.699 28.291 ( 11.446 7.775 -14.878) 20.318 ======================= Grid point 155 (78/144) ======================= q-point: (-0.29 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 4.235 10.446 34.638) 36.426 2.790 ( -2.701 23.948 23.439) 33.618 3.400 ( -2.129 -7.821 32.784) 33.771 3.783 ( -1.713 -14.181 9.355) 17.075 3.970 ( -1.645 -1.620 5.908) 6.344 4.121 ( 6.160 -8.962 -3.140) 11.319 4.290 ( -6.552 -1.478 13.088) 14.710 4.579 ( -0.675 -8.330 -16.797) 18.761 4.847 ( -4.971 -0.417 -3.800) 6.271 5.110 ( 2.689 16.087 6.074) 17.404 5.147 ( 15.022 10.111 20.423) 27.295 5.248 ( 12.115 -2.026 24.865) 27.733 5.573 ( -3.245 1.836 3.561) 5.156 5.631 ( -10.900 3.934 8.638) 14.454 5.933 ( 5.684 -3.185 14.875) 16.239 6.238 ( 2.884 -8.146 -11.784) 14.613 6.291 ( 6.196 7.228 9.305) 13.312 6.578 ( 0.239 1.477 2.028) 2.521 7.072 ( -3.163 14.379 -2.943) 15.014 7.297 ( 0.676 4.465 -0.351) 4.530 7.511 ( -19.753 -1.288 3.472) 20.097 7.842 ( -15.664 9.240 7.881) 19.821 8.216 ( -0.070 5.778 -3.559) 6.786 8.355 ( -6.029 -6.806 -14.028) 16.717 8.458 ( -1.365 2.743 -12.744) 13.108 8.849 ( -3.625 -14.504 15.721) 21.694 8.993 ( 6.439 -2.849 -1.369) 7.173 9.257 ( -4.257 -9.182 14.875) 17.991 9.632 ( -13.732 -0.844 -0.320) 13.761 10.181 ( 4.751 -8.951 3.398) 10.688 10.222 ( 18.219 5.120 10.062) 21.433 10.411 ( 6.957 11.947 -15.225) 20.565 10.744 ( -8.918 0.759 0.652) 8.974 11.389 ( -2.995 -2.288 -8.638) 9.425 11.460 ( 6.949 -9.481 -9.488) 15.106 11.719 ( -8.864 -5.641 -6.375) 12.290 11.913 ( -5.800 7.382 6.245) 11.275 12.153 ( 4.356 -13.082 -8.498) 16.196 12.531 ( 2.918 -1.625 11.180) 11.669 13.145 ( 6.954 -2.501 -7.376) 10.441 13.455 ( -8.690 -3.736 6.829) 11.666 13.720 ( 1.015 0.018 10.563) 10.611 15.169 ( 11.470 4.627 -13.638) 18.411 15.456 ( 1.873 9.105 -26.904) 28.464 15.901 ( 12.568 -4.375 -17.892) 22.299 16.431 ( 13.652 13.631 9.311) 21.421 17.227 ( -17.440 4.496 -2.306) 18.157 18.129 ( 1.480 1.145 -5.417) 5.731 18.417 ( 2.604 -5.029 -4.219) 7.062 18.638 ( 9.761 3.247 -9.316) 13.878 19.592 ( 0.825 1.322 3.081) 3.452 19.729 ( -3.789 -4.672 7.037) 9.258 19.861 ( -7.238 5.432 1.488) 9.171 20.388 ( -5.359 -5.151 6.281) 9.731 20.814 ( 3.588 -6.464 4.020) 8.415 20.980 ( 1.035 -3.644 5.063) 6.323 21.294 ( 8.489 -2.498 10.639) 13.838 21.494 ( -3.980 -5.410 -4.982) 8.362 22.260 ( 1.423 2.335 1.250) 3.007 22.484 ( -6.702 -2.453 -2.382) 7.524 22.676 ( -3.180 -1.404 2.091) 4.057 23.344 ( 2.636 5.756 -11.471) 13.103 24.022 ( 2.318 3.631 12.964) 13.661 24.410 ( -3.044 3.092 10.831) 11.668 24.738 ( -3.341 -4.811 0.025) 5.857 25.098 ( 1.689 -2.257 8.945) 9.379 25.192 ( -2.586 2.916 3.335) 5.129 25.677 ( -7.408 -21.264 8.941) 24.227 26.887 ( -1.797 -0.074 5.096) 5.404 27.419 ( 16.271 -1.437 -1.993) 16.455 27.509 ( -10.906 1.695 -13.213) 17.216 28.129 ( 5.306 17.822 -18.070) 25.929 ======================= Grid point 156 (79/144) ======================= q-point: (-0.14 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 21.031 5.009 37.950) 43.676 2.512 ( -0.533 17.570 33.420) 37.761 3.540 ( -15.466 -1.080 45.553) 48.119 4.002 ( -2.158 -14.336 -6.811) 16.017 4.063 ( -1.960 -6.770 15.206) 16.759 4.225 ( -4.804 2.461 25.651) 26.213 4.353 ( -0.036 -7.916 -10.222) 12.929 4.495 ( -5.789 2.453 -11.093) 12.751 4.806 ( 2.349 -3.230 -17.216) 17.673 5.053 ( 10.541 4.301 10.280) 15.339 5.336 ( 18.800 1.228 35.631) 40.305 5.477 ( 1.581 4.148 8.607) 9.685 5.571 ( -3.944 -6.237 2.065) 7.663 5.698 ( 6.157 -19.820 2.238) 20.874 5.990 ( 0.947 4.346 1.771) 4.787 6.169 ( -5.163 10.404 -1.194) 11.676 6.397 ( 5.245 4.010 -1.181) 6.707 6.509 ( 1.476 1.031 6.358) 6.608 6.717 ( -1.287 19.253 1.362) 19.344 7.318 ( 0.285 4.726 0.062) 4.735 7.408 ( 0.239 -6.026 6.967) 9.215 7.599 ( -2.622 7.561 8.856) 11.936 7.963 ( -6.605 10.216 -10.666) 16.179 8.316 ( -5.590 2.602 -16.016) 17.162 8.429 ( -14.127 -11.467 -3.693) 18.566 8.932 ( -5.253 0.065 10.268) 11.534 9.244 ( 2.285 -10.031 18.559) 21.219 9.400 ( -7.659 -12.159 -8.672) 16.784 9.564 ( 0.224 -3.807 10.549) 11.217 10.114 ( -2.374 12.351 -19.648) 23.329 10.330 ( 11.437 2.840 -3.594) 12.320 10.365 ( -1.452 -0.572 5.141) 5.373 10.687 ( 4.354 -0.374 -6.711) 8.008 11.352 ( -0.565 -0.780 -10.726) 10.769 11.591 ( -1.368 -2.641 6.273) 6.942 11.631 ( -11.135 0.081 -5.242) 12.308 11.751 ( -4.353 5.917 1.405) 7.479 12.391 ( 2.079 -11.390 -12.223) 16.836 12.719 ( 4.773 -11.478 10.694) 16.398 13.234 ( 3.156 -4.016 -6.468) 8.242 13.452 ( -0.000 2.064 5.932) 6.280 13.654 ( -12.074 4.562 14.895) 19.710 15.098 ( 6.541 10.165 -22.589) 25.619 15.359 ( 9.964 -0.755 -20.561) 22.861 16.130 ( 20.251 -7.272 -12.708) 24.990 16.448 ( 6.657 3.519 5.188) 9.144 17.024 ( 5.626 9.092 8.459) 13.634 17.974 ( -9.685 4.401 -12.863) 16.692 18.620 ( 8.974 -9.133 -5.892) 14.095 18.682 ( 6.178 -0.711 -12.606) 14.056 19.412 ( -2.624 14.323 0.865) 14.587 19.791 ( -3.127 -3.422 5.036) 6.844 19.810 ( -10.741 -4.581 11.921) 16.687 20.429 ( -4.333 -3.482 5.994) 8.175 20.749 ( -1.798 4.709 -3.251) 5.998 21.238 ( 5.522 -9.163 10.036) 14.669 21.491 ( 0.526 -3.238 -4.057) 5.217 21.507 ( 3.735 -6.408 3.315) 8.124 22.247 ( 0.960 1.514 1.503) 2.339 22.436 ( -6.054 -1.170 -2.336) 6.594 22.664 ( -2.785 -0.148 4.143) 4.994 23.248 ( 2.974 4.307 -9.742) 11.059 24.056 ( 3.917 2.172 13.516) 14.238 24.384 ( -1.081 1.760 10.518) 10.719 24.814 ( -0.443 -7.170 0.019) 7.184 25.075 ( -2.138 4.764 -0.973) 5.312 25.211 ( 1.272 -1.135 12.545) 12.661 26.073 ( -9.021 -35.536 5.117) 37.018 26.878 ( -1.778 1.886 4.004) 4.769 27.262 ( -9.009 11.992 -8.965) 17.474 27.561 ( 8.983 6.766 -6.944) 13.217 27.776 ( 3.163 14.356 -13.250) 19.791 ======================= Grid point 158 (80/144) ======================= q-point: ( 0.14 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( 7.390 -0.000 30.654) 31.532 2.990 ( 23.604 -0.000 27.911) 36.554 3.056 ( -24.094 0.000 22.701) 33.104 3.907 ( -0.600 0.000 -17.509) 17.519 3.948 ( -4.712 0.000 1.061) 4.830 4.185 ( -10.611 0.000 22.153) 24.563 4.287 ( -15.877 0.000 15.461) 22.161 4.680 ( 10.411 -0.000 -6.018) 12.025 4.864 ( -21.926 0.000 2.478) 22.066 4.949 ( 3.306 -0.000 -1.004) 3.455 5.401 ( 2.303 -0.000 0.183) 2.310 5.413 ( -12.531 0.000 -11.415) 16.951 5.576 ( 5.709 -0.000 -9.173) 10.804 5.660 ( 1.752 -0.000 22.158) 22.227 5.980 ( -0.138 0.000 -0.298) 0.328 6.261 ( -14.957 0.000 11.608) 18.933 6.378 ( 1.986 -0.000 2.183) 2.951 6.530 ( -6.553 0.000 30.078) 30.784 6.747 ( -0.175 0.000 -3.826) 3.830 7.129 ( -8.162 0.000 34.203) 35.163 7.612 ( 7.958 -0.000 -17.007) 18.777 7.787 ( -15.317 0.000 -10.831) 18.759 8.256 ( 19.666 -0.000 8.339) 21.361 8.285 ( 16.338 -0.000 -6.635) 17.633 8.514 ( 25.265 -0.000 11.526) 27.770 8.780 ( -30.406 0.000 0.057) 30.406 9.172 ( -4.581 0.000 -26.164) 26.563 9.209 ( 19.184 -0.000 7.879) 20.739 9.494 ( -10.912 0.000 13.370) 17.258 9.704 ( -4.408 0.000 -13.935) 14.615 10.462 ( 4.953 -0.000 -3.272) 5.936 10.467 ( -1.541 0.000 -15.457) 15.534 10.777 ( 6.218 -0.000 -8.549) 10.572 11.119 ( -17.290 0.000 17.324) 24.476 11.407 ( 10.719 -0.000 -11.870) 15.993 11.654 ( 0.041 -0.000 8.408) 8.408 11.814 ( 8.091 -0.000 6.453) 10.349 12.332 ( -0.778 0.000 -6.478) 6.524 12.962 ( -12.190 0.000 14.915) 19.263 13.102 ( -6.596 0.000 -11.399) 13.170 13.304 ( 3.405 -0.000 6.636) 7.459 13.493 ( -9.218 0.000 10.856) 14.242 14.844 ( 5.429 -0.000 -33.585) 34.021 15.775 ( 20.493 -0.000 -15.764) 25.854 16.252 ( -6.074 0.000 -3.083) 6.811 16.852 ( 11.456 -0.000 -0.221) 11.459 17.312 ( -8.895 0.000 -17.948) 20.031 17.957 ( 26.868 -0.000 -1.192) 26.894 18.252 ( -18.190 0.000 -9.658) 20.595 18.759 ( 2.672 -0.000 -15.354) 15.585 19.375 ( 1.996 -0.000 8.905) 9.126 19.678 ( -4.669 0.000 0.513) 4.698 19.755 ( -2.247 0.000 18.361) 18.498 20.416 ( -2.554 0.000 10.485) 10.792 20.892 ( 11.868 -0.000 0.807) 11.895 21.089 ( -11.010 0.000 -13.937) 17.761 21.456 ( -17.603 0.000 9.462) 19.984 21.466 ( -2.435 0.000 8.921) 9.247 22.285 ( 1.485 -0.000 3.469) 3.773 22.462 ( 4.767 -0.000 -7.876) 9.206 22.650 ( -1.173 0.000 2.419) 2.689 23.366 ( 10.643 -0.000 -10.707) 15.097 24.215 ( -3.225 0.000 12.628) 13.033 24.402 ( -4.521 0.000 4.964) 6.714 24.919 ( -0.633 0.000 1.373) 1.512 25.086 ( 10.326 -0.000 0.068) 10.326 25.421 ( 1.266 -0.000 14.985) 15.038 26.062 ( -15.734 0.000 -8.453) 17.861 26.726 ( 0.901 -0.000 4.829) 4.913 26.914 ( -6.105 0.000 7.335) 9.543 27.068 ( -7.135 0.000 -6.738) 9.814 28.140 ( 14.403 -0.000 -10.491) 17.818 ======================= Grid point 159 (81/144) ======================= q-point: ( 0.29 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -26.125 10.762 25.839) 38.288 3.212 ( -0.865 -14.749 20.072) 24.923 3.416 ( 29.961 -0.512 12.328) 32.402 3.624 ( -14.707 17.726 6.651) 23.974 3.924 ( -0.471 1.384 -12.169) 12.257 4.114 ( -6.222 0.427 8.951) 10.909 4.246 ( -11.840 -9.053 14.389) 20.717 4.630 ( -12.475 6.816 11.844) 18.503 4.653 ( 7.219 13.443 -5.245) 16.135 4.928 ( -0.300 1.298 5.522) 5.680 5.295 ( -14.372 -4.338 -4.331) 15.624 5.433 ( 0.124 -3.577 2.378) 4.297 5.689 ( 13.216 0.408 -0.371) 13.228 5.802 ( -1.488 -2.455 15.828) 16.086 5.933 ( 3.356 0.754 -3.113) 4.639 6.077 ( -9.288 2.114 7.610) 12.192 6.418 ( -9.402 -4.970 20.507) 23.100 6.686 ( -3.779 -3.574 1.766) 5.493 6.752 ( 2.471 -11.335 -4.904) 12.595 7.229 ( -14.643 -12.862 24.506) 31.311 7.492 ( -12.612 10.821 -1.758) 16.711 7.777 ( 5.365 -12.455 -9.065) 16.312 8.323 ( -1.200 6.852 3.935) 7.992 8.466 ( 7.986 1.476 8.732) 11.924 8.531 ( -7.001 -1.153 3.385) 7.861 8.797 ( 23.273 1.339 -4.068) 23.664 9.016 ( -2.413 2.358 -23.159) 23.403 9.245 ( -10.559 8.347 4.472) 14.183 9.557 ( 19.238 0.894 3.599) 19.592 9.674 ( -1.037 -6.414 4.573) 7.946 10.303 ( -3.902 5.749 -12.226) 14.062 10.452 ( 0.499 3.959 -10.292) 11.038 10.859 ( 9.627 0.280 -0.439) 9.641 11.049 ( -10.611 -3.680 11.726) 16.237 11.504 ( 3.549 -0.588 -8.381) 9.120 11.681 ( 4.805 0.117 0.921) 4.894 11.930 ( 9.566 -0.100 7.043) 11.879 12.343 ( 1.232 -1.839 -1.153) 2.497 12.701 ( -9.869 11.059 8.390) 17.032 13.119 ( -11.577 -8.475 -7.660) 16.264 13.318 ( -2.865 2.927 -0.413) 4.117 13.432 ( -1.209 1.116 19.327) 19.397 14.893 ( 6.595 -11.121 -33.139) 35.572 15.839 ( 10.558 10.429 -13.401) 19.996 16.176 ( 1.119 0.676 -14.920) 14.977 16.867 ( -5.614 -2.794 3.525) 7.194 17.218 ( 5.655 5.592 -15.282) 17.228 17.962 ( -11.011 -0.755 -11.045) 15.614 18.389 ( 16.000 -11.669 -0.546) 19.811 18.745 ( 2.969 -0.759 -12.214) 12.593 19.396 ( -3.286 1.198 7.028) 7.850 19.655 ( -3.190 -1.450 0.931) 3.625 19.786 ( 2.592 2.451 16.462) 16.844 20.410 ( -2.432 1.997 11.824) 12.236 20.866 ( -9.251 6.906 -11.759) 16.479 21.046 ( 10.889 -0.657 2.233) 11.135 21.269 ( -14.513 2.087 11.889) 18.877 21.446 ( -4.937 1.138 6.415) 8.175 22.317 ( 1.730 0.164 4.122) 4.474 22.489 ( 2.082 -1.962 -7.132) 7.685 22.635 ( -1.909 0.738 0.950) 2.256 23.443 ( 9.621 0.054 -11.759) 15.193 24.206 ( -6.178 -0.011 11.069) 12.676 24.379 ( -6.384 -3.403 3.626) 8.092 24.848 ( 0.452 8.473 3.560) 9.201 25.227 ( 11.154 -0.335 0.243) 11.161 25.450 ( -0.321 3.843 13.198) 13.750 25.676 ( -8.575 17.640 0.751) 19.628 26.856 ( -4.825 -4.028 -0.871) 6.346 26.904 ( 0.958 -4.966 5.285) 7.315 27.129 ( -7.222 -18.211 -4.913) 20.197 28.256 ( 11.945 -0.966 -12.043) 16.990 ======================= Grid point 160 (82/144) ======================= q-point: ( 0.43 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -23.705 12.625 22.231) 34.865 3.191 ( -16.473 11.530 14.027) 24.516 3.470 ( 0.830 -7.689 5.556) 9.523 3.673 ( 13.041 3.128 -4.117) 14.028 3.928 ( 5.575 -3.425 3.966) 7.651 4.043 ( -16.282 -1.371 13.938) 21.476 4.263 ( 4.195 21.739 -1.459) 22.189 4.429 ( 0.611 -7.792 3.136) 8.421 4.589 ( -2.020 2.980 18.627) 18.972 4.979 ( 1.305 -1.061 5.443) 5.697 5.230 ( -7.081 -5.783 3.990) 9.975 5.487 ( -8.312 -5.781 6.454) 12.007 5.718 ( 11.489 9.002 -7.587) 16.450 5.824 ( 1.416 0.680 5.693) 5.906 5.994 ( -5.733 -0.855 3.761) 6.909 6.116 ( 6.684 -6.452 12.041) 15.208 6.515 ( -3.971 -7.691 13.435) 15.982 6.654 ( -6.722 -2.041 1.632) 7.212 6.996 ( 0.182 -13.795 -8.391) 16.147 7.141 ( -5.139 20.075 15.389) 25.812 7.298 ( -26.700 -20.813 -0.774) 33.863 8.035 ( 5.790 -10.873 -9.585) 15.608 8.283 ( -0.274 3.114 20.726) 20.961 8.415 ( -8.108 1.326 22.251) 23.719 8.503 ( -1.930 3.489 2.040) 4.479 8.846 ( 6.993 8.961 -28.400) 30.590 8.947 ( -7.272 4.485 11.853) 14.611 9.098 ( 10.841 -0.720 -8.233) 13.632 9.651 ( -12.566 -9.276 5.716) 16.632 9.870 ( 22.357 8.545 -7.665) 25.132 10.222 ( 3.930 -4.151 -0.151) 5.718 10.361 ( 5.317 5.028 -4.848) 8.778 10.903 ( -4.731 0.806 6.443) 8.034 11.089 ( 7.323 -2.131 -3.930) 8.579 11.437 ( -0.143 3.957 -5.086) 6.446 11.721 ( 4.720 3.644 -3.426) 6.877 12.061 ( 4.718 -0.900 4.784) 6.778 12.296 ( -0.779 8.163 -3.604) 8.957 12.552 ( -5.412 0.237 8.720) 10.266 13.067 ( -3.907 -2.359 -14.040) 14.763 13.221 ( -15.348 -4.055 9.522) 18.511 13.547 ( 9.603 -0.641 14.116) 17.085 15.075 ( 7.169 -13.897 -31.470) 35.141 15.653 ( -0.349 10.038 -10.266) 14.362 16.109 ( 5.282 5.756 -22.640) 23.950 16.939 ( 0.821 -5.432 8.569) 10.179 17.087 ( -4.574 4.547 -14.600) 15.961 17.900 ( -0.206 -2.960 -6.806) 7.425 18.655 ( 4.797 -5.440 -12.007) 14.028 18.787 ( 7.248 -0.799 -1.640) 7.474 19.349 ( -3.802 1.023 10.407) 11.126 19.606 ( -2.756 4.553 5.882) 7.932 19.888 ( 0.893 -8.095 4.706) 9.407 20.395 ( -2.071 1.340 12.389) 12.632 20.609 ( -4.676 10.206 -8.237) 13.923 21.047 ( -9.382 1.723 11.180) 14.697 21.273 ( 8.197 0.517 2.898) 8.709 21.388 ( -4.373 0.186 4.765) 6.470 22.339 ( 2.157 1.214 2.775) 3.719 22.528 ( 0.069 -3.702 -4.279) 5.659 22.584 ( -3.570 2.143 0.388) 4.182 23.490 ( 7.243 0.878 -12.142) 14.165 24.154 ( -6.792 1.462 9.793) 12.007 24.400 ( -7.075 -6.485 4.654) 10.667 24.718 ( -0.027 8.549 6.261) 10.597 25.302 ( 8.137 10.695 3.303) 13.838 25.324 ( -3.065 4.878 3.364) 6.671 25.484 ( -1.452 4.612 8.940) 10.164 26.854 ( -2.595 -2.207 0.522) 3.446 27.046 ( 5.390 -6.850 3.985) 9.584 27.321 ( -8.773 -16.780 -8.040) 20.571 28.352 ( 9.383 -1.427 -13.797) 16.746 ======================= Grid point 161 (83/144) ======================= q-point: (-0.43 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -6.204 10.626 30.232) 32.640 3.012 ( -9.693 -0.975 17.563) 20.084 3.492 ( -2.831 3.521 3.744) 5.867 3.757 ( 3.448 -5.508 -11.016) 12.790 3.874 ( -3.831 17.775 11.777) 21.664 3.992 ( -17.161 -9.460 3.709) 19.943 4.037 ( 1.934 0.386 0.577) 2.055 4.491 ( -3.269 2.840 13.292) 13.979 4.784 ( 10.023 -9.304 14.461) 19.904 4.963 ( -1.343 -0.205 -2.125) 2.522 5.338 ( 4.012 -1.392 5.836) 7.217 5.471 ( -11.677 -4.433 3.380) 12.939 5.669 ( 10.187 10.295 -5.388) 15.453 5.867 ( 6.191 -1.526 4.365) 7.727 6.001 ( 1.152 -1.583 4.237) 4.667 6.227 ( 0.484 5.682 7.323) 9.282 6.583 ( 3.421 7.278 14.803) 16.847 6.686 ( 1.013 -0.163 19.565) 19.592 6.821 ( -11.095 -1.329 7.784) 13.618 7.147 ( -10.400 -8.767 1.932) 13.739 7.431 ( -11.495 -19.779 -3.583) 23.156 8.090 ( -4.243 8.579 -3.539) 10.204 8.130 ( -4.737 -0.491 -2.932) 5.593 8.431 ( -0.750 2.983 3.945) 5.003 8.611 ( -0.725 -4.017 9.451) 10.294 8.668 ( -3.454 4.516 7.158) 9.141 8.884 ( -2.879 -2.128 11.461) 12.007 9.147 ( 6.469 5.698 -5.397) 10.170 9.594 ( -17.153 -2.882 -5.405) 18.214 9.906 ( 14.443 0.124 -6.289) 15.753 10.358 ( -0.702 -6.869 -12.098) 13.929 10.513 ( 22.516 0.534 12.722) 25.867 10.797 ( -9.844 2.492 -0.247) 10.157 11.191 ( 10.288 -0.952 -9.934) 14.333 11.426 ( 4.728 0.493 5.446) 7.229 11.647 ( -1.077 5.108 -5.454) 7.549 12.002 ( -3.118 5.382 -10.185) 11.934 12.183 ( 1.866 5.978 3.292) 7.075 12.550 ( -1.926 -0.200 8.308) 8.531 13.038 ( -2.184 -3.740 -13.614) 14.286 13.188 ( -14.791 -8.784 9.521) 19.661 13.728 ( 11.809 -0.629 10.447) 15.779 15.223 ( 8.695 -5.377 -28.714) 30.480 15.542 ( 1.913 -0.010 -10.427) 10.601 15.977 ( 5.210 7.006 -20.535) 22.314 16.873 ( -4.161 9.732 -4.387) 11.457 17.071 ( -4.050 -8.010 1.080) 9.040 17.988 ( 6.431 -5.328 -3.712) 9.140 18.641 ( 2.738 6.751 -6.774) 9.948 18.794 ( 1.850 4.663 -6.701) 8.371 19.404 ( -2.642 -6.239 13.299) 14.925 19.541 ( -1.346 1.703 5.711) 6.110 20.064 ( -3.847 -13.960 -1.492) 14.557 20.306 ( -5.742 10.300 2.288) 12.012 20.520 ( 6.959 -1.820 5.213) 8.883 20.982 ( -8.383 -1.410 11.338) 14.171 21.262 ( -1.828 2.836 0.214) 3.381 21.440 ( 5.575 -0.601 2.259) 6.045 22.351 ( 3.558 1.940 1.385) 4.283 22.485 ( -4.362 3.277 -1.817) 5.750 22.584 ( -1.582 -4.006 1.282) 4.493 23.488 ( 4.625 2.572 -12.271) 13.363 24.099 ( -4.787 1.035 10.864) 11.916 24.444 ( -5.731 -4.868 6.818) 10.150 24.645 ( -0.093 3.152 5.723) 6.534 25.153 ( -1.881 7.681 10.766) 13.358 25.298 ( 2.835 4.887 -1.239) 5.784 25.439 ( -2.812 1.623 7.298) 7.987 26.867 ( -1.539 -1.421 2.545) 3.296 27.275 ( 11.195 -7.982 0.631) 13.764 27.396 ( -8.419 -8.590 -8.169) 14.540 28.396 ( 5.878 0.839 -16.797) 17.816 ======================= Grid point 162 (84/144) ======================= q-point: (-0.29 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 13.867 6.824 37.180) 40.264 3.042 ( -7.839 1.110 24.974) 26.198 3.442 ( 1.869 0.072 3.568) 4.029 3.643 ( -7.148 3.495 24.594) 25.849 3.835 ( -1.901 -7.462 -10.836) 13.294 4.004 ( -6.393 -5.580 -10.873) 13.792 4.081 ( -10.955 -11.900 4.299) 16.736 4.470 ( -4.869 -1.315 10.989) 12.091 4.842 ( -1.401 2.727 -0.743) 3.154 5.153 ( 1.863 -10.410 4.329) 11.427 5.349 ( 7.564 3.337 -1.552) 8.412 5.410 ( -10.625 -0.453 1.701) 10.770 5.567 ( 6.933 9.465 4.651) 12.620 5.877 ( 1.632 15.399 9.844) 18.350 6.111 ( 0.233 -5.520 5.964) 8.129 6.186 ( 15.900 6.604 12.090) 21.038 6.553 ( 2.789 6.318 17.628) 18.933 6.658 ( 2.727 6.961 11.192) 13.460 6.964 ( -3.866 -10.934 5.550) 12.857 7.200 ( -5.142 -7.451 6.607) 11.207 7.531 ( -7.829 -6.976 7.451) 12.864 7.822 ( -9.605 10.411 10.288) 17.507 8.072 ( -5.834 1.326 -10.914) 12.446 8.445 ( -6.823 4.186 -11.560) 14.062 8.510 ( 7.749 7.959 -5.781) 12.522 8.639 ( 1.218 -4.304 3.376) 5.604 8.908 ( -6.956 -2.600 5.679) 9.349 9.218 ( 1.293 -4.136 17.479) 18.008 9.442 ( -12.622 -3.929 2.088) 13.384 10.089 ( 5.168 -5.744 -4.042) 8.720 10.386 ( -1.060 -5.116 -22.365) 22.968 10.619 ( -0.243 9.901 -5.524) 11.340 10.678 ( 4.726 2.694 5.578) 7.792 11.353 ( 9.651 -8.791 -5.445) 14.145 11.493 ( 7.200 4.271 9.698) 12.812 11.542 ( -4.610 0.592 -5.651) 7.317 11.885 ( -2.656 0.228 -14.901) 15.137 12.132 ( 2.519 3.444 4.297) 6.055 12.573 ( 0.757 -0.480 9.217) 9.260 13.036 ( -4.674 -6.924 -14.020) 16.320 13.241 ( -9.542 -9.817 12.459) 18.511 13.846 ( 6.410 3.379 4.456) 8.507 15.292 ( 11.808 -1.344 -20.698) 23.867 15.506 ( 3.019 6.243 -18.523) 19.778 15.946 ( 11.689 -1.296 -14.187) 18.428 16.650 ( -10.333 5.190 -4.677) 12.473 17.137 ( 3.506 -0.661 4.040) 5.391 18.148 ( 5.074 -4.398 -2.253) 7.083 18.482 ( 2.794 10.441 -3.504) 11.362 18.720 ( 1.770 3.070 -8.414) 9.130 19.508 ( -9.453 -9.005 11.652) 17.499 19.577 ( 1.067 -2.684 5.268) 6.007 20.057 ( -0.928 14.959 0.201) 14.989 20.227 ( -3.706 -11.018 0.919) 11.661 20.725 ( 4.785 -10.483 2.411) 11.773 20.961 ( -3.515 -0.432 5.292) 6.367 21.232 ( -5.063 -4.696 4.025) 7.993 21.486 ( 3.255 1.333 0.785) 3.604 22.359 ( 5.044 5.356 -0.334) 7.365 22.396 ( -3.758 -0.777 0.884) 3.938 22.628 ( -1.393 -2.421 2.703) 3.887 23.425 ( 2.660 4.914 -12.058) 13.290 24.099 ( -2.127 -0.682 12.873) 13.065 24.467 ( -1.610 0.803 11.178) 11.322 24.635 ( -2.032 -1.558 1.744) 3.098 25.123 ( -2.108 -1.705 14.339) 14.593 25.229 ( 0.930 5.121 -2.616) 5.825 25.435 ( -5.287 -4.524 7.454) 10.197 26.880 ( -1.132 -0.608 4.192) 4.384 27.331 ( -10.533 -3.163 -9.037) 14.234 27.559 ( 17.577 -4.221 -1.673) 18.154 28.304 ( 0.431 8.317 -20.299) 21.941 ======================= Grid point 163 (85/144) ======================= q-point: (-0.14 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( 22.535 5.532 34.045) 41.200 2.878 ( -6.270 14.963 28.809) 33.063 3.547 ( -5.812 1.807 29.655) 30.273 3.738 ( -5.170 -14.388 5.992) 16.421 3.873 ( -8.665 -7.531 -3.161) 11.908 4.105 ( 3.878 -15.532 -9.191) 18.459 4.167 ( -9.369 -12.645 8.358) 17.820 4.436 ( -7.603 1.812 3.399) 8.523 4.804 ( 2.620 0.649 -6.050) 6.624 5.192 ( 0.887 2.774 -0.726) 3.002 5.302 ( -12.114 -3.731 -0.129) 12.677 5.470 ( 0.689 -4.753 -0.902) 4.887 5.599 ( 11.857 -1.624 5.958) 13.369 5.738 ( 2.924 9.637 19.037) 21.537 6.102 ( -12.851 4.750 12.012) 18.221 6.209 ( 1.835 4.732 -6.242) 8.045 6.504 ( 1.471 5.220 14.377) 15.366 6.702 ( 9.753 7.512 16.411) 20.515 6.969 ( 0.837 10.084 -0.376) 10.126 7.281 ( -7.422 -1.675 21.184) 22.509 7.612 ( 16.213 2.644 8.890) 18.679 7.718 ( 1.320 -0.374 12.608) 12.682 7.973 ( -10.874 -3.372 -9.745) 14.986 8.204 ( -5.491 9.609 -4.350) 11.892 8.311 ( 8.922 10.458 -21.063) 25.152 8.881 ( -5.835 -5.380 13.792) 15.913 8.959 ( -4.696 -19.450 -6.081) 20.912 9.256 ( -2.666 -0.523 4.188) 4.992 9.520 ( -1.855 -6.652 18.337) 19.594 10.001 ( -15.680 2.830 -17.572) 23.720 10.368 ( 1.006 0.338 -22.066) 22.091 10.498 ( 3.339 2.428 -2.458) 4.805 10.715 ( 6.110 -0.643 -1.518) 6.328 11.439 ( 1.804 5.584 -6.236) 8.563 11.505 ( -1.698 3.175 3.041) 4.713 11.566 ( 5.430 -4.887 0.576) 7.327 11.774 ( -6.155 3.052 -6.098) 9.185 12.220 ( 3.674 -7.946 1.806) 8.939 12.654 ( 2.061 -4.066 6.797) 8.184 13.087 ( -3.311 -10.294 -9.223) 14.212 13.361 ( -5.350 -9.101 13.313) 16.991 13.753 ( -4.293 10.871 0.738) 11.711 15.277 ( 2.126 13.209 -27.888) 30.931 15.412 ( 15.500 -1.242 -13.402) 20.528 16.155 ( 13.417 -8.372 -4.197) 16.362 16.488 ( -3.948 0.789 -7.362) 8.392 17.239 ( 11.137 -0.971 3.965) 11.861 18.050 ( -0.083 14.660 -5.812) 15.770 18.528 ( 5.182 -6.518 -1.559) 8.471 18.668 ( -0.381 -0.246 -11.740) 11.749 19.552 ( -9.947 -0.749 7.807) 12.667 19.617 ( -4.029 -3.556 10.373) 11.682 19.831 ( 0.241 10.126 -0.250) 10.132 20.349 ( -1.048 -5.429 4.998) 7.454 20.803 ( 0.172 2.037 -3.888) 4.392 21.069 ( -0.484 -12.983 -1.808) 13.117 21.322 ( -5.497 -9.179 6.490) 12.513 21.508 ( 0.105 -2.098 4.600) 5.057 22.302 ( -0.757 2.850 0.860) 3.072 22.417 ( 4.850 1.320 -1.095) 5.144 22.648 ( -1.181 -0.713 3.362) 3.634 23.331 ( 3.501 5.034 -10.624) 12.266 24.148 ( -0.100 -0.671 13.889) 13.905 24.458 ( -0.083 3.739 11.615) 12.202 24.682 ( -1.591 -6.672 1.841) 7.101 25.143 ( -0.204 4.308 -3.199) 5.369 25.226 ( 0.934 -3.897 13.449) 14.033 25.558 ( -8.187 -17.921 8.959) 21.644 26.888 ( -1.111 0.105 5.194) 5.313 27.199 ( -9.752 1.416 -8.469) 12.993 27.769 ( 14.711 3.519 -5.985) 16.267 27.994 ( -2.934 16.047 -18.843) 24.923 ======================= Grid point 166 (86/144) ======================= q-point: ( 0.29 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( -27.936 0.000 22.020) 35.571 3.199 ( 5.453 -0.000 19.663) 20.405 3.628 ( -9.245 0.000 10.928) 14.314 3.813 ( -4.947 0.000 -9.070) 10.331 3.856 ( -20.553 0.000 0.860) 20.571 3.956 ( 13.350 -0.000 30.316) 33.125 4.083 ( 1.261 -0.000 3.907) 4.106 4.668 ( -7.859 0.000 24.353) 25.590 4.856 ( 8.105 -0.000 -13.262) 15.543 4.983 ( 4.679 -0.000 0.533) 4.709 5.083 ( -7.311 0.000 -9.302) 11.831 5.341 ( -10.051 0.000 7.836) 12.744 5.705 ( -18.499 0.000 6.806) 19.711 5.930 ( 17.603 -0.000 8.637) 19.608 5.960 ( 5.107 -0.000 12.841) 13.819 6.022 ( -1.452 0.000 -7.498) 7.638 6.404 ( 0.633 -0.000 -2.641) 2.716 6.603 ( -3.626 0.000 17.931) 18.294 6.704 ( 4.683 -0.000 -12.561) 13.406 6.928 ( -26.551 0.000 4.127) 26.870 7.450 ( -8.935 0.000 -1.091) 9.001 7.752 ( 8.805 -0.000 12.696) 15.451 8.277 ( -10.122 0.000 9.415) 13.823 8.511 ( 1.102 -0.000 -5.976) 6.077 8.637 ( 6.507 -0.000 8.721) 10.881 8.925 ( 3.304 -0.000 -16.857) 17.177 9.076 ( 18.090 -0.000 -11.624) 21.502 9.239 ( -13.518 0.000 19.890) 24.049 9.380 ( -14.828 0.000 -5.339) 15.760 9.988 ( 34.405 -0.000 4.287) 34.671 10.225 ( -5.162 0.000 -23.767) 24.321 10.411 ( -7.926 0.000 0.236) 7.930 10.994 ( -5.971 0.000 20.035) 20.906 11.052 ( 18.706 -0.000 -3.041) 18.952 11.541 ( 5.080 -0.000 -2.771) 5.786 11.715 ( 1.226 -0.000 6.037) 6.160 12.065 ( 10.494 -0.000 3.384) 11.026 12.350 ( 4.252 -0.000 1.339) 4.457 12.752 ( -15.742 0.000 18.070) 23.965 12.816 ( -9.870 0.000 -16.603) 19.315 13.265 ( -12.217 0.000 2.551) 12.481 13.532 ( 5.578 -0.000 17.245) 18.125 14.767 ( 9.182 -0.000 -36.386) 37.527 16.068 ( -6.112 0.000 -12.816) 14.199 16.084 ( 17.072 -0.000 -22.848) 28.521 16.599 ( -20.960 0.000 -5.084) 21.568 17.446 ( 18.019 -0.000 -7.026) 19.340 17.722 ( -16.278 0.000 -5.125) 17.066 18.500 ( 16.612 -0.000 -4.271) 17.153 18.698 ( 3.075 -0.000 -18.438) 18.693 19.404 ( -3.471 0.000 6.796) 7.631 19.616 ( -1.178 0.000 -0.152) 1.187 19.914 ( 3.066 -0.000 20.234) 20.465 20.455 ( -1.465 0.000 14.134) 14.210 20.771 ( -9.252 0.000 -9.699) 13.404 21.123 ( -17.992 0.000 12.692) 22.018 21.203 ( 13.740 -0.000 3.470) 14.172 21.422 ( -5.190 0.000 4.773) 7.051 22.351 ( 0.550 -0.000 7.080) 7.101 22.470 ( 1.433 -0.000 -6.697) 6.848 22.625 ( -1.263 0.000 -0.831) 1.512 23.501 ( 7.849 -0.000 -12.710) 14.939 24.155 ( -8.730 0.000 10.110) 13.358 24.289 ( -5.716 0.000 0.953) 5.795 24.942 ( 1.352 -0.000 1.298) 1.875 25.365 ( 9.978 -0.000 2.398) 10.262 25.520 ( -1.810 0.000 14.642) 14.754 25.718 ( -6.999 0.000 -6.756) 9.728 26.756 ( -2.395 0.000 5.170) 5.698 26.882 ( -0.106 0.000 7.144) 7.145 26.943 ( -1.690 0.000 -3.176) 3.598 28.315 ( 8.433 -0.000 -13.807) 16.178 ======================= Grid point 167 (87/144) ======================= q-point: ( 0.43 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -16.801 6.795 26.227) 31.879 3.206 ( -19.019 8.937 12.181) 24.289 3.433 ( -0.574 -2.118 15.309) 15.465 3.685 ( -27.437 -5.593 15.190) 31.856 3.776 ( 0.235 1.020 -14.560) 14.597 4.012 ( -1.503 0.988 5.460) 5.749 4.421 ( 21.320 -7.267 15.356) 27.261 4.616 ( -9.623 2.814 20.572) 22.885 4.657 ( -4.707 18.490 -1.287) 19.123 5.045 ( 3.229 2.689 -2.029) 4.666 5.095 ( 4.922 -7.115 -0.588) 8.671 5.333 ( -4.875 -6.061 6.894) 10.394 5.617 ( -16.653 -11.836 3.172) 20.676 5.935 ( 3.904 5.053 -16.859) 18.028 6.042 ( 8.367 2.665 6.384) 10.857 6.136 ( 1.679 -3.779 3.741) 5.577 6.378 ( -0.135 -0.759 1.647) 1.818 6.671 ( -19.367 -16.276 -8.097) 26.562 6.714 ( -0.123 1.828 16.429) 16.531 6.838 ( 5.292 -6.453 -3.537) 9.064 7.354 ( -0.260 5.252 6.217) 8.143 7.970 ( 7.853 -5.266 12.997) 16.072 8.285 ( -3.979 -5.397 15.066) 16.490 8.410 ( -6.760 3.719 -6.672) 10.201 8.604 ( -5.777 6.629 16.314) 18.533 8.911 ( 2.414 4.303 -24.776) 25.263 8.963 ( -10.898 6.333 11.393) 16.990 9.270 ( 12.328 -3.449 -3.157) 13.185 9.374 ( -5.603 -2.810 5.080) 8.068 10.067 ( -2.997 3.601 -16.356) 17.014 10.242 ( 5.649 0.551 -11.258) 12.608 10.466 ( 17.727 -2.662 13.475) 22.426 10.938 ( -4.860 6.628 13.137) 15.496 11.211 ( 11.613 -0.901 -12.195) 16.864 11.535 ( 5.667 6.698 9.624) 13.023 11.785 ( 1.712 -0.776 3.274) 3.775 12.167 ( 8.882 2.347 0.955) 9.236 12.399 ( 2.819 4.469 -1.028) 5.383 12.526 ( -8.946 3.399 6.868) 11.779 12.796 ( -10.641 -9.317 -7.191) 15.867 13.112 ( -14.122 1.245 6.541) 15.613 13.676 ( 7.898 -1.854 15.890) 17.841 14.844 ( 9.782 -10.543 -34.879) 37.728 15.800 ( -2.876 12.836 -13.273) 18.687 16.121 ( 0.061 1.845 -25.709) 25.776 16.548 ( -11.245 -15.897 -8.951) 21.431 17.358 ( 3.835 14.277 1.570) 14.867 17.792 ( 4.897 -9.791 -5.466) 12.236 18.601 ( 6.053 -1.126 -14.171) 15.451 18.771 ( 5.385 -7.007 -10.608) 13.807 19.362 ( -3.514 1.617 5.939) 7.088 19.608 ( -1.288 -0.171 -0.902) 1.582 19.967 ( 1.551 5.496 19.956) 20.757 20.463 ( -0.793 3.074 14.174) 14.525 20.631 ( -5.087 3.267 -5.231) 7.995 20.970 ( -14.781 0.608 13.498) 20.026 21.357 ( -5.671 0.721 3.872) 6.905 21.386 ( 11.936 -0.995 1.798) 12.111 22.375 ( -1.144 -0.215 7.258) 7.350 22.477 ( 1.316 -1.485 -3.768) 4.259 22.598 ( 0.142 2.028 -2.282) 3.056 23.526 ( 5.118 0.374 -13.103) 14.073 24.091 ( -9.500 -0.968 8.632) 12.873 24.268 ( -3.454 -3.340 1.415) 5.009 24.889 ( 1.017 8.078 3.450) 8.842 25.350 ( -6.970 3.432 -1.101) 7.847 25.516 ( -1.890 2.919 11.733) 12.237 25.642 ( 10.901 10.621 1.325) 15.277 26.782 ( -2.229 -3.839 1.858) 4.813 26.976 ( 0.891 -7.120 1.489) 7.329 27.022 ( 0.421 -10.928 2.936) 11.323 28.353 ( 5.026 -1.604 -15.261) 16.148 ======================= Grid point 168 (88/144) ======================= q-point: (-0.43 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 1.066 5.003 33.231) 33.622 2.941 ( -15.276 1.800 15.172) 21.605 3.474 ( -13.906 1.759 12.408) 18.719 3.578 ( -14.892 -11.563 9.930) 21.309 3.711 ( 0.045 0.331 -10.701) 10.706 3.942 ( -9.758 1.533 -3.679) 10.541 4.284 ( -6.009 18.164 6.733) 20.282 4.515 ( -7.356 4.491 14.365) 16.752 4.783 ( 9.159 -9.174 12.367) 17.916 5.000 ( 2.529 5.742 0.158) 6.276 5.235 ( -3.322 -6.967 -7.973) 11.097 5.513 ( 10.248 -6.522 16.414) 20.420 5.646 ( -11.972 -9.000 0.086) 14.977 5.832 ( -1.852 1.761 -10.355) 10.665 6.114 ( 9.342 0.466 -0.655) 9.376 6.205 ( -4.121 -9.077 2.772) 10.347 6.493 ( 3.108 -7.223 -0.072) 7.863 6.683 ( -9.338 -6.912 10.554) 15.696 6.818 ( 6.638 -1.178 9.061) 11.294 6.960 ( -1.554 -7.109 -9.707) 12.131 7.347 ( 8.002 7.846 22.180) 24.850 8.037 ( -3.080 -0.143 -3.927) 4.992 8.232 ( -4.275 8.353 4.810) 10.544 8.414 ( 0.361 -5.976 -0.990) 6.068 8.600 ( -4.569 -0.524 23.450) 23.897 8.695 ( -9.749 6.108 11.646) 16.370 8.906 ( 3.016 -0.247 6.926) 7.558 9.270 ( -12.592 3.834 3.531) 13.628 9.415 ( 10.335 1.374 -16.172) 19.241 9.983 ( 3.192 -1.620 -15.353) 15.765 10.223 ( -0.151 -0.850 -9.882) 9.919 10.646 ( -6.558 3.691 7.985) 10.972 10.897 ( 16.999 2.839 8.022) 19.010 11.259 ( 4.587 -1.338 -13.180) 14.020 11.566 ( 7.087 6.751 12.928) 16.215 11.740 ( 0.650 5.566 -0.830) 5.664 12.111 ( 0.149 11.589 -1.049) 11.637 12.289 ( 2.228 4.478 -5.465) 7.408 12.521 ( -2.850 -2.364 5.841) 6.916 12.823 ( -4.601 -7.845 -12.714) 15.632 13.005 ( -12.371 -3.194 14.112) 19.037 13.855 ( 8.448 -2.263 10.174) 13.417 15.043 ( 8.953 -13.418 -29.686) 33.786 15.609 ( 3.555 5.096 -9.253) 11.145 15.978 ( -3.948 0.296 -22.235) 22.584 16.583 ( -13.738 -7.952 -16.660) 23.011 17.271 ( 9.367 7.632 9.261) 15.223 17.968 ( 8.658 -5.003 -5.426) 11.377 18.635 ( 1.738 -3.160 -15.810) 16.216 18.815 ( -2.464 0.440 -7.596) 7.998 19.371 ( -0.264 -1.940 7.352) 7.609 19.600 ( 0.489 -1.077 1.516) 1.922 19.925 ( -2.439 4.311 12.446) 13.396 20.414 ( -2.273 7.074 8.635) 11.391 20.574 ( 2.365 0.070 3.484) 4.212 20.880 ( -11.860 -2.045 14.085) 18.526 21.269 ( -5.094 2.560 0.843) 5.764 21.519 ( 7.800 0.330 0.421) 7.818 22.378 ( -2.955 -0.369 4.918) 5.749 22.521 ( 1.625 -2.305 -1.498) 3.193 22.555 ( 3.509 4.137 -1.089) 5.533 23.514 ( 2.636 1.030 -13.041) 13.345 24.045 ( -8.031 -2.184 8.111) 11.622 24.323 ( -1.318 -5.473 3.207) 6.479 24.784 ( 1.630 7.872 6.988) 10.652 25.202 ( -8.267 3.682 1.601) 9.191 25.461 ( -3.815 3.779 8.273) 9.863 25.548 ( 7.463 14.730 3.449) 16.869 26.832 ( -0.013 -2.729 1.800) 3.269 27.103 ( -4.567 -9.507 -3.017) 10.970 27.285 ( 10.918 -12.671 3.044) 17.001 28.364 ( 1.269 -1.744 -17.101) 17.236 ======================= Grid point 169 (89/144) ======================= q-point: (-0.29 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 15.179 1.307 34.386) 37.610 2.934 ( -7.690 -9.831 14.501) 19.133 3.346 ( -18.314 -1.979 27.058) 32.733 3.601 ( -19.023 -10.073 -3.341) 21.783 3.709 ( -1.546 -4.356 -10.657) 11.616 3.773 ( -3.943 1.627 -0.037) 4.266 4.053 ( 2.185 10.830 0.982) 11.092 4.421 ( -8.848 0.966 14.346) 16.883 4.888 ( -0.994 4.581 0.058) 4.688 5.044 ( 5.012 -7.020 -1.474) 8.750 5.242 ( -6.016 -3.187 2.813) 7.366 5.574 ( -0.627 7.432 -4.719) 8.826 5.644 ( 0.247 -0.707 5.550) 5.601 5.959 ( -4.780 -14.249 8.273) 17.156 6.162 ( 8.469 8.323 -0.589) 11.889 6.296 ( -4.875 -3.517 7.528) 9.634 6.624 ( -11.007 -13.171 9.216) 19.483 6.735 ( -2.834 -0.003 1.591) 3.250 6.875 ( 11.235 -0.138 6.801) 13.134 7.134 ( 5.741 -10.529 3.385) 12.461 7.385 ( 6.604 6.378 23.896) 25.599 7.989 ( 1.756 -0.328 -0.781) 1.950 8.122 ( -1.087 11.038 14.573) 18.314 8.384 ( -7.741 5.172 -4.607) 10.387 8.527 ( 5.259 1.471 -2.779) 6.127 8.673 ( -8.959 -3.200 18.406) 20.720 8.986 ( -3.312 8.196 13.127) 15.826 9.176 ( -1.012 -7.274 1.289) 7.457 9.338 ( 3.278 4.655 -9.326) 10.927 10.070 ( 4.530 -2.900 -12.386) 13.504 10.178 ( -3.390 -1.908 -16.948) 17.389 10.467 ( -14.335 -2.935 -2.123) 14.786 11.013 ( 9.714 13.007 3.015) 16.511 11.318 ( 3.577 -4.862 -7.304) 9.475 11.477 ( -0.887 3.550 4.278) 5.629 11.750 ( 7.799 3.101 4.436) 9.493 11.922 ( 2.264 10.990 -4.931) 12.257 12.222 ( 0.876 4.127 -2.322) 4.816 12.578 ( 1.545 -4.699 4.716) 6.834 12.802 ( -8.418 -4.530 -13.330) 16.403 13.065 ( -4.031 -7.831 16.332) 18.555 13.953 ( 3.157 1.832 0.747) 3.726 15.225 ( 7.644 -8.503 -24.235) 26.797 15.617 ( 9.535 2.435 -12.230) 15.698 15.954 ( 5.382 -6.185 -13.120) 15.471 16.417 ( -18.032 -2.515 -12.873) 22.298 17.325 ( 12.083 5.955 7.848) 15.590 18.116 ( 6.687 -4.414 -4.158) 9.027 18.566 ( -5.532 1.972 -13.699) 14.905 18.755 ( 0.722 1.396 -6.573) 6.758 19.395 ( -3.530 -0.462 8.959) 9.641 19.647 ( 3.523 5.432 13.275) 14.770 19.968 ( -2.415 -14.481 -3.169) 15.019 20.273 ( 0.125 11.413 5.698) 12.757 20.643 ( -0.756 -3.543 3.423) 4.984 20.882 ( -6.045 -5.552 13.390) 15.705 21.177 ( -4.492 2.271 0.744) 5.088 21.543 ( 1.964 2.746 -0.978) 3.514 22.350 ( -4.648 -0.039 2.257) 5.167 22.530 ( 8.885 5.117 -2.169) 10.480 22.591 ( 0.861 -2.544 2.274) 3.519 23.464 ( 1.485 2.347 -13.014) 13.307 24.048 ( -5.713 -4.071 9.785) 12.040 24.425 ( 0.256 -5.783 5.639) 8.082 24.718 ( 1.662 6.756 8.490) 10.977 25.082 ( -8.230 0.406 6.253) 10.344 25.381 ( -1.829 5.518 5.052) 7.702 25.405 ( 0.266 7.677 4.100) 8.707 26.875 ( 0.625 -1.118 3.052) 3.310 27.139 ( -7.232 -4.848 -3.553) 9.404 27.643 ( 17.847 -9.854 -1.552) 20.446 28.296 ( -3.387 2.071 -19.305) 19.709 ======================= Grid point 170 (90/144) ======================= q-point: (-0.14 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 6.079 -0.337 24.672) 25.413 3.033 ( -4.483 4.283 30.720) 31.339 3.392 ( -12.012 -17.042 10.942) 23.547 3.574 ( -5.114 -11.363 2.230) 12.659 3.705 ( -7.313 -0.156 -2.593) 7.761 3.871 ( 2.543 -10.368 3.176) 11.137 3.973 ( 3.977 -0.538 -3.258) 5.169 4.389 ( -6.441 -0.874 12.177) 13.803 4.796 ( -1.832 2.317 -6.383) 7.033 5.167 ( -5.144 -1.523 1.297) 5.519 5.230 ( 1.106 -2.577 4.179) 5.033 5.453 ( -0.163 3.760 -1.052) 3.908 5.665 ( -1.300 -0.555 4.550) 4.765 5.983 ( 0.116 6.966 2.295) 7.335 6.076 ( -6.105 6.530 12.473) 15.346 6.248 ( -7.204 3.820 5.152) 9.646 6.548 ( -12.367 0.870 9.721) 15.754 6.884 ( -0.549 -10.944 6.273) 12.626 7.058 ( -0.053 -3.806 8.209) 9.049 7.286 ( -2.531 -4.414 1.044) 5.194 7.504 ( 13.919 6.197 27.668) 31.586 7.947 ( -1.297 9.404 18.579) 20.863 8.115 ( 15.105 2.186 7.039) 16.807 8.211 ( -0.400 5.127 -5.710) 7.685 8.596 ( -1.249 -8.457 -6.575) 10.785 8.686 ( 7.450 6.858 -14.977) 18.079 8.780 ( -6.359 4.586 14.337) 16.341 9.218 ( -1.822 -2.189 -5.634) 6.313 9.477 ( 4.404 -7.545 19.435) 21.308 9.849 ( -16.816 7.808 -10.516) 21.315 10.186 ( -2.270 -7.727 -28.810) 29.915 10.506 ( 2.223 -4.080 -4.175) 6.247 10.808 ( -0.601 8.841 0.475) 8.874 11.343 ( -6.543 -1.717 -3.374) 7.560 11.556 ( 6.803 -3.392 -3.544) 8.387 11.719 ( -4.240 5.070 -12.211) 13.885 11.805 ( 10.423 10.155 8.995) 17.107 12.210 ( 1.536 -1.521 5.638) 6.038 12.684 ( 0.759 2.166 2.224) 3.196 12.806 ( -1.413 -15.241 -8.226) 17.377 13.222 ( -1.719 -7.685 16.185) 17.999 13.847 ( -6.041 8.419 -5.224) 11.605 15.304 ( 5.088 -1.300 -25.533) 26.067 15.592 ( 11.694 7.259 -16.241) 21.288 16.139 ( 2.931 -4.972 -0.987) 5.855 16.321 ( -1.113 -12.121 -10.905) 16.342 17.377 ( 9.239 5.220 3.598) 11.205 18.150 ( -2.772 1.757 -10.608) 11.104 18.520 ( 2.047 -6.240 -5.637) 8.654 18.692 ( 3.083 8.109 -3.370) 9.307 19.398 ( -7.755 -3.371 13.748) 16.141 19.608 ( -2.142 2.361 6.950) 7.646 20.069 ( 0.992 14.442 2.185) 14.640 20.239 ( 3.436 -11.722 1.145) 12.269 20.678 ( -6.659 -8.045 -3.250) 10.937 20.981 ( 2.366 -2.045 2.082) 3.757 21.146 ( -6.014 -6.009 10.602) 13.590 21.500 ( -2.378 1.536 1.694) 3.299 22.308 ( -2.516 0.576 1.098) 2.805 22.544 ( 7.512 4.320 -1.854) 8.862 22.635 ( 0.157 -1.170 0.971) 1.529 23.397 ( 3.228 3.048 -11.983) 12.779 24.112 ( -3.812 -5.566 12.044) 13.805 24.534 ( 0.018 -2.855 10.300) 10.688 24.646 ( -0.329 5.128 5.563) 7.573 25.074 ( -5.724 -6.262 5.451) 10.084 25.291 ( 1.512 5.050 4.238) 6.764 25.376 ( -3.270 -2.759 7.005) 8.208 26.902 ( 0.609 0.137 4.016) 4.064 27.088 ( -6.855 -0.446 -3.298) 7.620 27.943 ( 17.767 -2.323 -5.778) 18.827 28.069 ( -7.648 9.286 -19.704) 23.086 ======================= Grid point 175 (91/144) ======================= q-point: (-0.57 -0.57 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -5.975 0.000 31.014) 31.584 3.103 ( -26.418 0.000 9.346) 28.022 3.302 ( -23.444 0.000 34.106) 41.387 3.510 ( -3.368 0.000 5.930) 6.820 3.804 ( 5.959 -0.000 -6.266) 8.647 3.920 ( -14.462 0.000 0.118) 14.463 4.483 ( -22.163 0.000 14.987) 26.755 4.690 ( 12.690 -0.000 22.630) 25.945 4.749 ( -3.757 0.000 -6.639) 7.629 5.034 ( 4.877 -0.000 -10.215) 11.320 5.219 ( -17.033 0.000 19.282) 25.728 5.252 ( 14.822 -0.000 -6.430) 16.157 5.293 ( -4.806 0.000 0.187) 4.810 5.946 ( 4.788 -0.000 -24.996) 25.451 6.059 ( -15.218 0.000 -2.369) 15.401 6.069 ( -4.608 0.000 -4.593) 6.506 6.402 ( -1.167 0.000 -3.598) 3.783 6.453 ( 13.974 -0.000 11.080) 17.834 6.807 ( 0.580 -0.000 21.870) 21.878 6.910 ( 15.328 -0.000 -9.077) 17.814 7.437 ( 7.933 -0.000 7.930) 11.217 8.096 ( 3.564 -0.000 27.226) 27.458 8.249 ( 3.074 -0.000 -3.758) 4.855 8.266 ( -14.987 0.000 -10.355) 18.216 8.601 ( -14.981 0.000 24.774) 28.952 8.844 ( -3.788 0.000 -26.451) 26.721 8.990 ( 0.934 -0.000 4.022) 4.129 9.247 ( -1.878 0.000 21.185) 21.268 9.482 ( 11.928 -0.000 -10.734) 16.047 10.082 ( 4.558 -0.000 -8.560) 9.698 10.113 ( -13.075 0.000 -0.180) 13.077 10.771 ( 23.388 -0.000 8.780) 24.982 11.030 ( 0.605 -0.000 11.947) 11.962 11.158 ( -3.349 0.000 -18.971) 19.265 11.756 ( 8.040 -0.000 9.650) 12.560 11.804 ( 2.497 -0.000 7.986) 8.368 12.274 ( 7.082 -0.000 -5.344) 8.872 12.485 ( -0.232 0.000 1.823) 1.837 12.545 ( -12.710 0.000 18.379) 22.345 12.553 ( 5.850 -0.000 -11.923) 13.281 12.966 ( -16.420 0.000 5.164) 17.213 13.787 ( 5.280 -0.000 18.623) 19.357 14.756 ( 12.751 -0.000 -38.482) 40.539 15.806 ( -8.076 0.000 -15.926) 17.856 15.961 ( -15.260 0.000 -19.096) 24.444 16.326 ( 3.777 -0.000 -16.635) 17.058 17.508 ( -0.833 0.000 1.485) 1.703 17.780 ( 14.888 -0.000 -4.107) 15.444 18.635 ( -0.307 0.000 -11.629) 11.633 18.677 ( 6.896 -0.000 -19.547) 20.728 19.347 ( -4.624 0.000 4.972) 6.789 19.600 ( -0.360 0.000 -1.295) 1.344 20.108 ( 0.786 -0.000 22.989) 23.003 20.540 ( -0.188 0.000 14.655) 14.656 20.600 ( -2.121 0.000 -0.211) 2.132 20.855 ( -14.198 0.000 13.980) 19.925 21.306 ( -6.432 0.000 2.010) 6.738 21.518 ( 11.483 -0.000 1.786) 11.621 22.361 ( -5.107 0.000 8.598) 10.000 22.484 ( 3.977 -0.000 -4.090) 5.704 22.624 ( 2.667 -0.000 -1.625) 3.123 23.527 ( 2.962 -0.000 -14.210) 14.515 23.997 ( -10.249 0.000 7.842) 12.905 24.231 ( 0.580 -0.000 0.807) 0.994 24.979 ( 0.930 -0.000 1.944) 2.155 25.251 ( -11.909 0.000 -4.466) 12.719 25.529 ( -5.702 0.000 12.084) 13.362 25.940 ( 20.331 -0.000 1.055) 20.358 26.723 ( -2.391 0.000 3.428) 4.179 26.927 ( 1.457 -0.000 -1.712) 2.248 26.966 ( 1.274 -0.000 9.879) 9.961 28.321 ( 1.360 -0.000 -16.178) 16.235 ======================= Grid point 176 (92/144) ======================= q-point: (-0.43 -0.57 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( 6.054 1.695 33.505) 34.090 2.810 ( -23.422 1.351 14.674) 27.672 3.251 ( -21.565 -5.482 38.361) 44.347 3.442 ( -9.217 3.099 -6.913) 11.931 3.681 ( -19.137 -2.306 -3.138) 19.529 3.842 ( 2.947 4.393 1.726) 5.564 4.336 ( -13.552 0.569 15.626) 20.692 4.608 ( -0.532 6.301 -3.082) 7.034 4.821 ( 1.380 -1.342 10.927) 11.095 5.025 ( -10.208 -6.335 -6.363) 13.595 5.175 ( 5.416 7.245 -4.131) 9.944 5.251 ( -8.237 -11.396 19.693) 24.197 5.544 ( 3.903 -10.510 -0.656) 11.230 5.811 ( -3.845 5.920 -13.418) 15.162 5.994 ( -1.126 -8.116 -2.872) 8.682 6.122 ( 2.944 -8.469 -4.771) 10.157 6.334 ( -10.222 -1.791 -3.199) 10.859 6.750 ( 19.221 -2.131 13.059) 23.335 6.913 ( 8.001 -0.792 8.114) 11.423 6.991 ( 11.507 4.063 -9.064) 15.202 7.558 ( 4.026 1.937 13.723) 14.432 8.032 ( -4.571 4.218 -9.940) 11.725 8.165 ( -8.159 -6.973 6.371) 12.481 8.363 ( 3.181 -3.329 3.338) 5.687 8.579 ( -6.721 -1.437 24.670) 25.609 8.749 ( 0.809 2.181 2.822) 3.657 8.971 ( 1.180 2.863 2.035) 3.705 9.246 ( -7.984 4.300 12.315) 15.294 9.534 ( 9.071 4.036 -12.905) 16.283 9.953 ( -2.745 0.353 -3.052) 4.120 10.158 ( 0.150 -2.576 -1.248) 2.866 10.746 ( -8.156 14.947 2.170) 17.165 11.123 ( 4.057 -5.107 -7.092) 9.635 11.188 ( 12.881 -1.497 4.036) 13.582 11.759 ( -1.307 6.337 0.354) 6.480 11.842 ( 3.932 2.373 8.082) 9.296 12.281 ( 0.959 4.561 -3.196) 5.651 12.345 ( -1.250 7.236 -5.244) 9.023 12.510 ( 0.077 2.412 5.508) 6.013 12.678 ( 0.202 -3.140 -2.761) 4.186 12.871 ( -6.927 -5.756 13.194) 15.975 13.920 ( 3.272 -2.428 15.034) 15.576 14.860 ( 12.975 -9.780 -34.032) 37.712 15.646 ( -2.773 1.698 -9.118) 9.681 15.761 ( -13.908 -3.893 -18.042) 23.111 16.337 ( -1.704 -3.941 -22.303) 22.713 17.497 ( 9.266 5.354 4.353) 11.553 17.984 ( 12.470 -5.584 -5.419) 14.698 18.534 ( -6.116 -0.795 -15.106) 16.317 18.726 ( 1.172 -2.581 -16.016) 16.265 19.340 ( -1.031 -3.330 3.922) 5.247 19.578 ( -0.262 0.963 -1.815) 2.071 20.119 ( -0.702 8.646 23.053) 24.631 20.533 ( -1.428 4.915 10.916) 12.057 20.609 ( 1.653 0.003 5.721) 5.955 20.773 ( -10.354 -1.163 15.719) 18.859 21.232 ( -6.413 0.579 0.353) 6.448 21.625 ( 8.034 1.524 -0.032) 8.177 22.330 ( -6.241 -0.870 6.369) 8.959 22.530 ( 5.292 -0.514 -2.841) 6.028 22.648 ( 4.399 1.367 -0.416) 4.625 23.498 ( 1.272 0.409 -14.651) 14.711 23.933 ( -8.746 -2.480 7.006) 11.478 24.277 ( 2.656 -2.544 2.264) 4.319 24.933 ( 0.354 6.177 4.304) 7.537 25.118 ( -10.111 -0.501 -2.809) 10.506 25.475 ( -7.033 2.194 9.164) 11.759 25.964 ( 12.589 20.553 3.387) 24.339 26.784 ( 1.072 -5.221 2.633) 5.944 26.972 ( 1.027 -3.377 -0.850) 3.631 27.163 ( 6.856 -16.317 6.342) 18.801 28.274 ( -2.045 -1.395 -16.926) 17.106 ======================= Grid point 177 (93/144) ======================= q-point: (-0.29 -0.57 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -6.512 -0.364 21.438) 22.408 2.700 ( -6.166 -11.619 11.835) 17.694 3.212 ( -16.158 -3.591 16.787) 23.575 3.259 ( -15.231 -2.508 24.968) 29.355 3.619 ( -3.525 -4.147 -1.845) 5.747 3.787 ( 2.178 5.566 3.164) 6.763 4.262 ( 2.417 6.462 10.972) 12.961 4.457 ( -3.777 8.441 1.984) 9.458 4.869 ( -4.178 -0.448 -3.716) 5.610 5.084 ( -0.696 -8.900 -3.998) 9.782 5.133 ( 0.472 0.510 9.941) 9.965 5.429 ( -11.425 -16.445 14.338) 24.628 5.600 ( -6.270 -1.365 -9.329) 11.323 5.725 ( -1.139 -3.214 7.359) 8.111 6.145 ( -3.268 -10.219 3.426) 11.263 6.235 ( -19.800 -7.443 4.642) 21.656 6.323 ( 11.173 -1.806 -7.402) 13.524 6.809 ( -1.644 11.642 -9.594) 15.175 6.936 ( 4.766 -5.618 0.094) 7.368 7.245 ( 23.240 -2.125 12.199) 26.333 7.579 ( -0.154 -1.183 12.927) 12.982 7.992 ( 8.820 -0.289 -5.191) 10.239 8.202 ( -6.976 -1.994 6.773) 9.925 8.442 ( 1.286 0.009 1.207) 1.763 8.620 ( -12.821 5.726 24.263) 28.033 8.679 ( 10.577 2.215 9.136) 14.150 9.006 ( -7.637 6.597 -6.189) 11.838 9.135 ( 4.498 -5.224 24.207) 25.170 9.446 ( 2.451 5.813 -19.075) 20.091 10.023 ( 8.803 -2.031 -13.151) 15.955 10.169 ( -2.219 -2.086 0.860) 3.164 10.336 ( -16.360 15.252 0.324) 22.369 11.179 ( -5.271 -4.111 -2.822) 7.256 11.317 ( 8.958 7.748 -0.992) 11.886 11.600 ( 1.778 7.132 -2.722) 7.838 11.864 ( 2.841 3.716 4.091) 6.214 12.123 ( -1.458 10.445 6.809) 12.553 12.278 ( 2.938 2.477 -9.567) 10.310 12.440 ( -9.749 -3.365 -4.257) 11.158 12.708 ( 3.455 -1.699 -2.800) 4.761 13.034 ( 5.644 -4.733 17.617) 19.095 13.984 ( -1.641 0.765 2.771) 3.310 15.075 ( 9.960 -11.097 -24.478) 28.662 15.619 ( -1.151 -4.726 -18.068) 18.712 15.775 ( 2.720 -13.074 -1.191) 13.407 16.222 ( -7.663 2.129 -20.964) 22.422 17.574 ( 13.239 4.336 5.444) 14.957 18.158 ( 11.283 -1.251 -5.699) 12.702 18.394 ( -15.306 -1.918 -13.823) 20.713 18.695 ( -0.595 -2.455 -13.420) 13.656 19.422 ( 1.774 0.252 3.737) 4.144 19.649 ( 3.842 -13.177 -3.184) 14.090 19.979 ( -2.484 15.102 20.115) 25.275 20.455 ( -0.978 7.085 9.730) 12.076 20.611 ( -4.673 1.799 7.480) 9.001 20.805 ( -0.454 -4.168 15.123) 15.693 21.155 ( -5.280 0.822 -0.176) 5.346 21.626 ( 2.494 5.111 -2.265) 6.121 22.298 ( -4.898 -0.994 3.402) 6.046 22.586 ( 2.829 -0.966 0.133) 2.992 22.674 ( 6.467 2.555 -2.162) 7.282 23.450 ( 0.600 0.438 -14.271) 14.290 23.937 ( -5.803 -4.859 7.644) 10.757 24.376 ( 2.445 -4.362 4.651) 6.829 24.864 ( 0.123 5.154 6.787) 8.522 25.011 ( -7.855 1.123 2.147) 8.221 25.379 ( -7.003 2.556 5.771) 9.428 25.705 ( 2.808 20.792 5.964) 21.812 26.871 ( 1.440 -2.545 2.978) 4.174 27.024 ( -0.533 -2.525 -0.141) 2.585 27.605 ( 15.906 -18.267 -1.663) 24.279 28.193 ( -5.363 -0.399 -17.565) 18.370 ======================= Grid point 178 (94/144) ======================= q-point: (-0.14 -0.57 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -31.405 -8.544 6.951) 33.281 3.073 ( -0.012 -19.762 13.710) 24.052 3.221 ( -5.604 -5.668 18.520) 20.162 3.303 ( 9.602 1.862 17.923) 20.418 3.670 ( -1.203 -3.305 5.281) 6.345 3.833 ( 5.682 -4.742 11.598) 13.758 4.145 ( 4.543 13.595 -4.853) 15.133 4.395 ( 0.924 1.268 13.622) 13.713 4.776 ( -5.617 2.024 -8.537) 10.418 5.135 ( 5.789 -3.247 -9.112) 11.273 5.187 ( -8.558 0.161 16.977) 19.013 5.492 ( 0.581 1.199 0.094) 1.335 5.626 ( -7.562 -7.470 5.797) 12.108 5.862 ( -6.372 -12.180 12.631) 18.669 6.110 ( -23.322 0.406 21.888) 31.987 6.290 ( 3.446 -3.809 -3.909) 6.455 6.347 ( -6.193 -11.019 1.986) 12.795 6.519 ( -9.499 7.155 -9.880) 15.461 7.132 ( 4.613 -1.768 7.154) 8.694 7.412 ( 6.110 5.013 0.921) 7.957 7.773 ( 15.940 -5.687 5.813) 17.895 8.050 ( -4.758 0.756 21.321) 21.859 8.252 ( -11.909 15.557 19.178) 27.416 8.324 ( 12.966 -9.494 -12.670) 20.464 8.466 ( -4.860 2.112 1.685) 5.560 8.741 ( 4.802 4.921 17.321) 18.636 8.960 ( 0.190 0.447 -10.629) 10.640 9.192 ( 0.188 5.956 -5.729) 8.267 9.511 ( 13.955 -7.487 9.107) 18.268 9.779 ( -14.925 12.628 -7.149) 20.817 10.057 ( -1.279 3.828 -7.929) 8.897 10.400 ( 7.348 -13.048 -3.666) 15.416 10.966 ( -8.766 15.006 0.583) 17.388 11.255 ( -2.314 0.579 -5.616) 6.101 11.589 ( 3.684 1.797 -7.713) 8.734 11.765 ( -0.775 8.325 -8.957) 12.253 12.022 ( 0.155 3.825 9.488) 10.231 12.219 ( -3.740 2.472 3.918) 5.954 12.476 ( -3.707 -11.667 -9.484) 15.486 12.806 ( 11.244 -1.366 0.840) 11.357 13.224 ( 6.426 -2.642 18.087) 19.376 13.859 ( -9.036 6.512 -6.034) 12.667 15.215 ( 5.284 -6.105 -22.380) 23.792 15.684 ( 7.378 -4.558 -21.234) 22.936 16.006 ( -9.797 1.213 -14.862) 17.842 16.144 ( 12.999 -17.341 5.486) 22.356 17.621 ( 8.867 9.444 3.522) 13.424 18.087 ( -8.983 4.287 -14.820) 17.852 18.377 ( 2.066 -9.429 -1.761) 9.812 18.722 ( 0.602 -4.971 -10.311) 11.463 19.407 ( 0.239 3.554 6.237) 7.182 19.748 ( -5.386 13.494 13.408) 19.770 20.008 ( 8.859 -19.598 -2.348) 21.635 20.340 ( 1.041 12.114 7.209) 14.135 20.520 ( -10.039 0.738 5.457) 11.450 20.962 ( 4.213 -5.963 11.906) 13.967 21.093 ( -3.772 0.758 1.798) 4.247 21.528 ( -2.183 5.272 -1.172) 5.825 22.282 ( -2.125 -0.995 1.442) 2.754 22.612 ( -1.501 -0.515 3.403) 3.755 22.678 ( 4.995 3.805 -6.469) 9.015 23.414 ( 2.850 0.067 -13.053) 13.361 24.007 ( -3.556 -6.296 10.350) 12.626 24.487 ( -0.545 -4.885 7.668) 9.108 24.783 ( -2.219 7.449 6.604) 10.199 24.955 ( -4.152 -2.213 6.488) 8.014 25.308 ( -4.606 -0.145 4.248) 6.268 25.474 ( 0.158 11.230 6.042) 12.753 26.916 ( -0.501 -0.931 2.934) 3.118 27.044 ( 1.523 0.393 0.663) 1.707 27.980 ( 2.447 -5.434 -14.324) 15.515 28.058 ( 6.066 -0.399 -11.085) 12.642 ======================= Grid point 183 (95/144) ======================= q-point: (-0.43 -0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -3.944 0.000 23.498) 23.827 2.580 ( -26.791 0.000 21.091) 34.097 3.160 ( -17.785 0.000 32.044) 36.649 3.234 ( -23.832 0.000 13.837) 27.557 3.478 ( 1.567 -0.000 -0.657) 1.699 4.064 ( 13.370 -0.000 14.033) 19.382 4.225 ( -6.477 0.000 8.608) 10.773 4.642 ( -19.761 0.000 23.206) 30.480 4.670 ( 0.192 -0.000 -8.859) 8.861 5.004 ( -2.101 0.000 -16.811) 16.942 5.037 ( -9.526 0.000 11.034) 14.577 5.382 ( 1.001 -0.000 9.026) 9.081 5.419 ( 7.106 -0.000 -9.708) 12.031 5.847 ( 0.219 -0.000 -2.768) 2.777 5.942 ( 4.521 -0.000 -8.596) 9.713 6.010 ( -1.415 0.000 1.400) 1.990 6.166 ( -11.834 0.000 -5.480) 13.041 6.868 ( -0.850 0.000 13.798) 13.824 7.105 ( 10.852 -0.000 -28.747) 30.727 7.208 ( 27.990 -0.000 19.135) 33.905 7.564 ( -8.690 0.000 1.626) 8.841 7.962 ( -9.893 0.000 -5.126) 11.142 8.044 ( 8.434 -0.000 -8.321) 11.848 8.382 ( -4.267 0.000 18.333) 18.823 8.665 ( 2.236 -0.000 33.760) 33.834 8.809 ( 13.868 -0.000 -8.172) 16.097 9.000 ( -1.989 0.000 -1.965) 2.796 9.190 ( -14.479 0.000 4.999) 15.318 9.696 ( 13.641 -0.000 -4.505) 14.365 9.826 ( -14.121 0.000 8.290) 16.374 10.184 ( 1.653 -0.000 2.949) 3.381 10.875 ( -8.759 0.000 -15.152) 17.502 10.909 ( -4.849 0.000 7.325) 8.784 11.407 ( 16.040 -0.000 4.055) 16.544 11.751 ( -5.038 0.000 -5.573) 7.512 11.929 ( 2.921 -0.000 11.678) 12.038 12.234 ( -3.130 0.000 -19.845) 20.091 12.500 ( 7.343 -0.000 -13.754) 15.591 12.511 ( -1.502 0.000 19.808) 19.865 12.649 ( -13.313 0.000 5.826) 14.532 12.865 ( 13.234 -0.000 14.416) 19.570 13.970 ( -1.661 0.000 19.835) 19.904 14.816 ( 15.893 -0.000 -37.225) 40.476 15.521 ( -11.871 0.000 -13.051) 17.643 15.568 ( -4.304 0.000 -5.910) 7.312 16.224 ( -0.085 0.000 -27.370) 27.370 17.681 ( 13.440 -0.000 1.307) 13.504 18.046 ( 12.027 -0.000 -5.608) 13.271 18.336 ( -16.843 0.000 -14.947) 22.519 18.705 ( 6.253 -0.000 -19.592) 20.566 19.299 ( -2.105 0.000 3.995) 4.515 19.596 ( 1.468 -0.000 -0.038) 1.468 20.262 ( -1.860 0.000 23.282) 23.356 20.547 ( -8.201 0.000 9.827) 12.800 20.676 ( 5.267 -0.000 9.326) 10.711 20.757 ( -2.205 0.000 17.946) 18.081 21.155 ( -7.481 0.000 -0.988) 7.546 21.722 ( 6.326 -0.000 -1.332) 6.464 22.274 ( -5.793 0.000 5.574) 8.039 22.586 ( 6.715 -0.000 -4.170) 7.905 22.696 ( 2.742 -0.000 1.537) 3.143 23.459 ( 0.502 -0.000 -16.342) 16.350 23.842 ( -7.311 0.000 6.925) 10.071 24.303 ( 3.425 -0.000 3.120) 4.633 24.972 ( -9.453 0.000 -3.772) 10.177 25.015 ( 0.581 -0.000 4.291) 4.330 25.435 ( -8.747 0.000 8.354) 12.096 26.418 ( 21.356 -0.000 -1.412) 21.403 26.703 ( -1.405 0.000 2.716) 3.057 26.983 ( 4.746 -0.000 -1.413) 4.952 27.049 ( -0.633 0.000 11.764) 11.781 28.168 ( -4.551 0.000 -16.522) 17.138 ======================= Grid point 184 (96/144) ======================= q-point: (-0.29 -0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -42.625 0.118 -2.554) 42.701 2.483 ( -16.702 -11.249 21.204) 29.242 3.156 ( -4.741 -1.769 48.362) 48.626 3.341 ( 13.769 -0.796 26.444) 29.824 3.557 ( 3.439 -3.235 8.976) 10.142 4.017 ( 4.463 14.494 5.739) 16.215 4.377 ( 5.920 -3.870 22.358) 23.450 4.569 ( -0.355 8.368 -7.132) 11.001 4.688 ( -13.393 -18.798 17.952) 29.241 4.826 ( -5.084 2.755 -7.089) 9.149 5.031 ( -11.458 -7.044 -7.239) 15.274 5.364 ( 4.536 3.853 10.109) 11.731 5.574 ( 0.459 -5.191 2.609) 5.827 5.719 ( -2.346 7.059 -8.521) 11.311 5.905 ( -7.560 -2.902 -14.512) 16.619 6.036 ( -6.709 -6.734 19.176) 21.403 6.312 ( 10.646 -12.793 -3.153) 16.939 6.871 ( -3.920 -2.512 2.828) 5.447 6.920 ( -5.903 12.889 -26.366) 29.936 7.428 ( -5.899 0.069 6.210) 8.565 7.593 ( 15.133 -4.984 9.625) 18.614 8.032 ( 6.593 -9.629 -5.650) 12.965 8.134 ( 11.475 1.127 -4.925) 12.538 8.399 ( -6.279 -2.283 17.517) 18.747 8.715 ( -5.482 7.908 13.686) 16.730 8.851 ( 2.819 6.892 4.024) 8.464 8.983 ( -7.571 0.937 -6.049) 9.736 9.148 ( 9.368 -9.759 9.387) 16.466 9.557 ( -3.617 12.196 5.329) 13.792 9.970 ( 6.268 -11.137 -0.779) 12.804 10.152 ( -4.391 3.125 1.683) 5.646 10.515 ( -8.776 19.826 -2.289) 21.802 10.998 ( -6.611 -8.317 -0.879) 10.661 11.516 ( 5.942 5.109 0.967) 7.896 11.666 ( 0.046 2.525 -7.702) 8.106 11.956 ( -1.727 3.699 6.390) 7.583 12.160 ( -4.323 -6.630 -16.430) 18.238 12.329 ( -0.896 15.671 3.536) 16.090 12.436 ( -4.173 9.025 3.060) 10.403 12.729 ( 9.799 -5.224 0.610) 11.121 13.112 ( 10.444 -5.510 15.804) 19.729 13.979 ( -6.536 1.489 12.193) 13.914 14.950 ( 13.414 -8.528 -28.704) 32.811 15.408 ( -4.501 -4.374 -15.630) 16.843 15.644 ( 4.934 -10.892 4.411) 12.745 16.112 ( -2.487 0.979 -28.093) 28.220 17.792 ( 9.666 2.876 2.059) 10.293 18.099 ( -15.413 -2.183 -12.694) 20.087 18.231 ( 11.226 -5.761 -8.820) 15.395 18.650 ( 0.581 4.163 -16.942) 17.456 19.372 ( 1.774 -8.779 2.078) 9.194 19.604 ( 3.350 2.079 0.943) 4.054 20.213 ( -6.229 8.633 17.470) 20.458 20.492 ( -6.133 1.523 13.179) 14.615 20.719 ( 2.820 6.499 13.141) 14.929 20.841 ( 5.208 -1.959 14.866) 15.873 21.078 ( -7.081 -1.414 -1.247) 7.328 21.727 ( 2.140 4.651 -3.739) 6.340 22.244 ( -3.754 -0.902 3.848) 5.451 22.623 ( 3.440 1.415 -2.328) 4.388 22.734 ( 2.562 -0.549 -0.572) 2.682 23.402 ( -0.234 -0.151 -16.023) 16.026 23.835 ( -3.814 -3.746 7.535) 9.239 24.362 ( 1.108 -2.200 5.276) 5.823 24.870 ( -5.350 0.665 -1.876) 5.708 25.024 ( 0.438 1.972 6.801) 7.094 25.345 ( -8.930 1.571 5.742) 10.733 26.175 ( 3.565 31.062 4.419) 31.577 26.848 ( 1.731 -3.638 3.677) 5.455 27.042 ( 6.710 -0.202 -0.888) 6.772 27.381 ( 9.560 -26.835 0.238) 28.489 28.061 ( -6.101 -0.809 -15.780) 16.938 ======================= Grid point 185 (97/144) ======================= q-point: (-0.14 -0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -35.802 -9.090 5.823) 37.394 2.726 ( -5.124 -23.402 18.116) 30.035 3.240 ( -6.007 3.554 39.304) 39.919 3.632 ( 19.422 4.129 13.691) 24.118 3.685 ( 8.095 -0.442 16.859) 18.707 3.905 ( 4.317 3.241 6.815) 8.694 4.356 ( -1.755 11.644 -5.775) 13.115 4.576 ( 14.145 3.550 16.902) 22.324 4.697 ( -6.083 -0.980 1.791) 6.416 4.986 ( -3.391 -8.551 -13.213) 16.100 5.121 ( -8.700 -29.384 20.559) 36.903 5.283 ( -9.870 7.897 5.608) 13.829 5.544 ( 0.607 0.598 0.150) 0.865 5.687 ( -5.527 -5.830 6.577) 10.382 5.929 ( -9.509 -3.374 22.408) 24.575 6.131 ( -0.383 -8.042 3.100) 8.628 6.407 ( -0.044 13.195 -20.082) 24.030 6.577 ( -4.041 5.535 -4.478) 8.186 7.040 ( 4.395 -16.925 -0.791) 17.504 7.397 ( -7.399 -4.615 0.291) 8.726 7.860 ( 5.857 -6.602 5.284) 10.287 8.056 ( -6.745 3.459 6.661) 10.091 8.296 ( 5.387 -0.868 2.745) 6.109 8.363 ( -13.941 11.909 2.094) 18.454 8.469 ( 5.803 -3.297 -3.794) 7.678 8.865 ( -0.337 2.035 -4.680) 5.115 8.899 ( -0.568 -0.793 4.128) 4.242 9.280 ( -6.111 9.241 14.928) 18.589 9.598 ( 21.780 -9.222 2.163) 23.751 9.954 ( -5.549 15.497 -6.386) 17.656 10.138 ( -6.335 12.273 12.722) 18.778 10.259 ( 9.444 -13.514 -4.297) 17.038 10.975 ( -11.042 0.063 0.981) 11.085 11.370 ( 2.738 13.329 -4.930) 14.473 11.610 ( -0.977 3.289 -14.936) 15.325 11.867 ( -0.322 4.675 -5.421) 7.166 12.039 ( -11.972 4.402 7.744) 14.922 12.184 ( -2.861 3.636 -8.967) 10.091 12.375 ( 5.176 -1.586 7.440) 9.201 12.915 ( 13.494 -1.957 -1.717) 13.743 13.345 ( 8.897 -2.833 16.208) 18.705 13.838 ( -10.890 6.538 0.753) 12.724 15.100 ( 5.987 -6.286 -19.442) 21.292 15.503 ( 5.724 -12.855 -20.172) 24.595 15.947 ( -2.108 4.694 -23.960) 24.507 16.023 ( 13.109 -18.313 10.106) 24.685 17.753 ( -16.483 -0.173 -3.500) 16.851 17.991 ( 5.255 2.722 -7.153) 9.284 18.383 ( 10.803 2.110 -4.734) 11.982 18.566 ( -2.004 -6.165 -13.011) 14.536 19.512 ( 3.844 2.185 2.970) 5.326 19.703 ( 2.425 -12.229 -1.513) 12.559 20.018 ( -6.479 9.540 11.136) 16.031 20.442 ( -5.161 2.467 12.736) 13.961 20.633 ( 2.288 12.527 11.117) 16.904 21.005 ( 8.407 -2.827 11.837) 14.791 21.039 ( -5.055 -1.958 1.193) 5.551 21.605 ( -2.119 7.752 -4.306) 9.117 22.246 ( -1.271 -1.578 2.038) 2.874 22.604 ( -1.939 1.473 -0.250) 2.448 22.735 ( 0.077 1.871 -3.750) 4.192 23.375 ( 1.775 -2.351 -13.645) 13.959 23.919 ( -0.848 -5.641 9.907) 11.432 24.426 ( -2.732 -3.727 8.217) 9.427 24.808 ( -3.416 1.253 -0.505) 3.673 25.007 ( 0.337 4.428 10.689) 11.574 25.260 ( -5.688 -0.466 3.219) 6.553 25.744 ( -3.367 22.614 7.832) 24.168 26.893 ( -1.557 -1.149 4.526) 4.922 27.127 ( 9.852 0.951 -0.290) 9.902 27.805 ( -2.330 -10.109 -14.925) 18.177 28.024 ( 7.596 -9.421 -10.912) 16.295 ======================= Grid point 191 (98/144) ======================= q-point: (-0.29 -0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -43.942 0.000 1.631) 43.972 2.263 ( -17.717 0.000 33.400) 37.808 3.300 ( -2.631 0.000 59.358) 59.416 3.639 ( 24.141 -0.000 20.373) 31.589 3.645 ( 7.260 -0.000 18.647) 20.011 4.254 ( 1.863 -0.000 18.915) 19.007 4.458 ( 7.722 -0.000 -8.302) 11.339 4.477 ( -9.280 0.000 27.758) 29.268 4.689 ( 13.038 -0.000 7.709) 15.147 4.767 ( -6.452 0.000 -10.563) 12.378 4.813 ( -11.674 0.000 2.918) 12.033 5.439 ( -0.397 0.000 5.246) 5.261 5.560 ( 3.252 -0.000 -7.204) 7.904 5.592 ( -11.587 0.000 -14.461) 18.531 5.933 ( 6.197 -0.000 2.293) 6.608 6.003 ( 0.614 -0.000 6.945) 6.972 6.257 ( 6.816 -0.000 6.044) 9.110 6.773 ( -10.140 0.000 0.791) 10.171 6.842 ( -9.877 0.000 -30.446) 32.008 7.441 ( -2.428 0.000 -7.881) 8.246 7.483 ( -7.739 0.000 4.100) 8.758 8.102 ( -1.181 0.000 17.132) 17.173 8.264 ( 15.601 -0.000 -14.293) 21.158 8.425 ( 3.233 -0.000 11.940) 12.370 8.643 ( -14.200 0.000 -5.303) 15.158 8.891 ( -5.555 0.000 -4.189) 6.957 8.997 ( 0.775 -0.000 22.946) 22.959 9.249 ( 23.178 -0.000 -2.548) 23.318 9.631 ( -9.278 0.000 13.654) 16.508 9.930 ( 4.607 -0.000 -2.173) 5.094 10.112 ( -6.463 0.000 4.630) 7.950 10.646 ( -3.042 0.000 -9.089) 9.584 10.801 ( -9.968 0.000 5.727) 11.497 11.605 ( 0.844 -0.000 5.432) 5.497 11.666 ( 2.464 -0.000 -11.441) 11.703 11.914 ( -10.357 0.000 -21.921) 24.244 11.997 ( -7.523 0.000 9.913) 12.444 12.513 ( 0.744 -0.000 13.568) 13.589 12.538 ( 5.666 -0.000 -17.875) 18.752 12.820 ( 15.654 -0.000 9.759) 18.447 13.188 ( 6.396 -0.000 11.666) 13.304 13.955 ( -11.539 0.000 19.706) 22.836 14.930 ( 13.839 -0.000 -30.213) 33.232 15.326 ( 2.847 -0.000 -13.566) 13.861 15.636 ( 10.760 -0.000 9.533) 14.376 16.011 ( 0.833 -0.000 -29.335) 29.347 17.645 ( -26.366 0.000 -6.037) 27.049 18.156 ( 18.801 -0.000 -6.923) 20.035 18.210 ( 5.635 -0.000 -9.122) 10.722 18.668 ( 3.248 -0.000 -17.796) 18.090 19.304 ( -0.240 0.000 3.970) 3.977 19.685 ( 4.935 -0.000 2.963) 5.756 20.205 ( -12.700 0.000 9.970) 16.146 20.521 ( -3.285 0.000 16.559) 16.882 20.906 ( 4.809 -0.000 13.393) 14.230 20.931 ( 7.346 -0.000 18.324) 19.742 20.968 ( -5.245 0.000 -2.650) 5.876 21.765 ( -0.167 0.000 -6.188) 6.190 22.218 ( -1.735 0.000 3.401) 3.818 22.665 ( 2.299 -0.000 -6.612) 7.000 22.730 ( -1.518 0.000 3.136) 3.484 23.333 ( -1.414 0.000 -16.281) 16.342 23.806 ( -0.193 0.000 8.740) 8.743 24.360 ( -2.063 0.000 7.016) 7.313 24.834 ( -0.536 0.000 -2.710) 2.763 25.072 ( 1.038 -0.000 7.609) 7.680 25.269 ( -9.838 0.000 4.891) 10.986 26.692 ( -1.182 0.000 2.322) 2.606 26.786 ( 12.633 -0.000 -9.598) 15.866 27.090 ( -3.232 0.000 12.561) 12.970 27.138 ( 11.077 -0.000 -1.981) 11.253 27.931 ( -6.389 0.000 -14.552) 15.892 ======================= Grid point 192 (99/144) ======================= q-point: (-0.14 -0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -19.953 -6.928 21.659) 30.252 2.381 ( -8.430 -18.506 31.433) 37.437 3.420 ( -4.185 5.165 49.863) 50.304 3.807 ( 6.054 0.271 25.954) 26.652 3.964 ( 16.456 -2.193 15.339) 22.603 4.124 ( 4.841 16.830 -5.364) 18.315 4.469 ( -2.024 8.415 -10.706) 13.767 4.627 ( -1.912 -9.942 40.901) 42.135 4.704 ( -4.565 -8.243 -1.892) 9.611 4.796 ( 5.148 -8.115 3.795) 10.333 4.911 ( 14.344 1.600 9.260) 17.148 5.276 ( -9.284 8.316 -13.652) 18.486 5.525 ( 0.331 -6.754 11.234) 13.112 5.647 ( 3.017 3.317 -2.974) 5.380 5.971 ( -0.774 3.033 22.619) 22.834 6.051 ( 3.548 -3.648 0.458) 5.109 6.491 ( 3.520 -11.525 -0.048) 12.051 6.546 ( -6.623 11.467 -24.668) 27.998 6.759 ( -3.084 -14.414 -4.810) 15.505 7.268 ( -4.079 1.271 -2.203) 4.807 7.643 ( -6.275 -14.426 -3.368) 16.088 7.958 ( -26.235 1.826 8.342) 27.589 8.268 ( -17.003 -0.370 -0.698) 17.021 8.376 ( 10.839 -0.795 -17.563) 20.654 8.633 ( 5.085 12.365 4.163) 14.003 8.868 ( 7.057 -2.990 -1.668) 7.844 9.006 ( -0.707 7.591 18.951) 20.427 9.427 ( -0.361 8.271 13.073) 15.475 9.637 ( 8.060 -7.728 -5.634) 12.507 9.958 ( -4.473 -3.683 9.276) 10.937 10.166 ( 8.894 -6.846 -5.764) 12.617 10.405 ( -1.969 16.803 3.660) 17.309 10.803 ( -10.014 -6.207 -0.798) 11.809 11.560 ( -2.266 6.540 -1.889) 7.174 11.581 ( -0.917 4.719 -20.582) 21.135 11.806 ( -3.864 -4.456 -2.630) 6.458 11.928 ( -13.390 -1.057 5.289) 14.435 12.391 ( 5.598 16.127 -11.263) 20.452 12.513 ( 5.429 7.153 10.980) 14.184 13.034 ( 14.660 -1.298 -0.084) 14.718 13.375 ( 4.026 -8.264 10.454) 13.921 13.833 ( -12.990 4.834 14.120) 19.786 15.028 ( 9.258 -5.488 -19.182) 21.995 15.359 ( 7.536 -4.566 -21.098) 22.864 15.917 ( 8.746 -1.128 -16.409) 18.628 15.985 ( 15.955 -9.230 4.688) 19.019 17.377 ( -26.882 -6.870 -4.121) 28.050 18.150 ( 5.261 4.339 -7.988) 10.503 18.426 ( 11.347 -6.654 -9.789) 16.397 18.576 ( 5.170 8.810 -10.720) 14.807 19.423 ( 1.076 -11.984 1.472) 12.122 19.719 ( 4.667 3.243 2.859) 6.362 20.047 ( -13.907 5.006 9.050) 17.331 20.489 ( -4.920 3.887 11.448) 13.052 20.855 ( -3.649 1.606 2.940) 4.953 20.992 ( 5.569 4.593 9.711) 12.100 21.132 ( 11.100 -1.402 15.440) 19.067 21.672 ( -3.153 5.954 -8.007) 10.464 22.225 ( -0.228 -0.887 2.330) 2.504 22.608 ( -3.642 3.054 -4.367) 6.454 22.721 ( -3.215 -0.223 0.632) 3.284 23.292 ( 0.117 -3.048 -13.223) 13.570 23.887 ( 2.692 -3.591 10.678) 11.583 24.371 ( -3.530 -2.031 9.105) 9.974 24.816 ( 0.558 2.377 -1.715) 2.983 25.102 ( 0.890 1.926 9.743) 9.971 25.185 ( -7.202 -1.280 2.904) 7.870 26.192 ( -4.380 35.305 5.031) 35.930 26.883 ( -0.982 -0.713 4.518) 4.679 27.269 ( 13.949 0.216 -2.199) 14.123 27.475 ( -0.847 -24.417 -10.186) 26.470 27.867 ( -1.018 -8.171 -12.946) 15.343 ======================= Grid point 199 (100/144) ======================= q-point: (-0.14 -0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 7.431 -0.000 36.428) 37.178 2.256 ( -5.686 0.000 39.410) 39.818 3.555 ( -11.498 0.000 49.029) 50.360 3.980 ( 6.899 -0.000 28.774) 29.590 4.104 ( 3.106 -0.000 19.893) 20.134 4.323 ( -6.013 0.000 -9.640) 11.362 4.351 ( -1.636 0.000 -17.667) 17.743 4.603 ( -4.112 0.000 -6.854) 7.993 4.773 ( 10.580 -0.000 47.024) 48.199 4.938 ( 25.746 -0.000 14.048) 29.329 4.948 ( -4.927 0.000 -17.184) 17.876 5.440 ( -3.018 0.000 8.662) 9.173 5.467 ( 19.630 -0.000 6.726) 20.751 5.826 ( 14.310 -0.000 5.108) 15.194 6.024 ( -6.706 0.000 20.045) 21.137 6.075 ( 4.922 -0.000 -11.694) 12.688 6.260 ( -9.876 0.000 -13.468) 16.701 6.551 ( 0.428 -0.000 -7.409) 7.421 6.582 ( -4.262 0.000 1.812) 4.631 7.342 ( -3.563 0.000 -6.149) 7.106 7.380 ( 5.524 -0.000 -5.862) 8.055 7.679 ( -27.410 0.000 5.865) 28.031 8.060 ( -17.932 0.000 3.027) 18.186 8.382 ( 1.970 -0.000 -18.120) 18.227 8.677 ( -10.832 0.000 -6.014) 12.389 8.948 ( 0.452 -0.000 6.187) 6.204 9.199 ( 6.824 -0.000 29.539) 30.317 9.520 ( -2.258 0.000 -6.234) 6.630 9.663 ( 3.746 -0.000 10.852) 11.480 9.868 ( 6.425 -0.000 -7.636) 9.979 10.206 ( 9.855 -0.000 -5.219) 11.152 10.526 ( -16.406 0.000 4.555) 17.027 10.638 ( 5.565 -0.000 -5.044) 7.511 11.476 ( -5.470 0.000 -24.017) 24.632 11.613 ( -3.691 0.000 10.091) 10.745 11.729 ( -0.385 0.000 -5.450) 5.464 11.777 ( -14.616 0.000 4.781) 15.379 12.517 ( 3.358 -0.000 -17.944) 18.255 12.734 ( 8.146 -0.000 11.194) 13.844 13.231 ( 14.824 -0.000 2.346) 15.009 13.299 ( -0.747 0.000 5.003) 5.058 13.759 ( -17.474 0.000 20.155) 26.675 15.006 ( 9.242 -0.000 -23.074) 24.857 15.344 ( 7.062 -0.000 -21.595) 22.721 16.026 ( 17.400 -0.000 -18.668) 25.520 16.158 ( 25.415 -0.000 14.452) 29.237 17.025 ( -21.773 0.000 1.986) 21.863 18.102 ( -7.631 0.000 -14.359) 16.261 18.543 ( 17.384 -0.000 -7.963) 19.121 18.687 ( 7.363 -0.000 -12.516) 14.521 19.306 ( -2.853 0.000 3.221) 4.303 19.799 ( 2.066 -0.000 3.560) 4.116 19.964 ( -14.189 0.000 11.195) 18.074 20.499 ( -5.899 0.000 8.479) 10.329 20.759 ( -5.930 0.000 -3.234) 6.755 21.191 ( 7.327 -0.000 13.087) 14.998 21.334 ( 16.660 -0.000 14.571) 22.133 21.647 ( -4.725 0.000 -11.217) 12.171 22.226 ( 0.226 -0.000 2.043) 2.055 22.554 ( -7.696 0.000 -6.422) 10.023 22.687 ( -3.739 0.000 4.336) 5.726 23.223 ( 0.846 -0.000 -10.996) 11.028 23.940 ( 4.809 -0.000 12.069) 12.992 24.353 ( -2.375 0.000 9.908) 10.189 24.862 ( 3.333 -0.000 -2.463) 4.145 25.090 ( -8.073 0.000 2.531) 8.461 25.163 ( 1.497 -0.000 10.739) 10.843 26.683 ( -0.940 0.000 2.245) 2.433 26.783 ( -4.268 0.000 -15.138) 15.728 27.074 ( -5.651 0.000 11.948) 13.217 27.430 ( 14.598 -0.000 -5.032) 15.441 27.708 ( -4.666 0.000 -13.380) 14.170 ======================= Grid point 200 (101/144) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.712 ( 17.268 -0.000 26.701) 31.799 3.151 ( 0.682 -0.000 28.535) 28.543 3.687 ( -6.692 0.000 -26.524) 27.355 3.846 ( -0.253 0.000 -13.209) 13.211 4.132 ( -28.067 0.000 22.029) 35.680 4.380 ( 10.444 -0.000 -4.599) 11.412 4.583 ( 7.470 -0.000 4.606) 8.776 4.636 ( 0.102 -0.000 18.844) 18.844 5.017 ( -1.128 0.000 -8.362) 8.438 5.020 ( -0.069 0.000 25.423) 25.423 5.410 ( -2.617 0.000 -6.552) 7.056 5.469 ( -8.126 0.000 -16.759) 18.625 5.518 ( -6.853 0.000 -7.750) 10.346 5.800 ( -4.391 0.000 8.074) 9.191 6.063 ( -2.273 0.000 7.391) 7.732 6.417 ( 0.072 -0.000 5.705) 5.706 6.475 ( 11.974 -0.000 15.898) 19.903 6.670 ( 5.725 -0.000 -4.954) 7.571 6.849 ( 10.542 -0.000 1.051) 10.594 7.329 ( 2.653 -0.000 23.599) 23.748 7.534 ( 6.943 -0.000 -18.132) 19.416 7.802 ( -13.493 0.000 12.512) 18.401 7.986 ( 7.614 -0.000 -6.946) 10.306 8.174 ( 1.940 -0.000 40.817) 40.864 8.405 ( 4.952 -0.000 9.866) 11.039 8.877 ( -9.487 0.000 -38.833) 39.975 9.179 ( -1.987 0.000 10.100) 10.294 9.372 ( -26.245 0.000 -7.611) 27.327 9.547 ( 7.339 -0.000 -5.725) 9.308 9.946 ( -3.619 0.000 22.185) 22.479 10.149 ( 4.199 -0.000 -27.308) 27.629 10.375 ( -4.977 0.000 0.959) 5.069 10.460 ( 9.456 -0.000 -13.601) 16.565 11.000 ( 5.291 -0.000 -22.311) 22.930 11.559 ( -8.177 0.000 8.349) 11.686 11.725 ( 5.300 -0.000 2.857) 6.021 11.919 ( -9.217 0.000 15.202) 17.778 12.235 ( 3.984 -0.000 -6.504) 7.627 13.131 ( 6.597 -0.000 4.474) 7.971 13.158 ( -7.986 0.000 -4.812) 9.324 13.365 ( -2.112 0.000 7.317) 7.615 14.020 ( -15.663 0.000 27.411) 31.570 14.333 ( 3.751 -0.000 -33.442) 33.652 15.082 ( 18.501 -0.000 -24.116) 30.395 16.405 ( 24.150 -0.000 3.887) 24.460 16.472 ( -12.465 0.000 2.632) 12.739 17.383 ( 24.826 -0.000 5.626) 25.456 17.508 ( -17.297 0.000 -7.959) 19.040 18.398 ( -4.851 0.000 -9.271) 10.464 18.530 ( 3.644 -0.000 -11.247) 11.822 19.432 ( 2.653 -0.000 9.870) 10.220 19.762 ( -4.380 0.000 -4.788) 6.490 20.128 ( -9.592 0.000 17.931) 20.336 20.581 ( -1.707 0.000 9.019) 9.180 20.622 ( 7.900 -0.000 -6.679) 10.345 21.094 ( -6.699 0.000 -17.006) 18.278 21.595 ( 1.011 -0.000 8.139) 8.201 21.715 ( 0.160 -0.000 1.552) 1.560 22.280 ( 1.225 -0.000 1.727) 2.118 22.350 ( -1.612 0.000 -2.055) 2.612 22.751 ( -3.259 0.000 5.896) 6.737 23.056 ( 5.977 -0.000 -9.349) 11.096 24.368 ( 3.041 -0.000 10.902) 11.318 24.538 ( -2.312 0.000 4.076) 4.686 24.897 ( 6.040 -0.000 -0.810) 6.094 24.960 ( -4.645 0.000 -1.544) 4.895 25.585 ( 3.730 -0.000 17.110) 17.512 26.216 ( -10.004 0.000 -14.485) 17.604 26.771 ( 0.929 -0.000 5.733) 5.807 27.115 ( -6.730 0.000 -11.609) 13.419 27.220 ( -10.070 0.000 11.932) 15.614 27.670 ( 15.491 -0.000 -10.330) 18.619 ======================= Grid point 201 (102/144) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( 15.197 -0.099 18.184) 23.699 3.264 ( -0.300 -1.991 19.771) 19.873 3.535 ( -2.196 2.535 -22.881) 23.125 3.776 ( 3.972 4.276 -8.265) 10.118 3.905 ( -29.359 -4.286 17.999) 34.702 4.372 ( 0.937 13.379 3.012) 13.746 4.502 ( -7.011 18.486 1.737) 19.847 4.630 ( 1.353 5.874 15.287) 16.433 4.798 ( 3.499 0.258 -1.868) 3.975 5.185 ( -1.028 -0.336 2.281) 2.524 5.242 ( -3.229 5.136 -2.085) 6.415 5.403 ( 0.693 -1.656 -0.446) 1.850 5.671 ( -7.453 -24.916 1.875) 26.075 5.845 ( 1.030 4.590 7.695) 9.019 6.000 ( -2.195 -0.927 6.639) 7.053 6.353 ( -1.382 11.094 1.874) 11.336 6.601 ( -2.234 -13.837 -0.786) 14.038 6.907 ( -1.529 -12.352 13.967) 18.708 7.030 ( 0.042 -9.169 1.634) 9.314 7.381 ( -0.708 -1.448 -1.397) 2.133 7.494 ( 3.455 0.848 -12.018) 12.533 7.870 ( 0.705 -8.955 17.138) 19.350 8.001 ( 0.754 0.652 -3.508) 3.647 8.366 ( 6.854 -1.759 25.997) 26.943 8.575 ( 15.677 4.205 17.191) 23.643 8.643 ( -4.601 3.088 -31.010) 31.501 9.071 ( -18.301 -2.155 -2.044) 18.540 9.209 ( -0.343 2.004 11.888) 12.060 9.548 ( 3.698 4.652 -1.429) 6.112 9.911 ( -6.728 3.690 9.870) 12.502 10.093 ( 1.376 -2.541 -25.283) 25.448 10.298 ( -0.017 6.688 -1.274) 6.808 10.567 ( 7.330 -5.283 -11.169) 14.366 11.081 ( 10.994 -7.183 -19.032) 23.123 11.455 ( -7.818 4.999 7.128) 11.702 11.680 ( 1.532 11.113 0.106) 11.219 11.932 ( -2.339 -4.382 13.472) 14.358 12.301 ( 3.109 -3.895 -1.375) 5.170 12.910 ( -5.890 11.232 2.299) 12.889 13.164 ( 5.476 10.198 -3.852) 12.200 13.422 ( -8.061 -8.446 10.131) 15.458 13.879 ( -9.615 6.019 17.151) 20.563 14.423 ( 0.235 -16.250 -23.394) 28.485 15.218 ( 19.086 -0.657 -23.665) 30.410 16.260 ( -14.683 7.136 -4.509) 16.936 16.596 ( 23.640 9.341 2.717) 25.564 17.309 ( -14.580 -4.014 -2.363) 15.306 17.734 ( 15.241 -6.598 -5.818) 17.598 18.346 ( -6.182 -7.108 -1.418) 9.526 18.562 ( 2.218 -4.076 -9.075) 10.192 19.523 ( 0.485 -3.023 7.468) 8.071 19.694 ( -3.136 -1.107 -4.652) 5.718 20.039 ( -6.049 6.924 17.639) 19.891 20.559 ( 2.537 5.364 6.202) 8.584 20.733 ( 7.529 -0.333 -3.863) 8.469 20.924 ( -5.545 3.221 -11.900) 13.518 21.579 ( -2.666 4.114 6.738) 8.333 21.649 ( -5.620 3.660 2.038) 7.010 22.308 ( 0.908 -0.257 1.540) 1.806 22.366 ( 2.523 -2.568 -2.365) 4.308 22.736 ( -3.096 -0.116 5.560) 6.365 23.108 ( 7.068 -1.040 -10.389) 12.608 24.424 ( -1.466 -0.263 9.692) 9.806 24.539 ( -3.982 -3.955 1.909) 5.928 24.859 ( 0.607 5.522 1.787) 5.835 25.007 ( 5.664 -1.943 -3.281) 6.828 25.633 ( 2.055 5.627 16.017) 17.100 25.867 ( -9.166 17.361 -4.777) 20.205 26.910 ( -0.556 -8.298 1.950) 8.542 26.997 ( -3.809 0.836 -0.767) 3.974 27.280 ( -10.149 -14.726 0.475) 17.891 27.812 ( 14.354 -1.461 -11.084) 18.194 ======================= Grid point 202 (103/144) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -13.402 11.847 11.685) 21.366 3.380 ( 2.104 1.773 -2.739) 3.882 3.396 ( 2.733 0.080 -3.189) 4.201 3.642 ( -9.606 10.050 -1.067) 13.943 3.880 ( 5.654 -6.563 10.927) 13.944 4.073 ( -1.525 11.257 -0.803) 11.388 4.327 ( 1.779 7.709 11.329) 13.818 4.573 ( -2.763 6.621 6.462) 9.656 4.734 ( -5.571 3.159 2.018) 6.715 5.160 ( 16.467 8.883 -9.715) 21.082 5.287 ( -10.204 -10.905 9.260) 17.572 5.446 ( -5.409 -6.127 6.526) 10.459 5.723 ( 0.149 8.575 1.673) 8.738 5.973 ( -5.575 -14.827 6.160) 16.996 6.144 ( -3.567 5.593 -1.185) 6.738 6.167 ( 1.949 -9.269 7.639) 12.168 6.776 ( -5.084 -10.329 4.761) 12.458 6.928 ( -9.304 5.609 5.823) 12.326 7.130 ( -9.422 -14.591 15.657) 23.384 7.405 ( -8.156 4.167 -2.782) 9.572 7.554 ( 12.397 -6.863 -14.217) 20.072 7.992 ( -8.073 -8.196 -8.699) 14.423 8.077 ( -3.015 -9.640 2.595) 10.428 8.470 ( 3.764 2.073 -6.573) 7.853 8.542 ( 6.810 0.036 -2.825) 7.373 8.629 ( 6.406 11.448 12.839) 18.356 9.044 ( 0.953 1.503 20.075) 20.154 9.237 ( 4.855 -1.359 11.729) 12.767 9.569 ( -1.680 -2.640 6.280) 7.016 9.781 ( -0.460 3.783 -7.436) 8.355 10.119 ( 0.005 -8.912 -17.760) 19.871 10.185 ( 5.765 10.797 7.060) 14.130 10.697 ( 4.703 -6.041 -7.030) 10.394 11.247 ( 0.401 -3.682 -7.148) 8.051 11.296 ( 0.999 5.168 -7.347) 9.038 11.511 ( 4.117 10.750 -0.803) 11.539 12.052 ( 1.097 -5.945 8.629) 10.536 12.325 ( -3.736 3.241 -1.913) 5.303 12.736 ( -3.959 4.085 2.334) 6.149 12.977 ( 2.848 13.390 -3.408) 14.107 13.507 ( -3.513 -5.686 9.409) 11.541 13.763 ( -7.260 3.410 14.418) 16.499 14.618 ( 1.212 -14.654 -20.694) 25.386 15.339 ( 14.041 0.381 -19.469) 24.007 15.938 ( -13.141 7.854 -11.852) 19.361 16.684 ( 21.195 11.216 2.459) 24.105 17.275 ( -14.830 -11.734 -1.041) 18.939 17.832 ( 2.946 0.359 -6.368) 7.025 18.479 ( -0.007 -8.951 -4.228) 9.899 18.635 ( 4.295 -2.206 -1.876) 5.180 19.556 ( -5.273 -5.007 5.402) 9.059 19.732 ( -4.202 -4.856 -1.647) 6.630 19.937 ( 2.330 5.920 14.076) 15.447 20.472 ( 4.274 12.270 -4.252) 13.671 20.654 ( -5.342 3.768 1.743) 6.765 20.944 ( 7.873 -1.864 -3.153) 8.684 21.463 ( -6.105 5.780 7.151) 11.037 21.540 ( -4.446 3.140 1.887) 5.761 22.314 ( 0.286 0.441 0.424) 0.675 22.444 ( 2.785 -3.301 -2.742) 5.116 22.725 ( -3.677 -0.857 6.608) 7.610 23.163 ( 7.277 -0.363 -11.814) 13.880 24.396 ( -4.609 2.485 8.299) 9.813 24.594 ( -4.723 -7.352 1.027) 8.798 24.783 ( -1.173 4.721 3.581) 6.041 25.077 ( 8.006 1.770 -2.907) 8.699 25.509 ( -5.481 10.141 4.806) 12.490 25.619 ( 0.486 7.749 8.474) 11.494 26.942 ( -4.111 -2.702 1.125) 5.047 27.041 ( 1.834 -2.362 5.630) 6.374 27.411 ( -9.075 -14.790 -7.510) 18.908 27.952 ( 12.302 -1.726 -10.130) 16.029 ======================= Grid point 203 (104/144) ======================= q-point: (-0.57 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( -16.948 15.322 19.500) 30.037 3.243 ( -4.154 3.562 -2.168) 5.886 3.461 ( -0.096 2.149 -3.904) 4.458 3.516 ( 6.686 0.340 -3.667) 7.633 3.916 ( 2.455 5.355 -3.250) 6.728 4.109 ( -0.074 -5.105 8.388) 9.820 4.396 ( 11.190 -2.259 6.614) 13.194 4.430 ( -6.626 4.118 16.947) 18.657 4.698 ( 3.281 0.193 2.854) 4.353 5.133 ( 4.499 8.336 -8.353) 12.630 5.315 ( -8.401 -3.422 7.565) 11.812 5.545 ( -2.975 -4.738 12.842) 14.008 5.590 ( -2.435 2.210 -14.710) 15.073 5.993 ( -4.662 1.907 4.357) 6.660 6.118 ( -1.727 -6.402 -2.894) 7.235 6.355 ( -3.345 -2.715 15.905) 16.478 6.640 ( 1.162 16.183 8.557) 18.343 6.984 ( -7.225 -10.205 10.588) 16.384 7.212 ( -11.275 3.104 7.271) 13.770 7.351 ( -2.245 -11.649 17.322) 20.995 7.618 ( 10.826 5.691 -18.484) 22.164 8.023 ( -22.242 -16.831 -4.428) 28.242 8.099 ( -0.068 -0.667 -16.465) 16.479 8.457 ( 1.741 6.040 3.680) 7.284 8.505 ( -2.991 5.663 4.251) 7.687 8.648 ( 7.764 -3.135 -5.444) 9.988 9.063 ( 14.990 11.459 5.394) 19.624 9.376 ( -7.161 2.750 12.764) 14.891 9.556 ( -1.838 -12.405 10.242) 16.191 9.902 ( 4.828 -7.819 4.188) 10.099 10.134 ( 4.570 2.470 1.916) 5.537 10.266 ( 5.435 -7.491 -4.966) 10.503 10.808 ( 6.407 -3.437 -3.972) 8.285 11.085 ( -7.907 6.315 -2.052) 10.325 11.340 ( 4.692 -2.167 -2.298) 5.656 11.455 ( 7.300 4.095 -9.528) 12.683 12.079 ( -9.305 10.792 -8.253) 16.467 12.195 ( -2.596 -6.822 2.489) 7.712 12.676 ( -0.850 2.568 5.641) 6.256 12.856 ( 4.707 5.111 -5.634) 8.946 13.599 ( -1.483 -5.563 8.104) 9.941 13.708 ( -3.553 1.720 13.674) 14.232 14.743 ( 3.982 -6.114 -20.754) 21.999 15.364 ( 4.250 1.740 -14.938) 15.628 15.690 ( -4.285 5.400 -13.172) 14.866 16.722 ( 15.903 11.853 5.398) 20.555 17.307 ( -15.569 -13.349 -5.853) 21.327 17.866 ( 3.782 -2.525 1.794) 4.889 18.524 ( -0.384 -0.381 -9.444) 9.459 18.643 ( 4.921 7.594 -0.811) 9.085 19.618 ( -3.327 3.328 11.222) 12.169 19.698 ( -5.788 -8.970 5.766) 12.133 20.078 ( 0.588 -14.529 -2.749) 14.799 20.260 ( 5.226 15.817 -8.014) 18.485 20.604 ( -3.526 -0.566 10.588) 11.174 21.017 ( 5.838 1.691 -4.914) 7.816 21.356 ( -3.427 3.252 8.438) 9.671 21.473 ( -2.555 0.784 1.150) 2.910 22.307 ( 0.387 0.990 0.350) 1.119 22.487 ( -0.071 -1.311 -4.047) 4.254 22.734 ( -4.062 -2.458 8.418) 9.665 23.192 ( 6.701 1.369 -12.796) 14.509 24.325 ( -2.970 4.352 10.199) 11.480 24.652 ( -5.434 -6.791 -2.313) 8.999 24.710 ( -2.535 3.520 5.156) 6.738 25.111 ( 6.685 2.952 1.168) 7.401 25.372 ( -4.094 2.901 3.864) 6.333 25.563 ( 0.265 2.605 6.457) 6.968 26.955 ( -2.682 -2.321 3.331) 4.866 27.121 ( 5.045 -1.335 4.096) 6.634 27.471 ( -8.269 -8.231 -10.139) 15.457 28.052 ( 9.171 0.810 -9.601) 13.302 ======================= Grid point 204 (105/144) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -2.799 11.563 31.687) 33.847 3.224 ( -1.481 -5.726 -0.414) 5.929 3.405 ( 4.903 10.767 7.722) 14.128 3.601 ( 4.873 -10.438 -13.183) 17.507 3.954 ( -5.455 -12.979 -12.881) 19.082 4.110 ( -6.518 -1.679 10.074) 12.116 4.412 ( 4.086 2.229 18.788) 19.355 4.597 ( 1.474 -1.434 15.270) 15.408 4.831 ( 4.595 -0.391 -11.291) 12.197 4.962 ( 0.396 0.220 4.221) 4.245 5.307 ( 7.826 6.270 -0.217) 10.031 5.435 ( -3.572 4.058 -4.856) 7.267 5.633 ( -7.190 -5.597 -5.944) 10.879 5.968 ( 1.306 2.754 12.752) 13.111 6.108 ( -2.535 5.496 -1.652) 6.274 6.326 ( -8.137 -2.598 21.215) 22.870 6.549 ( 12.528 11.120 12.265) 20.761 6.889 ( -7.259 11.659 15.197) 20.484 7.234 ( -4.787 -5.042 6.901) 9.796 7.465 ( -3.477 3.662 13.859) 14.751 7.539 ( 10.241 9.448 -21.206) 25.374 8.001 ( -10.149 -5.016 -0.699) 11.343 8.059 ( -2.752 -3.069 -11.756) 12.457 8.370 ( -5.675 3.879 2.977) 7.492 8.418 ( -10.480 -4.518 1.643) 11.530 8.720 ( 3.472 -2.887 -2.028) 4.950 9.094 ( 10.155 3.846 -1.826) 11.012 9.312 ( -3.608 -1.778 8.315) 9.237 9.765 ( -7.107 -9.538 9.644) 15.313 10.057 ( 6.109 -5.177 -10.535) 13.233 10.186 ( -0.540 -3.218 10.815) 11.296 10.328 ( 2.700 5.695 -4.156) 7.549 10.877 ( -10.501 5.315 -6.087) 13.251 11.015 ( 11.055 -10.763 -1.935) 15.550 11.372 ( 2.437 4.433 -0.186) 5.062 11.564 ( 9.716 -11.769 -6.499) 16.588 11.774 ( -10.328 6.455 -8.778) 15.013 12.240 ( -5.221 -2.266 2.232) 6.114 12.688 ( 0.907 -0.531 9.252) 9.312 12.847 ( 5.133 -0.338 -9.686) 10.967 13.658 ( -10.360 -4.866 12.226) 16.747 13.755 ( 7.144 -1.172 4.764) 8.666 14.798 ( 8.375 -1.979 -18.451) 20.359 15.274 ( -0.103 7.422 -14.534) 16.320 15.582 ( 4.408 2.262 -8.991) 10.266 16.682 ( 9.369 13.191 7.879) 17.996 17.286 ( -14.994 -7.650 -6.886) 18.187 18.006 ( 6.549 -4.907 2.397) 8.527 18.420 ( -1.046 6.496 -9.461) 11.524 18.562 ( 5.317 8.620 2.376) 10.403 19.585 ( 2.767 0.743 5.646) 6.331 19.828 ( -5.275 -6.851 7.415) 11.391 20.024 ( -0.338 10.537 -3.549) 11.124 20.319 ( -5.448 -16.079 -7.215) 18.447 20.689 ( 2.734 -7.044 9.767) 12.349 20.981 ( 0.296 3.808 -5.924) 7.049 21.354 ( 1.086 -1.131 8.059) 8.210 21.462 ( -0.369 -0.543 0.908) 1.120 22.296 ( 0.832 1.469 0.759) 1.852 22.470 ( -2.790 -0.720 -2.824) 4.035 22.761 ( -4.001 -2.519 8.077) 9.359 23.176 ( 5.230 3.525 -13.034) 14.479 24.276 ( 0.700 4.652 11.913) 12.808 24.648 ( -1.643 3.960 6.986) 8.196 24.678 ( -3.899 -4.797 -3.633) 7.170 25.147 ( 1.996 0.213 1.958) 2.804 25.323 ( -2.300 0.444 5.261) 5.759 25.606 ( -2.417 -7.540 4.478) 9.096 26.971 ( -1.761 -1.163 3.911) 4.444 27.231 ( 10.119 -0.870 0.564) 10.172 27.426 ( -7.989 -1.806 -9.775) 12.753 28.039 ( 4.753 6.932 -10.267) 13.268 ======================= Grid point 205 (106/144) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 8.640 9.211 36.567) 38.686 3.203 ( -1.405 11.185 19.263) 22.319 3.486 ( 7.305 -13.041 -7.193) 16.588 3.874 ( 4.060 -18.193 -9.386) 20.870 3.985 ( -11.129 -13.312 -20.395) 26.777 4.248 ( -3.774 -12.147 22.973) 26.259 4.507 ( 7.855 2.539 11.214) 13.925 4.563 ( -4.812 5.897 -13.271) 15.298 4.657 ( -11.275 0.282 17.512) 20.829 5.190 ( 10.216 2.531 0.741) 10.551 5.248 ( 12.925 12.355 3.242) 18.172 5.421 ( 1.386 -11.480 -2.572) 11.846 5.588 ( -11.870 -6.624 -7.198) 15.381 5.950 ( 13.942 9.630 5.553) 17.831 6.042 ( -3.209 3.962 12.960) 13.927 6.354 ( -9.598 -1.845 13.249) 16.464 6.628 ( 3.052 4.187 4.002) 6.547 6.684 ( 9.539 11.253 23.890) 28.078 7.076 ( 3.469 25.474 -2.871) 25.869 7.335 ( 2.799 5.184 5.626) 8.146 7.453 ( 2.277 8.542 -6.673) 11.076 7.959 ( -9.215 -1.396 9.304) 13.169 8.020 ( -0.662 0.606 -14.652) 14.679 8.246 ( -11.589 2.345 13.502) 17.947 8.422 ( -10.050 -8.458 -0.108) 13.136 8.906 ( 6.416 -12.430 -4.341) 14.646 9.114 ( -5.363 -3.548 2.862) 7.039 9.368 ( -2.425 -4.435 2.210) 5.516 9.780 ( -7.911 -2.533 2.514) 8.678 9.995 ( -4.643 6.711 -15.764) 17.751 10.221 ( 15.016 9.993 -5.186) 18.768 10.360 ( -3.682 -9.565 7.279) 12.571 10.641 ( -14.216 3.084 -9.159) 17.190 11.146 ( 6.828 5.068 -13.974) 16.357 11.442 ( 1.991 -9.099 3.376) 9.907 11.625 ( -5.767 -3.141 -9.874) 11.859 11.871 ( 5.114 -11.581 3.259) 13.073 12.204 ( -3.071 0.772 6.522) 7.250 12.760 ( -0.631 -4.825 11.877) 12.835 12.924 ( 6.093 -5.749 -11.405) 14.151 13.638 ( -5.804 1.301 9.052) 10.831 13.875 ( -0.213 -6.624 3.879) 7.680 14.880 ( 12.973 -0.235 -17.513) 21.796 15.001 ( -4.141 16.148 -15.648) 22.864 15.695 ( 15.889 -5.045 -3.181) 16.971 16.595 ( 2.668 7.843 7.148) 10.942 17.199 ( -6.277 0.806 -0.128) 6.330 18.026 ( -2.174 7.814 -6.759) 10.558 18.379 ( 6.878 -2.187 -1.692) 7.413 18.511 ( 4.167 4.719 -0.541) 6.318 19.628 ( 1.162 6.160 1.008) 6.349 19.749 ( 4.487 5.620 -2.747) 7.698 20.017 ( -10.323 -10.765 12.155) 19.240 20.432 ( -5.958 -9.749 -3.704) 12.011 20.804 ( -3.758 2.318 -0.579) 4.453 20.991 ( 2.900 -11.004 -5.341) 12.571 21.452 ( 0.764 -4.673 5.145) 6.992 21.486 ( 4.472 -0.450 4.270) 6.200 22.285 ( 1.003 1.603 1.259) 2.272 22.440 ( -3.819 -0.998 -1.688) 4.293 22.773 ( -4.002 -1.328 7.217) 8.359 23.113 ( 3.784 4.640 -12.107) 13.506 24.271 ( 4.022 4.423 12.128) 13.522 24.594 ( -0.533 4.161 7.172) 8.309 24.719 ( -1.330 -5.325 -1.110) 5.600 25.126 ( -3.763 0.947 -1.869) 4.307 25.360 ( 1.764 -1.820 9.690) 10.016 25.789 ( -5.117 -18.808 2.356) 19.634 26.975 ( -0.889 0.775 3.041) 3.261 27.296 ( -8.687 1.385 -8.689) 12.365 27.369 ( 14.283 0.967 -2.735) 14.574 27.853 ( -0.927 14.525 -9.536) 17.400 ======================= Grid point 206 (107/144) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( 14.336 5.100 33.502) 36.796 3.109 ( -1.223 7.117 27.914) 28.833 3.746 ( 3.019 -12.067 -13.342) 18.241 3.879 ( -9.595 -4.664 -24.442) 26.669 4.224 ( -4.178 -13.170 5.831) 14.997 4.350 ( -5.009 4.682 9.601) 11.798 4.478 ( 2.452 -2.834 -0.106) 3.749 4.580 ( 1.851 0.567 16.260) 16.375 4.686 ( -1.754 -12.891 9.501) 16.110 5.135 ( 5.912 7.535 8.357) 12.711 5.333 ( 5.931 -3.773 -7.035) 9.945 5.516 ( -11.863 -10.918 -15.332) 22.249 5.686 ( 3.974 -1.441 4.677) 6.304 5.890 ( -1.712 7.974 1.953) 8.386 6.119 ( 13.264 -3.792 15.460) 20.721 6.167 ( -14.514 7.136 1.668) 16.259 6.582 ( 12.975 12.766 13.832) 22.861 6.665 ( -3.388 11.586 6.240) 13.588 6.854 ( 15.015 11.067 2.604) 18.834 7.296 ( 1.092 8.391 7.720) 11.454 7.406 ( 13.413 -1.042 -1.206) 13.507 7.918 ( -8.264 -0.703 10.536) 13.409 7.965 ( 1.181 0.889 -9.772) 9.883 8.128 ( -10.428 4.702 29.175) 31.338 8.407 ( -8.134 -3.034 -1.144) 8.756 9.068 ( -12.725 -8.185 -26.765) 30.745 9.126 ( 0.144 -5.072 7.262) 8.860 9.430 ( 1.780 -5.090 1.849) 5.700 9.660 ( -12.551 1.794 -14.310) 19.119 9.890 ( 0.542 1.418 14.641) 14.719 10.182 ( 6.861 5.134 -14.558) 16.893 10.437 ( -3.967 -2.381 0.803) 4.696 10.458 ( -3.719 0.875 -11.717) 12.324 11.063 ( 4.581 4.256 -19.998) 20.953 11.570 ( -4.401 -5.552 3.429) 7.871 11.640 ( 0.566 -4.282 -1.587) 4.601 11.965 ( -8.358 -1.559 12.823) 15.386 12.225 ( 4.942 1.048 -3.413) 6.097 12.939 ( -0.197 -11.787 11.202) 16.263 13.079 ( 5.355 -9.308 -8.438) 13.657 13.518 ( -3.760 10.069 4.350) 11.595 13.987 ( -9.138 -9.827 12.894) 18.610 14.600 ( -2.170 18.620 -19.994) 27.408 14.976 ( 15.490 0.294 -21.960) 26.875 16.041 ( 23.053 -8.884 2.319) 24.814 16.547 ( -6.337 -0.915 4.887) 8.055 17.180 ( 11.541 4.716 7.029) 14.313 17.779 ( -10.162 8.809 -7.582) 15.438 18.456 ( 4.051 2.218 -8.438) 9.619 18.516 ( 5.045 -0.685 -5.634) 7.593 19.460 ( -0.293 8.884 4.212) 9.836 19.785 ( -0.378 -2.489 -3.286) 4.139 20.112 ( -9.297 -7.353 16.806) 20.565 20.506 ( -1.591 -6.157 -0.922) 6.426 20.681 ( -2.539 5.417 -1.068) 6.077 21.142 ( -3.238 -8.691 -14.783) 17.452 21.522 ( 2.069 -2.111 7.869) 8.406 21.628 ( 6.125 -4.144 4.074) 8.443 22.276 ( 0.770 1.191 1.487) 2.055 22.397 ( -4.096 0.191 -1.840) 4.495 22.766 ( -3.741 -0.353 6.550) 7.551 23.054 ( 4.247 2.855 -10.149) 11.366 24.305 ( 5.000 2.712 11.584) 12.905 24.556 ( -0.677 2.508 6.245) 6.764 24.805 ( 1.902 -4.805 -0.131) 5.170 25.045 ( -5.127 1.639 -2.197) 5.814 25.466 ( 3.518 -2.408 13.455) 14.114 26.081 ( -6.743 -24.154 -4.242) 25.433 26.905 ( -0.290 9.466 -0.289) 9.475 27.166 ( -8.156 -1.833 -4.616) 9.550 27.448 ( 1.650 10.377 -1.447) 10.607 27.573 ( 6.793 7.578 -8.116) 13.017 ======================= Grid point 208 (108/144) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.218 ( 6.790 -0.000 11.779) 13.596 3.307 ( -0.130 0.000 3.263) 3.265 3.509 ( 4.012 -0.000 -9.729) 10.524 3.607 ( -17.943 0.000 20.761) 27.440 3.825 ( 5.106 -0.000 -7.917) 9.421 4.519 ( -9.540 0.000 7.332) 12.032 4.576 ( -1.281 0.000 -2.973) 3.237 4.711 ( -11.103 0.000 27.091) 29.278 4.793 ( -3.217 0.000 -10.643) 11.119 5.097 ( -5.972 0.000 12.160) 13.547 5.189 ( -11.957 0.000 -11.666) 16.705 5.402 ( 1.573 -0.000 1.145) 1.945 5.576 ( 21.276 -0.000 11.005) 23.954 5.849 ( 2.591 -0.000 -5.259) 5.863 6.046 ( -5.650 0.000 9.454) 11.014 6.412 ( -0.865 0.000 1.067) 1.374 6.547 ( -12.801 0.000 12.949) 18.209 6.549 ( -7.843 0.000 -17.450) 19.132 7.040 ( -4.537 0.000 19.454) 19.976 7.346 ( -2.083 0.000 4.093) 4.592 7.487 ( 2.895 -0.000 -22.459) 22.644 7.786 ( -14.448 0.000 22.743) 26.944 8.035 ( 8.394 -0.000 -14.251) 16.539 8.475 ( 5.715 -0.000 0.130) 5.716 8.535 ( 2.545 -0.000 -29.133) 29.244 8.860 ( 14.471 -0.000 15.150) 20.951 8.899 ( -7.912 0.000 33.688) 34.605 9.388 ( 17.240 -0.000 9.351) 19.613 9.576 ( -5.764 0.000 -8.824) 10.539 9.891 ( -13.334 0.000 20.664) 24.593 9.963 ( 0.104 -0.000 -28.217) 28.217 10.385 ( 4.134 -0.000 0.082) 4.135 10.577 ( 11.381 -0.000 -15.381) 19.133 11.126 ( 17.727 -0.000 -15.685) 23.670 11.439 ( -9.422 0.000 14.298) 17.124 11.835 ( -5.784 0.000 8.536) 10.310 11.886 ( 7.717 -0.000 0.020) 7.717 12.296 ( 3.628 -0.000 0.767) 3.708 12.918 ( -10.688 0.000 -5.692) 12.109 13.289 ( -9.206 0.000 10.877) 14.250 13.310 ( 4.269 -0.000 8.949) 9.915 13.900 ( -11.136 0.000 25.694) 28.004 14.185 ( 3.857 -0.000 -33.667) 33.887 15.347 ( 20.149 -0.000 -27.318) 33.944 16.159 ( -13.644 0.000 -7.030) 15.348 16.944 ( 22.076 -0.000 0.239) 22.078 17.015 ( -21.640 0.000 -6.237) 22.521 17.845 ( 8.463 -0.000 -7.180) 11.098 18.215 ( -0.702 0.000 3.668) 3.735 18.478 ( -0.728 0.000 -12.894) 12.915 19.554 ( -0.148 0.000 9.241) 9.242 19.629 ( -3.018 0.000 -5.119) 5.942 20.114 ( -0.836 0.000 18.189) 18.208 20.654 ( 0.026 -0.000 14.354) 14.354 20.791 ( -2.013 0.000 -14.437) 14.577 20.889 ( 9.688 -0.000 -3.622) 10.343 21.576 ( -12.084 0.000 3.179) 12.495 21.596 ( -4.610 0.000 4.351) 6.339 22.353 ( 3.784 -0.000 3.387) 5.078 22.353 ( 2.279 -0.000 -3.905) 4.521 22.714 ( -3.754 0.000 4.578) 5.920 23.153 ( 8.492 -0.000 -11.136) 14.005 24.425 ( -4.064 0.000 8.999) 9.874 24.437 ( -7.210 0.000 -1.412) 7.347 24.898 ( 0.150 -0.000 -2.950) 2.954 25.103 ( 12.335 -0.000 1.476) 12.423 25.767 ( 0.817 -0.000 19.601) 19.618 25.870 ( -12.479 0.000 -11.289) 16.828 26.857 ( 1.747 -0.000 8.859) 9.030 26.939 ( -3.165 0.000 -6.476) 7.208 27.071 ( -8.692 0.000 8.839) 12.397 27.905 ( 12.458 -0.000 -13.737) 18.545 ======================= Grid point 209 (109/144) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( -19.403 10.525 15.549) 27.001 3.316 ( -3.460 -2.482 -17.809) 18.311 3.524 ( 8.131 3.537 6.266) 10.858 3.663 ( -1.630 2.836 3.275) 4.628 3.942 ( 15.931 -3.203 10.251) 19.213 4.181 ( -12.138 11.758 -2.143) 17.034 4.571 ( 2.884 6.443 2.342) 7.437 4.595 ( -10.632 4.722 19.690) 22.870 4.753 ( 1.761 3.303 0.906) 3.852 5.075 ( -8.138 -4.473 5.250) 10.668 5.189 ( -8.430 -10.494 -7.054) 15.197 5.464 ( 4.742 -3.693 2.334) 6.447 5.706 ( -2.138 4.108 -4.463) 6.431 5.898 ( 5.264 1.740 9.414) 10.925 6.094 ( 3.009 -6.800 4.510) 8.697 6.178 ( -6.995 6.745 -0.627) 9.737 6.549 ( -0.842 -9.326 -6.654) 11.488 6.663 ( -18.939 -18.962 10.391) 28.744 6.985 ( -10.738 -0.296 10.580) 15.078 7.315 ( -12.719 0.804 -4.936) 13.667 7.478 ( 0.999 -7.312 -4.578) 8.684 7.742 ( -3.079 -1.155 12.696) 13.115 8.063 ( 8.177 -0.551 -26.988) 28.205 8.531 ( 8.169 -0.911 -0.219) 8.222 8.572 ( 5.757 -2.178 -5.070) 7.974 8.927 ( 3.456 10.268 8.330) 13.666 9.048 ( 0.031 -4.844 39.316) 39.613 9.391 ( -7.161 3.496 -7.976) 11.275 9.654 ( 23.134 1.318 3.468) 23.430 9.768 ( -11.754 3.457 8.344) 14.823 9.926 ( -2.130 -4.982 -15.114) 16.056 10.407 ( 5.913 4.105 7.658) 10.510 10.695 ( 14.585 -2.318 -17.066) 22.568 11.260 ( 5.511 3.725 1.192) 6.758 11.367 ( 1.678 2.223 1.336) 3.089 11.728 ( 2.261 8.353 2.602) 9.037 12.004 ( 3.732 -3.847 -0.824) 5.423 12.345 ( 1.319 1.517 1.212) 2.347 12.728 ( -9.861 3.853 -2.617) 10.906 13.139 ( -8.770 8.641 5.892) 13.649 13.402 ( -2.695 -4.827 12.405) 13.581 13.815 ( -4.371 5.121 14.726) 16.192 14.307 ( 3.643 -17.452 -21.825) 28.181 15.450 ( 15.505 2.212 -25.693) 30.090 15.899 ( -10.961 7.947 -12.904) 18.703 16.837 ( -18.767 -9.351 -12.584) 24.454 17.113 ( 17.403 7.087 7.579) 20.262 17.821 ( -4.359 -1.044 -3.187) 5.500 18.344 ( 4.068 -5.718 -4.166) 8.160 18.529 ( 3.151 -11.161 -9.091) 14.736 19.516 ( -3.332 2.882 4.368) 6.204 19.626 ( -2.331 -2.728 -1.631) 3.941 20.147 ( 3.506 6.110 19.249) 20.498 20.624 ( -1.938 6.602 -4.579) 8.265 20.675 ( -2.967 3.416 6.983) 8.321 21.044 ( 14.157 -0.291 -2.475) 14.374 21.435 ( -12.124 1.089 5.263) 13.262 21.529 ( -6.054 1.816 2.031) 6.639 22.349 ( 2.313 1.429 -2.013) 3.382 22.432 ( 3.863 -1.869 1.622) 4.588 22.684 ( -5.026 -0.495 4.776) 6.950 23.207 ( 7.982 -0.043 -12.400) 14.747 24.354 ( -7.214 -0.955 1.226) 7.379 24.428 ( -7.402 -4.490 4.600) 9.804 24.863 ( 1.257 4.174 -1.614) 4.648 25.238 ( 13.483 2.520 0.860) 13.744 25.607 ( -9.057 9.579 -3.601) 13.666 25.776 ( -1.307 6.360 15.060) 16.400 26.867 ( -2.599 -1.417 1.588) 3.359 27.035 ( 2.976 -5.601 7.073) 9.500 27.075 ( -7.982 -10.577 0.852) 13.279 27.998 ( 9.765 -2.099 -14.291) 17.435 ======================= Grid point 210 (110/144) ======================= q-point: ( 0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( -12.986 11.141 23.329) 28.931 3.232 ( -4.125 0.943 -12.516) 13.212 3.473 ( -4.871 6.301 -3.078) 8.538 3.567 ( 3.513 3.337 4.721) 6.765 3.936 ( -5.578 2.091 -12.410) 13.766 4.230 ( 9.978 5.100 7.369) 13.411 4.461 ( -10.102 5.710 25.980) 28.454 4.570 ( 12.684 -0.367 10.030) 16.175 4.722 ( 1.633 1.723 -3.034) 3.852 5.053 ( -11.082 -1.361 -0.372) 11.172 5.294 ( 7.428 -6.736 -6.363) 11.876 5.479 ( -19.211 -1.335 -7.441) 20.645 5.609 ( 10.383 0.092 5.113) 11.574 5.947 ( -7.106 0.280 1.231) 7.217 6.030 ( 3.575 -0.865 3.183) 4.864 6.315 ( -1.822 -6.599 6.522) 9.455 6.643 ( -14.609 -16.906 6.269) 23.206 6.836 ( 1.891 -7.176 6.940) 10.160 6.985 ( -6.821 -3.760 1.804) 7.995 7.152 ( -12.811 -10.405 -4.094) 17.004 7.572 ( -10.083 -7.254 19.988) 23.533 7.839 ( 15.976 3.166 -4.831) 16.988 8.051 ( 2.908 -0.355 -20.705) 20.912 8.544 ( -5.852 3.709 6.755) 9.677 8.647 ( 0.959 6.928 1.205) 7.097 8.791 ( 13.103 6.622 -3.484) 15.089 9.273 ( -3.710 -9.318 12.427) 15.969 9.298 ( -4.458 -0.236 19.764) 20.261 9.540 ( -5.236 10.167 -5.996) 12.912 9.843 ( 4.461 -0.076 6.413) 7.813 9.986 ( 1.716 -7.267 -10.156) 12.606 10.495 ( 16.330 3.017 10.902) 19.865 10.824 ( 10.410 -2.986 -17.047) 20.196 11.116 ( -8.307 9.411 12.205) 17.509 11.429 ( 11.923 2.203 -2.914) 12.470 11.642 ( 4.990 9.222 -4.313) 11.338 12.086 ( 1.649 -4.983 -9.486) 10.841 12.184 ( -5.100 14.673 1.068) 15.571 12.644 ( -4.275 -2.747 0.110) 5.083 12.940 ( -5.966 6.153 2.441) 8.911 13.463 ( -9.686 -5.609 14.509) 18.325 13.786 ( 2.790 2.076 6.743) 7.587 14.572 ( 6.445 -14.727 -16.425) 22.983 15.403 ( 3.040 5.715 -15.819) 17.092 15.699 ( 0.870 3.179 -17.395) 17.704 16.763 ( -16.200 -10.405 -14.419) 24.054 17.195 ( 11.650 6.601 12.145) 18.077 17.836 ( 0.114 -4.620 0.670) 4.670 18.422 ( -0.086 -5.967 -11.656) 13.095 18.706 ( 3.235 -4.617 -6.862) 8.881 19.497 ( -3.486 -4.910 5.738) 8.318 19.629 ( -3.489 -3.042 -2.107) 5.086 20.109 ( 2.513 10.109 16.255) 19.306 20.470 ( 1.095 9.101 -6.162) 11.045 20.632 ( -1.065 2.497 11.819) 12.127 21.125 ( 6.091 4.305 -3.110) 8.081 21.342 ( -6.164 -0.142 4.625) 7.708 21.456 ( -3.315 0.032 1.707) 3.728 22.346 ( 2.465 1.419 -1.492) 3.212 22.485 ( 2.498 0.843 -0.751) 2.741 22.664 ( -5.835 -2.610 7.737) 10.036 23.240 ( 6.339 0.631 -13.369) 14.810 24.314 ( -6.447 -1.834 5.460) 8.645 24.444 ( -7.944 -7.084 1.124) 10.703 24.798 ( 1.885 5.305 1.855) 5.928 25.303 ( 9.584 5.924 -0.462) 11.276 25.401 ( -3.919 6.323 1.783) 7.650 25.675 ( -2.177 7.961 9.673) 12.715 26.890 ( -2.133 -3.381 3.354) 5.218 27.129 ( -0.114 -5.648 2.740) 6.279 27.225 ( -1.180 -9.623 0.006) 9.695 28.080 ( 6.162 -2.363 -13.760) 15.261 ======================= Grid point 211 (111/144) ======================= q-point: (-0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 1.263 5.995 29.905) 30.526 3.145 ( -4.002 -1.313 0.133) 4.214 3.432 ( 1.591 -5.989 -9.125) 11.030 3.585 ( 3.594 0.275 -1.426) 3.877 3.774 ( -6.015 3.491 -16.888) 18.264 4.118 ( -5.956 8.682 12.931) 16.675 4.421 ( -11.774 -3.537 29.371) 31.840 4.674 ( 1.938 3.628 -0.027) 4.113 4.802 ( -1.031 2.950 -11.658) 12.070 4.973 ( 6.474 -7.919 4.802) 11.299 5.243 ( -8.584 -0.751 -16.448) 18.569 5.548 ( 9.755 -2.863 8.289) 13.117 5.667 ( 1.668 6.922 8.358) 10.980 5.958 ( 0.518 -5.914 2.333) 6.378 6.052 ( -0.383 -0.345 1.078) 1.195 6.375 ( 0.056 -1.668 3.147) 3.562 6.773 ( -5.077 0.624 0.960) 5.205 6.889 ( -6.253 -10.865 7.301) 14.507 6.991 ( -0.135 -5.443 14.531) 15.517 7.386 ( -11.391 -24.668 1.233) 27.199 7.627 ( -4.429 1.971 26.979) 27.411 7.886 ( 14.325 7.804 -13.801) 21.367 7.996 ( -1.367 0.724 -11.061) 11.169 8.404 ( -4.477 6.547 6.894) 10.509 8.512 ( 2.127 9.046 7.223) 11.770 8.804 ( 7.869 9.694 -9.299) 15.568 9.178 ( -12.766 1.098 4.271) 13.506 9.361 ( -0.346 4.414 -0.718) 4.486 9.519 ( -1.841 -9.786 11.135) 14.938 9.876 ( -4.295 -5.723 -0.613) 7.182 10.083 ( -0.910 -6.564 1.570) 6.810 10.648 ( 15.658 7.776 -4.098) 17.956 10.813 ( -9.794 6.879 -1.613) 12.076 11.028 ( 10.300 -2.737 1.176) 10.723 11.483 ( -1.952 7.839 -10.453) 13.211 11.549 ( 11.222 -1.657 -7.138) 13.402 11.890 ( -0.109 15.647 8.393) 17.756 12.143 ( -0.156 -4.430 -8.201) 9.322 12.667 ( -2.456 -3.585 3.326) 5.472 12.834 ( -3.842 0.805 -2.241) 4.520 13.484 ( -11.755 -6.131 15.755) 20.591 13.829 ( 4.980 0.207 -0.939) 5.072 14.781 ( 10.082 -6.835 -15.133) 19.426 15.315 ( 2.116 3.798 -12.837) 13.553 15.652 ( 6.762 1.042 -10.795) 12.780 16.681 ( -17.416 -7.007 -11.304) 21.913 17.244 ( 8.764 6.252 12.013) 16.131 17.967 ( 4.109 -7.437 1.422) 8.614 18.434 ( -0.574 0.217 -12.442) 12.457 18.693 ( 0.323 2.918 -5.119) 5.901 19.605 ( -5.984 -9.319 7.195) 13.207 19.671 ( 2.712 -2.735 5.221) 6.488 20.042 ( -2.806 -0.658 2.528) 3.833 20.288 ( 1.714 14.142 -2.411) 14.448 20.676 ( 2.127 -2.331 8.701) 9.256 21.047 ( -0.596 5.960 -4.748) 7.643 21.316 ( -4.561 -2.300 5.880) 7.789 21.470 ( 1.793 -0.949 0.329) 2.055 22.351 ( 3.762 1.695 -0.823) 4.208 22.452 ( -1.525 2.472 -0.726) 2.994 22.694 ( -3.733 -3.522 8.751) 10.144 23.231 ( 4.255 2.095 -13.824) 14.615 24.308 ( -5.103 -2.331 9.992) 11.459 24.495 ( -4.940 -8.174 -0.933) 9.596 24.756 ( 2.796 5.167 5.263) 7.888 25.256 ( -0.060 4.858 -2.879) 5.648 25.327 ( 2.173 4.136 6.728) 8.191 25.571 ( -3.280 3.507 5.502) 7.303 26.935 ( -1.466 -2.666 4.279) 5.251 27.215 ( -3.470 -6.074 -5.590) 8.955 27.358 ( 7.486 -3.482 3.276) 8.883 28.094 ( 1.728 1.006 -13.841) 13.985 ======================= Grid point 212 (112/144) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 8.968 5.448 30.041) 31.821 3.241 ( 1.924 -9.679 2.611) 10.208 3.563 ( 5.107 10.102 2.789) 11.658 3.604 ( 0.694 -13.952 -7.083) 15.662 3.655 ( -4.033 -7.681 -16.175) 18.355 4.049 ( -11.155 -9.334 10.423) 17.894 4.450 ( -16.486 -4.608 28.953) 33.634 4.558 ( -2.811 4.876 -13.232) 14.379 4.712 ( 3.644 3.130 3.835) 6.147 5.109 ( -10.435 -6.406 -16.977) 20.932 5.299 ( 11.033 -10.541 2.442) 15.453 5.537 ( -4.180 9.503 12.926) 16.579 5.613 ( 8.429 12.056 4.586) 15.409 6.045 ( -0.862 -3.109 5.304) 6.209 6.077 ( 2.843 -1.494 -1.809) 3.686 6.385 ( -1.211 3.445 -1.430) 3.922 6.778 ( 12.404 1.758 5.643) 13.740 6.978 ( 4.972 7.614 20.016) 21.984 7.127 ( -11.676 -11.389 11.558) 19.991 7.538 ( -5.005 8.623 14.298) 17.431 7.598 ( -7.191 -11.517 -0.840) 13.604 7.873 ( 11.672 3.283 -17.911) 21.629 7.943 ( 1.814 3.228 2.720) 4.594 8.333 ( 0.379 4.300 6.084) 7.460 8.389 ( 2.835 14.151 14.520) 20.472 8.734 ( -3.521 -2.891 3.442) 5.710 9.042 ( -9.054 -0.964 -5.193) 10.482 9.312 ( -7.261 -1.956 6.430) 9.894 9.629 ( 1.733 -3.246 -4.205) 5.587 9.903 ( -4.465 -4.546 -14.977) 16.276 10.202 ( -6.734 -6.059 18.851) 20.914 10.501 ( -14.452 5.003 -12.616) 19.825 10.587 ( 13.124 14.674 -9.476) 21.848 11.233 ( 10.340 -3.475 -11.187) 15.625 11.363 ( -3.127 -1.881 -5.397) 6.515 11.533 ( 1.804 4.614 -16.957) 17.666 11.888 ( 6.686 0.398 21.684) 22.694 12.190 ( 2.191 -3.145 0.918) 3.941 12.722 ( -1.215 -3.021 5.816) 6.665 12.809 ( -3.138 -5.941 -7.641) 10.174 13.525 ( -8.705 -6.727 14.160) 17.932 13.856 ( 1.292 0.328 -3.183) 3.451 14.927 ( 10.287 -2.716 -14.538) 18.015 15.161 ( 1.355 11.316 -16.515) 20.066 15.796 ( 17.194 -4.964 -1.420) 17.953 16.522 ( -18.339 -2.990 -7.898) 20.190 17.286 ( 8.588 4.769 10.897) 14.671 18.070 ( -0.900 1.400 -8.615) 8.774 18.389 ( 3.552 -2.270 -2.338) 4.820 18.633 ( 0.654 4.773 -1.814) 5.147 19.698 ( 2.299 2.158 7.230) 7.887 19.744 ( -7.573 -9.553 12.559) 17.502 20.029 ( 2.847 17.499 -3.368) 18.046 20.156 ( -2.720 -15.335 -8.003) 17.510 20.765 ( -1.396 -3.181 3.027) 4.607 20.934 ( 0.087 3.293 -5.810) 6.679 21.368 ( -2.966 -6.314 7.885) 10.528 21.512 ( 1.964 -1.796 0.901) 2.810 22.357 ( 3.803 3.550 0.011) 5.202 22.402 ( -2.038 0.299 0.112) 2.063 22.732 ( -2.779 -1.934 7.799) 8.502 23.176 ( 2.896 3.538 -13.269) 14.034 24.343 ( -2.728 -2.592 11.738) 12.327 24.587 ( -1.238 -7.742 -0.750) 7.876 24.713 ( 2.378 6.667 8.219) 10.847 25.152 ( -1.534 4.842 -5.180) 7.255 25.357 ( 0.926 -2.333 9.422) 9.750 25.551 ( -4.716 -5.186 3.885) 8.015 26.969 ( -0.999 -1.371 4.570) 4.875 27.190 ( -6.590 -0.825 -5.680) 8.739 27.528 ( 14.376 -1.002 -0.899) 14.438 27.971 ( -3.212 7.850 -13.683) 16.099 ======================= Grid point 213 (113/144) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 11.482 4.079 24.169) 27.067 3.294 ( -1.902 6.444 15.670) 17.050 3.582 ( -2.499 -6.659 -18.406) 19.732 3.648 ( 3.854 -6.282 -6.839) 10.054 3.948 ( 1.498 -18.872 4.372) 19.430 4.207 ( -16.784 -22.755 2.157) 28.357 4.346 ( -15.287 2.993 24.656) 29.165 4.496 ( 4.945 -1.107 -5.783) 7.689 4.752 ( 5.281 1.231 4.410) 6.989 5.090 ( -4.235 -9.225 -14.746) 17.902 5.374 ( -4.683 7.831 9.277) 13.012 5.466 ( 2.969 10.810 2.281) 11.440 5.612 ( 4.723 -12.447 8.322) 15.699 6.059 ( -1.562 6.612 9.927) 12.029 6.123 ( -6.645 3.926 0.169) 7.720 6.208 ( 2.399 3.987 -4.493) 6.468 6.868 ( -6.725 12.274 13.895) 19.722 6.898 ( 11.880 5.781 8.501) 15.711 7.174 ( -2.290 1.522 11.395) 11.722 7.445 ( 6.807 4.235 -1.130) 8.096 7.529 ( 2.707 11.441 -13.256) 17.718 7.916 ( 1.946 -2.079 -13.209) 13.512 7.979 ( 6.736 3.241 12.860) 14.874 8.309 ( -3.084 7.746 36.552) 37.491 8.326 ( 4.852 -1.064 15.988) 16.742 8.736 ( -9.882 -7.307 -17.459) 21.351 9.031 ( -1.988 -6.877 -1.386) 7.291 9.338 ( -6.748 -5.220 7.097) 11.097 9.550 ( -4.083 7.096 -13.582) 15.859 9.880 ( -3.682 -3.612 1.248) 5.307 10.187 ( -13.634 -4.609 3.330) 14.772 10.270 ( 1.522 3.870 -20.552) 20.969 10.585 ( 11.000 4.216 -6.010) 13.225 11.195 ( 7.745 9.807 -18.098) 21.993 11.415 ( -5.122 -7.506 -1.601) 9.227 11.521 ( 0.717 -7.577 -8.709) 11.566 11.961 ( -2.215 2.249 18.571) 18.837 12.294 ( 5.349 -0.353 3.039) 6.162 12.780 ( -2.467 -6.718 5.251) 8.877 12.940 ( 2.125 -12.507 -5.701) 13.908 13.557 ( -5.919 -0.030 7.927) 9.894 13.843 ( -5.354 -2.523 6.452) 8.756 14.784 ( -3.808 15.542 -18.189) 24.225 15.107 ( 17.195 1.765 -18.709) 25.472 16.147 ( 21.691 -9.839 3.003) 24.007 16.362 ( -15.166 -4.599 -6.354) 17.074 17.358 ( 6.358 1.859 9.144) 11.292 17.873 ( -2.718 10.925 -13.210) 17.356 18.518 ( -1.903 6.500 -0.342) 6.782 18.535 ( 6.316 -2.702 -1.405) 7.012 19.626 ( -2.580 7.639 3.095) 8.636 19.788 ( 1.053 9.494 -3.801) 10.281 19.902 ( -8.375 -12.411 15.763) 21.740 20.380 ( 3.955 -11.763 -3.855) 12.995 20.732 ( -1.810 2.036 -0.978) 2.894 20.935 ( -1.988 -4.603 -8.365) 9.752 21.485 ( -1.150 -6.648 7.812) 10.322 21.587 ( 0.100 -5.119 2.481) 5.689 22.325 ( -0.231 2.298 1.453) 2.729 22.388 ( 1.806 1.944 -1.712) 3.158 22.745 ( -2.741 -0.460 6.717) 7.269 23.114 ( 4.121 3.006 -11.484) 12.566 24.395 ( -0.804 -0.966 11.246) 11.316 24.628 ( -0.362 4.506 2.154) 5.007 24.730 ( 1.548 -5.437 6.709) 8.773 25.048 ( -0.772 3.413 -6.326) 7.229 25.472 ( 1.625 -5.442 11.393) 12.730 25.670 ( -6.425 -15.516 2.276) 16.947 26.985 ( -0.242 0.658 4.194) 4.252 27.077 ( -6.748 2.869 -3.969) 8.338 27.635 ( 1.895 11.153 -6.334) 12.965 27.724 ( 5.902 5.409 -9.653) 12.541 ======================= Grid point 216 (114/144) ======================= q-point: ( 0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -19.161 0.000 25.701) 32.057 3.189 ( -0.286 0.000 -26.087) 26.088 3.657 ( 4.952 -0.000 9.290) 10.527 3.714 ( 1.034 -0.000 -1.903) 2.166 4.062 ( -23.695 0.000 10.560) 25.941 4.160 ( 16.292 -0.000 7.016) 17.738 4.611 ( -1.339 0.000 29.884) 29.914 4.737 ( 4.472 -0.000 -0.928) 4.568 4.812 ( 1.437 -0.000 -2.022) 2.481 4.925 ( -1.455 0.000 -5.469) 5.659 4.997 ( -5.267 0.000 1.194) 5.400 5.354 ( -9.740 0.000 -6.186) 11.539 5.675 ( -6.696 0.000 -17.602) 18.832 6.019 ( -3.653 0.000 4.125) 5.510 6.100 ( 3.315 -0.000 4.168) 5.326 6.164 ( -25.413 0.000 16.143) 30.107 6.212 ( 0.390 -0.000 -18.531) 18.535 6.585 ( 15.196 -0.000 3.443) 15.582 6.746 ( -22.025 0.000 -0.857) 22.042 7.291 ( -8.125 0.000 30.349) 31.418 7.377 ( -0.217 0.000 -8.185) 8.188 7.860 ( 13.668 -0.000 8.144) 15.911 8.042 ( 7.956 -0.000 -32.558) 33.516 8.550 ( -3.993 0.000 17.322) 17.776 8.666 ( 11.680 -0.000 -6.899) 13.565 8.984 ( -11.259 0.000 -5.064) 12.346 9.156 ( 0.544 -0.000 35.757) 35.761 9.255 ( -2.714 0.000 -17.572) 17.780 9.702 ( -14.273 0.000 21.289) 25.631 9.861 ( 4.298 -0.000 -6.613) 7.887 9.974 ( 23.437 -0.000 0.137) 23.437 10.536 ( 7.832 -0.000 11.754) 14.124 10.763 ( 12.599 -0.000 -23.208) 26.407 11.339 ( -8.963 0.000 15.981) 18.323 11.493 ( 20.353 -0.000 -6.031) 21.228 11.805 ( 0.595 -0.000 2.695) 2.760 12.010 ( 3.831 -0.000 -11.364) 11.993 12.420 ( 6.574 -0.000 6.069) 8.947 12.620 ( -12.365 0.000 -1.908) 12.512 13.104 ( -15.233 0.000 16.374) 22.364 13.358 ( -7.920 0.000 10.834) 13.420 13.950 ( 1.254 -0.000 24.843) 24.875 14.066 ( 7.076 -0.000 -35.557) 36.255 15.550 ( 14.414 -0.000 -30.514) 33.747 15.807 ( -10.597 0.000 -13.376) 17.065 16.469 ( -20.644 0.000 -10.372) 23.103 17.406 ( 17.773 -0.000 2.436) 17.939 17.700 ( -9.985 0.000 2.629) 10.325 18.358 ( 0.008 -0.000 -16.000) 16.000 18.412 ( 8.999 -0.000 -4.193) 9.928 19.533 ( -5.382 0.000 6.386) 8.352 19.571 ( -0.093 0.000 -4.040) 4.041 20.311 ( 4.962 -0.000 19.917) 20.526 20.604 ( -2.539 0.000 -7.605) 8.017 20.751 ( -1.173 0.000 16.487) 16.529 21.203 ( 15.540 -0.000 -3.704) 15.975 21.308 ( -13.716 0.000 6.675) 15.253 21.472 ( -7.246 0.000 0.171) 7.248 22.373 ( 2.157 -0.000 -3.718) 4.299 22.484 ( 5.055 -0.000 5.432) 7.420 22.633 ( -6.026 0.000 3.312) 6.876 23.244 ( 6.402 -0.000 -13.579) 15.012 24.259 ( -5.410 0.000 -3.797) 6.610 24.324 ( -9.560 0.000 7.420) 12.101 24.915 ( 2.935 -0.000 -3.063) 4.242 25.395 ( 4.619 -0.000 0.117) 4.620 25.585 ( 0.844 -0.000 -6.852) 6.903 25.861 ( -4.676 0.000 19.124) 19.688 26.869 ( -5.578 0.000 6.267) 8.390 26.878 ( 0.216 -0.000 -3.525) 3.532 27.061 ( 1.830 -0.000 11.628) 11.771 28.020 ( 6.991 -0.000 -16.550) 17.966 ======================= Grid point 217 (115/144) ======================= q-point: ( 0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -8.910 7.263 24.812) 27.345 3.128 ( -1.146 -2.215 -17.126) 17.307 3.542 ( -9.394 11.015 5.547) 15.503 3.694 ( 0.850 3.858 -0.600) 3.995 3.877 ( -8.334 4.725 4.737) 10.688 4.291 ( -6.236 -4.000 22.376) 23.571 4.614 ( -1.988 0.811 -3.187) 3.843 4.690 ( 4.639 12.455 12.665) 18.359 4.839 ( -0.706 2.885 5.189) 5.979 4.961 ( -3.021 -0.392 -8.701) 9.219 5.082 ( -5.426 -14.450 2.323) 15.609 5.281 ( 7.995 -6.044 -13.135) 16.522 5.617 ( 0.994 -5.271 -7.330) 9.083 5.861 ( -13.605 2.888 4.283) 14.553 6.052 ( -8.489 -12.813 0.237) 15.372 6.171 ( -6.907 -4.766 7.093) 10.988 6.226 ( -1.272 -4.728 -18.030) 18.683 6.650 ( -6.769 -7.539 4.527) 11.097 6.784 ( 3.654 -4.661 0.813) 5.978 7.250 ( 1.484 6.437 23.793) 24.693 7.492 ( 4.720 -6.384 11.191) 13.721 8.014 ( 8.051 0.223 -27.788) 28.932 8.020 ( 7.672 0.958 1.796) 7.937 8.550 ( -7.204 1.379 13.163) 15.069 8.626 ( -14.659 -2.132 -0.707) 14.830 8.932 ( 8.982 -1.492 -7.315) 11.680 9.197 ( 4.513 2.417 -10.391) 11.584 9.296 ( -1.892 -3.182 26.982) 27.235 9.566 ( -13.289 5.893 15.605) 21.327 9.921 ( 6.722 1.287 3.611) 7.738 10.094 ( 7.821 6.544 0.692) 10.221 10.719 ( 15.231 -0.050 8.455) 17.421 10.805 ( 7.261 -2.029 -19.902) 21.282 11.239 ( -6.402 6.673 14.571) 17.258 11.636 ( 14.112 5.002 -2.156) 15.127 11.786 ( 1.689 6.732 -4.370) 8.202 11.990 ( 1.072 -3.257 -18.881) 19.190 12.425 ( 0.950 12.077 10.103) 15.774 12.533 ( -2.106 -3.261 -1.503) 4.162 12.945 ( -12.808 4.569 11.669) 17.919 13.313 ( -12.771 -4.063 15.139) 20.219 13.893 ( 6.124 5.934 -6.067) 10.465 14.332 ( 7.647 -18.813 -4.886) 20.888 15.492 ( 3.078 7.534 -21.350) 22.849 15.666 ( -1.371 -0.145 -17.225) 17.280 16.326 ( -17.259 -11.164 -13.481) 24.582 17.475 ( 7.478 7.588 9.074) 13.994 17.739 ( 1.975 -7.599 0.371) 7.861 18.316 ( 2.287 -1.778 -14.287) 14.578 18.565 ( 1.709 -9.917 -10.410) 14.478 19.465 ( -4.152 1.837 4.512) 6.401 19.562 ( -1.571 -0.478 -3.008) 3.427 20.369 ( 3.226 8.083 19.986) 21.798 20.565 ( 2.650 2.546 -1.592) 4.004 20.729 ( -1.969 5.451 12.896) 14.138 21.179 ( -9.422 1.565 7.692) 12.264 21.328 ( 2.812 1.707 -4.979) 5.967 21.415 ( 0.901 -1.965 -0.238) 2.175 22.384 ( 3.066 0.613 -2.682) 4.120 22.550 ( 2.857 2.041 -1.022) 3.657 22.584 ( -5.034 -2.339 9.695) 11.172 23.255 ( 4.050 -0.071 -14.542) 15.095 24.221 ( -4.945 -1.753 1.389) 5.427 24.272 ( -7.403 -4.418 2.500) 8.976 24.909 ( 3.454 3.757 -0.669) 5.148 25.314 ( -9.473 0.802 -2.766) 9.901 25.634 ( 15.668 8.635 -0.859) 17.910 25.797 ( -6.317 6.696 14.438) 17.123 26.835 ( -1.820 -2.008 3.305) 4.274 26.958 ( -2.276 -8.029 -1.213) 8.433 27.176 ( 3.702 -5.353 11.120) 12.885 28.041 ( 3.595 -2.116 -16.782) 17.293 ======================= Grid point 218 (116/144) ======================= q-point: (-0.43 -0.71 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 1.393 2.394 18.322) 18.530 3.094 ( -5.505 1.533 5.752) 8.108 3.343 ( -4.232 0.581 -5.635) 7.071 3.570 ( -9.872 -0.063 -14.389) 17.450 3.774 ( 4.277 6.891 10.079) 12.937 4.327 ( -5.806 17.781 2.781) 18.910 4.348 ( -16.129 -2.044 40.029) 43.204 4.654 ( -7.001 -0.851 -10.667) 12.788 4.836 ( -4.222 -1.593 -9.856) 10.839 4.874 ( 3.264 0.385 3.448) 4.764 5.161 ( 4.768 -1.221 -8.046) 9.432 5.575 ( 5.486 -8.889 4.288) 11.291 5.736 ( -0.536 -6.145 5.730) 8.419 5.844 ( 5.776 -7.148 -0.014) 9.190 6.157 ( 3.360 1.306 -2.981) 4.677 6.217 ( -2.628 -7.605 -4.256) 9.103 6.322 ( -15.291 -26.935 1.390) 31.004 6.783 ( -5.769 -12.259 -9.647) 16.632 6.855 ( 9.599 -3.151 9.829) 14.095 7.248 ( -4.949 4.531 23.789) 24.717 7.705 ( 8.939 -3.507 9.269) 13.346 7.925 ( -9.017 2.514 0.620) 9.382 8.075 ( 11.279 1.106 -22.269) 24.987 8.461 ( -2.890 -0.155 -0.740) 2.987 8.639 ( -1.394 -3.268 23.886) 24.149 8.959 ( 1.241 3.316 -17.324) 17.682 9.118 ( 1.450 11.588 -7.419) 13.836 9.324 ( -7.399 4.515 6.424) 10.789 9.519 ( -1.385 -7.043 34.027) 34.776 9.885 ( -3.580 8.692 9.165) 13.129 10.087 ( 8.398 1.358 -3.494) 9.196 10.665 ( -9.530 6.185 -8.599) 14.249 10.994 ( 15.093 -1.728 -0.575) 15.203 11.134 ( 2.340 6.999 3.864) 8.331 11.545 ( -5.522 10.154 -13.781) 17.987 11.694 ( 11.161 6.008 -5.525) 13.827 12.039 ( 5.042 -3.976 -13.007) 14.506 12.232 ( 0.657 15.130 13.081) 20.011 12.565 ( -2.280 -3.565 -0.523) 4.263 12.797 ( -7.970 2.692 4.937) 9.754 13.319 ( -10.456 -5.979 17.033) 20.862 13.875 ( 5.286 1.676 -10.553) 11.921 14.686 ( 8.949 -13.907 -3.612) 16.928 15.363 ( 2.646 4.176 -17.471) 18.157 15.655 ( 4.014 -4.198 -8.420) 10.229 16.278 ( -16.682 -10.632 -14.672) 24.629 17.488 ( 6.507 5.038 12.751) 15.176 17.902 ( 6.238 -6.536 -1.364) 9.138 18.350 ( 1.330 -4.082 -12.864) 13.562 18.621 ( -5.328 -4.222 -11.833) 13.646 19.470 ( -1.902 -4.495 3.719) 6.136 19.567 ( -0.204 -5.775 -2.806) 6.424 20.254 ( 0.241 16.043 18.245) 24.296 20.509 ( 2.888 10.032 2.743) 10.794 20.707 ( 1.008 0.216 7.964) 8.031 21.077 ( -6.991 2.578 3.286) 8.144 21.265 ( -4.267 0.464 1.328) 4.493 21.482 ( 4.799 -0.199 -3.890) 6.181 22.405 ( 3.000 0.605 -0.913) 3.193 22.483 ( -2.378 2.511 -1.662) 3.837 22.654 ( 0.897 -2.084 9.679) 9.941 23.237 ( 2.112 0.321 -14.975) 15.127 24.203 ( -8.168 -4.141 7.861) 12.069 24.333 ( 0.193 -7.078 -1.903) 7.332 24.892 ( 4.296 4.050 4.295) 7.301 25.203 ( -8.697 -0.296 -1.466) 8.825 25.592 ( 9.349 13.351 2.126) 16.437 25.640 ( -5.676 8.116 7.783) 12.596 26.889 ( -0.132 -3.490 3.887) 5.225 27.053 ( -2.459 -6.954 -2.431) 7.766 27.378 ( 7.917 -7.753 7.167) 13.197 28.038 ( -0.457 -1.698 -16.321) 16.416 ======================= Grid point 219 (117/144) ======================= q-point: (-0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.876 ( 2.048 -0.100 17.037) 17.160 3.051 ( -5.401 -11.223 2.711) 12.746 3.363 ( -6.320 -8.611 -9.289) 14.156 3.498 ( 1.695 -4.009 -10.803) 11.646 3.799 ( 9.015 4.649 10.529) 14.620 3.953 ( -12.809 13.323 11.497) 21.766 4.366 ( -11.191 -0.654 31.170) 33.124 4.545 ( -3.507 1.150 -4.639) 5.928 4.784 ( -2.054 3.511 4.648) 6.176 4.880 ( -2.977 -3.603 -18.331) 18.917 5.253 ( 8.066 -6.304 -2.895) 10.638 5.684 ( -4.763 2.274 17.968) 18.727 5.818 ( 2.228 2.107 10.431) 10.872 5.955 ( 1.662 -2.976 -10.537) 11.074 6.160 ( 7.152 4.753 -5.310) 10.096 6.284 ( -4.259 -9.284 -7.930) 12.931 6.658 ( -15.896 -29.366 9.750) 34.787 6.965 ( 8.723 -11.336 0.636) 14.318 7.090 ( -5.576 -8.655 13.312) 16.829 7.181 ( 4.313 4.518 12.984) 14.408 7.753 ( -6.076 5.803 7.783) 11.453 7.854 ( 5.346 -4.048 -6.869) 9.600 8.127 ( 11.284 0.264 -9.859) 14.987 8.464 ( 3.673 4.179 8.927) 10.519 8.739 ( 0.779 18.344 -0.872) 18.381 8.824 ( -7.715 -3.971 -22.985) 24.568 8.882 ( 7.837 5.659 22.289) 24.295 9.181 ( -13.878 3.433 15.909) 21.389 9.704 ( 1.797 -0.550 16.394) 16.502 9.768 ( -0.871 0.304 -8.617) 8.666 10.186 ( 1.726 1.276 13.946) 14.110 10.351 ( -14.482 4.347 -7.996) 17.105 10.928 ( 3.725 18.909 -10.859) 22.122 11.165 ( 2.385 -6.880 -12.340) 14.328 11.357 ( 3.213 4.150 -9.973) 11.269 11.633 ( 2.873 8.973 -13.771) 16.686 12.103 ( 3.162 7.300 16.125) 17.980 12.180 ( 8.120 -4.786 1.929) 9.621 12.589 ( -7.426 -6.611 -1.771) 10.099 12.721 ( -2.196 0.232 0.501) 2.265 13.391 ( -4.472 -6.209 15.897) 17.642 13.860 ( 1.394 1.192 -9.146) 9.328 14.912 ( 5.153 -5.405 -7.384) 10.502 15.264 ( 4.669 4.282 -20.288) 21.254 15.871 ( 15.315 -9.357 1.998) 18.058 16.177 ( -18.801 -7.197 -11.770) 23.319 17.525 ( 8.112 6.443 12.475) 16.216 18.020 ( -0.019 -1.383 -8.137) 8.254 18.357 ( 0.014 -3.351 -4.602) 5.693 18.598 ( -2.605 -4.801 -9.568) 11.018 19.537 ( -4.236 -6.995 6.806) 10.640 19.790 ( 6.518 -16.233 -3.911) 17.924 20.017 ( -3.656 16.098 12.773) 20.872 20.337 ( 3.060 16.317 0.115) 16.602 20.734 ( -2.483 0.145 5.576) 6.106 20.973 ( -1.619 3.137 -3.773) 5.167 21.266 ( -3.782 -4.376 8.520) 10.298 21.503 ( 1.437 -0.305 -3.145) 3.471 22.381 ( -4.177 1.091 1.393) 4.536 22.463 ( 6.068 2.173 -3.230) 7.209 22.717 ( -0.161 -1.046 9.134) 9.196 23.193 ( 1.626 1.203 -14.533) 14.673 24.241 ( -6.210 -6.695 9.603) 13.251 24.469 ( 3.234 -7.639 -0.974) 8.352 24.885 ( 3.240 5.964 8.450) 10.838 25.115 ( -7.380 -0.571 -2.138) 7.704 25.476 ( 2.330 9.048 4.855) 10.529 25.503 ( -3.431 3.896 4.163) 6.655 26.951 ( 0.289 -2.092 4.624) 5.084 27.089 ( -3.700 -2.752 -2.125) 5.078 27.627 ( 12.847 -6.097 0.927) 14.251 27.954 ( -4.549 2.420 -15.679) 16.504 ======================= Grid point 220 (118/144) ======================= q-point: (-0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( -9.248 -6.744 11.023) 15.891 3.306 ( 2.642 -10.397 0.704) 10.750 3.395 ( -2.455 -2.773 -4.524) 5.847 3.548 ( -5.032 -8.935 -7.235) 12.550 3.838 ( -1.502 -6.669 2.951) 7.446 3.875 ( 10.410 3.975 16.179) 19.645 4.326 ( -11.075 2.273 24.690) 27.155 4.505 ( 0.820 -0.160 -3.652) 3.747 4.724 ( -7.275 -4.316 1.631) 8.615 4.931 ( 8.931 -5.593 -13.398) 17.046 5.464 ( -0.066 -8.449 10.292) 13.315 5.544 ( -3.992 11.754 10.542) 16.286 5.687 ( -2.241 9.907 1.155) 10.222 6.058 ( -1.515 -7.171 2.273) 7.673 6.129 ( 2.353 3.580 -3.911) 5.800 6.306 ( -0.802 3.904 -1.819) 4.381 6.803 ( -16.899 -9.613 9.943) 21.837 7.094 ( -4.397 6.368 8.109) 11.209 7.170 ( 1.300 -4.195 14.001) 14.673 7.332 ( -1.462 -10.573 7.284) 12.922 7.629 ( 0.132 4.050 -9.700) 10.512 7.999 ( 16.776 1.722 -12.925) 21.247 8.269 ( 14.483 2.738 2.240) 14.908 8.427 ( -0.464 7.410 0.996) 7.491 8.472 ( -2.044 -0.046 4.902) 5.311 8.622 ( -9.676 12.049 9.566) 18.175 8.899 ( -3.119 -2.621 1.775) 4.444 9.243 ( 1.419 -3.703 17.083) 17.537 9.667 ( -7.331 3.047 0.391) 7.948 9.766 ( 5.717 3.000 -9.906) 11.824 10.002 ( -8.806 -1.051 14.629) 17.107 10.334 ( 1.307 6.289 -13.954) 15.362 10.719 ( 5.058 3.794 -3.528) 7.240 11.230 ( -3.379 -6.650 -8.422) 11.251 11.350 ( 8.643 2.066 -12.798) 15.581 11.433 ( -3.095 5.792 -13.845) 15.324 12.086 ( 1.451 4.959 14.507) 15.400 12.319 ( -0.156 -1.955 3.420) 3.942 12.663 ( -3.598 -10.641 0.454) 11.242 12.760 ( 4.115 -5.422 -2.300) 7.185 13.503 ( -1.063 -4.078 12.252) 12.956 13.799 ( -4.856 1.663 0.933) 5.217 14.868 ( -2.330 6.478 -17.082) 18.417 15.258 ( 13.614 1.823 -17.247) 22.049 16.033 ( -16.725 -5.853 -9.781) 20.240 16.258 ( 20.338 -10.957 3.765) 23.406 17.513 ( 1.405 8.790 9.635) 13.118 17.885 ( -4.762 3.269 -14.695) 15.789 18.503 ( 4.764 -7.364 2.762) 9.195 18.601 ( 0.051 0.750 -6.414) 6.458 19.656 ( -7.075 -9.417 12.806) 17.400 19.759 ( -3.068 11.385 8.325) 14.434 20.049 ( 2.570 16.644 -4.250) 17.369 20.171 ( 6.813 -16.572 -7.582) 19.456 20.684 ( -6.509 0.194 3.991) 7.638 20.932 ( 3.261 2.055 -4.319) 5.789 21.365 ( -2.920 -7.632 9.522) 12.547 21.520 ( -1.305 -2.460 -0.015) 2.785 22.330 ( -2.703 0.735 1.143) 3.026 22.472 ( 4.453 3.142 -3.644) 6.556 22.742 ( -1.899 0.267 8.134) 8.357 23.153 ( 3.996 1.199 -12.911) 13.569 24.331 ( -4.066 -6.639 10.175) 12.812 24.621 ( 3.822 -5.428 -0.587) 6.665 24.805 ( -2.590 7.591 9.466) 12.407 25.049 ( -1.695 0.321 -4.728) 5.033 25.429 ( -2.718 -1.813 6.579) 7.346 25.496 ( 0.036 -3.305 5.200) 6.161 26.988 ( -0.928 -0.355 4.531) 4.638 27.057 ( -2.428 1.106 -0.036) 2.668 27.742 ( -8.018 9.103 -13.411) 18.083 27.835 ( 14.074 -1.529 -4.934) 14.992 ======================= Grid point 224 (119/144) ======================= q-point: (-0.57 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( -4.877 0.000 29.926) 30.321 3.040 ( 1.900 -0.000 -16.688) 16.796 3.558 ( -16.186 0.000 11.560) 19.891 3.646 ( -7.927 0.000 -3.027) 8.486 3.993 ( 7.880 -0.000 12.711) 14.955 4.196 ( -19.378 0.000 32.916) 38.196 4.453 ( -20.364 0.000 -9.412) 22.434 4.641 ( -5.080 0.000 -3.632) 6.245 4.890 ( -2.078 0.000 -5.601) 5.974 4.948 ( 6.796 -0.000 -4.290) 8.037 5.128 ( 11.527 -0.000 -2.591) 11.815 5.304 ( 5.418 -0.000 8.790) 10.326 5.493 ( -2.237 0.000 -20.156) 20.280 5.695 ( -17.258 0.000 26.062) 31.258 5.929 ( -1.845 0.000 -7.943) 8.155 5.939 ( 1.318 -0.000 -13.559) 13.623 6.235 ( 1.312 -0.000 -12.580) 12.649 6.704 ( -5.801 0.000 -12.820) 14.071 6.729 ( 17.781 -0.000 15.486) 23.579 7.353 ( -7.812 0.000 31.115) 32.080 7.630 ( 17.840 -0.000 9.935) 20.420 7.924 ( -9.352 0.000 -20.877) 22.876 8.078 ( -0.965 0.000 -6.770) 6.838 8.371 ( -4.846 0.000 -22.134) 22.658 8.601 ( -2.266 0.000 29.417) 29.504 8.986 ( 5.070 -0.000 -3.958) 6.432 9.294 ( 13.108 -0.000 -9.465) 16.168 9.331 ( -3.903 0.000 29.371) 29.629 9.527 ( -13.500 0.000 12.770) 18.583 10.066 ( 11.740 -0.000 4.460) 12.559 10.180 ( -4.917 0.000 9.519) 10.714 10.753 ( 2.144 -0.000 -22.981) 23.081 10.960 ( 18.000 -0.000 8.304) 19.823 11.262 ( -5.873 0.000 14.504) 15.648 11.731 ( -6.499 0.000 -12.160) 13.788 11.908 ( 10.750 -0.000 -22.728) 25.142 11.914 ( 6.788 -0.000 4.113) 7.937 12.400 ( -7.527 0.000 -2.066) 7.806 12.704 ( 13.195 -0.000 9.785) 16.428 12.880 ( -12.957 0.000 14.334) 19.322 13.161 ( -16.284 0.000 16.645) 23.286 14.037 ( 12.456 -0.000 -35.292) 37.426 14.212 ( 4.599 -0.000 25.177) 25.594 15.505 ( -1.217 0.000 -27.376) 27.403 15.564 ( -3.631 0.000 -8.379) 9.132 16.017 ( -11.279 0.000 -15.388) 19.079 17.592 ( -1.584 0.000 6.820) 7.002 17.742 ( 11.232 -0.000 0.071) 11.232 18.318 ( 7.045 -0.000 -16.885) 18.296 18.423 ( -4.475 0.000 -9.497) 10.498 19.441 ( -5.583 0.000 4.687) 7.290 19.548 ( 0.585 -0.000 -3.741) 3.786 20.547 ( 3.057 -0.000 21.479) 21.695 20.623 ( 5.693 -0.000 1.771) 5.962 20.784 ( -5.198 0.000 9.830) 11.119 21.111 ( -9.139 0.000 13.193) 16.049 21.285 ( -6.982 0.000 -4.636) 8.381 21.485 ( 10.944 -0.000 -5.246) 12.136 22.422 ( 4.516 -0.000 -2.514) 5.169 22.497 ( -7.782 0.000 2.996) 8.339 22.636 ( 4.847 -0.000 5.963) 7.685 23.233 ( 1.763 -0.000 -15.619) 15.718 24.136 ( -10.781 0.000 6.683) 12.684 24.205 ( 2.965 -0.000 -3.337) 4.464 24.978 ( 3.982 -0.000 -1.140) 4.142 25.182 ( -11.503 0.000 -2.928) 11.869 25.811 ( -10.399 0.000 15.680) 18.815 25.918 ( 20.275 -0.000 -3.456) 20.568 26.797 ( -3.582 0.000 4.101) 5.445 26.885 ( 2.184 -0.000 -2.617) 3.409 27.200 ( 1.802 -0.000 14.349) 14.462 27.990 ( 1.068 -0.000 -17.919) 17.951 ======================= Grid point 225 (120/144) ======================= q-point: (-0.43 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( -3.190 4.352 12.303) 13.434 3.027 ( -17.905 1.333 4.565) 18.526 3.348 ( -0.016 6.237 2.790) 6.832 3.504 ( -3.407 3.650 0.394) 5.009 3.986 ( 0.949 8.288 8.025) 11.576 4.180 ( -19.124 -7.179 39.710) 44.656 4.478 ( -2.586 -8.495 -0.709) 8.908 4.508 ( -2.410 7.876 6.007) 10.194 4.801 ( -1.008 3.619 -5.229) 6.439 4.949 ( 2.737 3.441 -7.911) 9.051 5.206 ( 6.958 -0.185 -6.189) 9.314 5.394 ( -9.558 -10.483 3.258) 14.556 5.507 ( -4.445 -13.366 -7.655) 16.031 5.760 ( -7.277 -12.125 19.787) 24.320 5.913 ( 8.516 -4.054 -8.231) 12.518 6.110 ( 7.515 -6.811 -5.840) 11.704 6.192 ( -2.998 -2.239 -6.305) 7.332 6.569 ( -3.869 -1.270 -19.673) 20.090 7.081 ( 26.418 -0.386 16.441) 31.118 7.297 ( -8.130 4.356 16.942) 19.290 7.722 ( -16.351 -6.306 0.576) 17.534 7.825 ( 3.711 1.452 -2.339) 4.621 8.023 ( -3.885 -5.188 -14.178) 15.589 8.414 ( 16.658 -3.137 -13.572) 21.715 8.683 ( -1.223 0.449 23.195) 23.232 8.985 ( -0.815 1.847 -0.807) 2.174 9.256 ( -8.454 9.306 -8.069) 14.939 9.408 ( 2.671 3.768 6.374) 7.871 9.499 ( 0.825 -6.686 32.486) 33.177 10.045 ( -7.126 9.511 10.285) 15.717 10.183 ( 5.378 2.018 2.035) 6.094 10.664 ( -3.045 4.356 -10.569) 11.830 11.082 ( 2.039 2.253 3.104) 4.344 11.292 ( 8.724 2.644 6.697) 11.312 11.532 ( -7.878 3.970 -21.443) 23.187 11.898 ( 8.239 6.577 -9.884) 14.451 12.036 ( 7.737 -2.084 -0.120) 8.014 12.301 ( -8.388 0.897 -5.000) 9.806 12.706 ( 4.211 13.947 11.293) 18.433 12.778 ( -7.950 2.843 8.004) 11.634 13.170 ( -5.579 -9.084 16.575) 19.707 13.968 ( 9.149 7.323 -18.925) 22.259 14.526 ( 6.071 -16.816 9.089) 20.056 15.344 ( -4.644 2.419 -21.549) 22.176 15.583 ( 3.092 -6.040 -1.232) 6.896 15.925 ( -9.524 -7.161 -18.868) 22.316 17.620 ( 5.020 0.931 8.011) 9.500 17.895 ( 9.339 -4.904 -4.220) 11.361 18.281 ( -3.701 -0.201 -9.701) 10.385 18.421 ( -2.035 -5.863 -14.364) 15.648 19.413 ( -2.319 -1.993 3.645) 4.758 19.535 ( 1.429 1.273 -2.607) 3.234 20.542 ( -1.471 10.637 18.801) 21.652 20.681 ( 3.133 4.953 4.970) 7.684 20.746 ( 0.793 0.083 7.951) 7.990 21.047 ( -6.997 2.548 9.903) 12.390 21.206 ( -5.971 -1.354 -0.954) 6.196 21.552 ( 7.129 2.089 -7.389) 10.478 22.412 ( -5.917 0.880 2.088) 6.337 22.480 ( 4.291 -0.810 -2.452) 5.008 22.705 ( 3.685 0.162 7.190) 8.081 23.194 ( 0.502 -0.463 -16.035) 16.050 24.071 ( -8.839 -3.053 7.086) 11.733 24.275 ( 5.656 -3.483 -2.341) 7.043 24.995 ( 2.055 2.245 2.602) 4.004 25.076 ( -7.929 -1.856 -1.861) 8.354 25.684 ( -11.083 5.575 11.266) 16.758 25.976 ( 14.146 15.760 -2.325) 21.305 26.839 ( 0.474 -5.300 2.908) 6.064 26.944 ( 1.677 -4.404 -2.116) 5.165 27.337 ( 3.435 -8.399 11.899) 14.964 27.939 ( -1.832 -1.400 -17.555) 17.705 ======================= Grid point 226 (121/144) ======================= q-point: (-0.29 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -31.394 -3.535 1.171) 31.614 2.938 ( 4.104 -5.982 11.957) 13.986 3.362 ( 6.959 8.517 3.493) 11.540 3.500 ( 9.116 0.046 -2.355) 9.415 3.892 ( -8.272 2.553 13.031) 15.645 4.184 ( 2.773 8.361 29.268) 30.565 4.357 ( -5.975 3.290 10.755) 12.735 4.553 ( 0.867 2.590 7.591) 8.068 4.774 ( -5.157 4.447 -19.625) 20.773 4.813 ( -1.783 -1.539 2.859) 3.704 5.290 ( 10.366 -0.905 -6.961) 12.519 5.570 ( -5.144 -17.948 15.929) 24.542 5.673 ( -8.004 -8.779 4.575) 12.731 5.961 ( -4.867 -14.571 2.724) 15.602 6.056 ( -7.946 -18.568 -7.134) 21.420 6.123 ( 0.479 6.791 -4.842) 8.355 6.266 ( 7.529 -1.586 -2.644) 8.136 6.660 ( -0.747 -17.791 -2.473) 17.977 7.131 ( -5.185 0.432 11.302) 12.442 7.439 ( 19.028 6.792 7.339) 21.495 7.646 ( -13.326 -4.673 -1.713) 14.225 7.853 ( 7.618 -5.370 -5.028) 10.590 8.103 ( 5.197 -7.753 -7.572) 12.018 8.616 ( 5.675 3.457 9.322) 11.447 8.672 ( 2.130 0.169 -13.104) 13.277 8.886 ( -16.403 11.813 -7.544) 21.576 8.994 ( 2.475 -3.289 12.764) 13.411 9.349 ( -0.522 12.761 11.693) 17.316 9.707 ( -5.427 -3.322 26.720) 27.468 9.855 ( 4.109 8.055 -2.949) 9.511 10.184 ( -0.998 -2.381 1.470) 2.971 10.459 ( -5.385 14.806 12.706) 20.240 11.055 ( -0.579 -1.976 -11.637) 11.818 11.202 ( 1.479 16.794 -15.373) 22.816 11.410 ( 2.977 1.111 -5.919) 6.718 11.771 ( 0.862 10.802 -13.657) 17.434 12.159 ( -8.228 1.038 -4.191) 9.292 12.220 ( 10.507 -6.881 6.771) 14.268 12.529 ( -7.103 9.274 11.261) 16.225 12.727 ( 1.501 0.912 1.147) 2.097 13.345 ( 4.013 -5.932 13.870) 15.610 13.890 ( 3.209 4.967 -11.373) 12.819 14.821 ( 2.591 -9.167 -1.781) 9.692 15.234 ( -0.216 -2.800 -19.544) 19.745 15.824 ( 0.560 -9.611 -3.679) 10.306 15.875 ( 0.209 -9.693 -5.572) 11.182 17.713 ( 8.340 1.316 8.490) 11.974 18.006 ( 0.717 1.871 -12.033) 12.199 18.225 ( -6.374 -7.913 -1.697) 10.302 18.442 ( 0.114 -4.864 -11.062) 12.085 19.478 ( 1.226 -1.620 2.343) 3.101 19.586 ( 3.404 -10.165 -2.991) 11.129 20.325 ( -5.668 16.572 13.684) 22.226 20.614 ( 4.572 11.441 5.980) 13.695 20.750 ( -3.462 3.974 7.266) 8.977 20.973 ( -1.473 0.898 -0.907) 1.949 21.200 ( -3.315 -2.992 7.609) 8.823 21.532 ( 2.553 3.178 -6.839) 7.962 22.346 ( -5.048 0.295 1.841) 5.382 22.527 ( 4.458 0.317 -3.713) 5.811 22.756 ( 1.455 0.583 8.411) 8.556 23.157 ( 0.970 -0.839 -15.387) 15.440 24.096 ( -5.163 -6.517 8.395) 11.815 24.412 ( 6.372 -5.650 -0.866) 8.560 24.952 ( -7.585 -0.067 1.892) 7.818 25.066 ( 2.724 1.217 4.041) 5.023 25.500 ( -9.656 5.492 5.973) 12.613 25.784 ( 5.216 18.506 1.771) 19.309 26.939 ( 2.036 -3.147 3.616) 5.208 27.015 ( 0.416 -3.124 -1.166) 3.360 27.605 ( 7.744 -11.865 2.850) 14.452 27.866 ( -3.729 -0.445 -15.970) 16.405 ======================= Grid point 227 (122/144) ======================= q-point: (-0.14 -0.57 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -23.938 -13.225 10.342) 29.239 3.223 ( 6.271 -13.358 8.400) 16.980 3.290 ( -0.049 2.075 -2.935) 3.595 3.531 ( 5.180 5.299 -5.273) 9.095 3.857 ( 2.956 2.943 12.411) 13.093 4.177 ( 7.890 9.706 12.029) 17.354 4.351 ( -3.115 0.617 27.911) 28.091 4.468 ( -8.679 4.224 -15.441) 18.210 4.617 ( 2.399 -2.343 2.493) 4.179 4.931 ( 8.178 -5.203 -2.891) 10.115 5.403 ( 1.641 -3.090 4.959) 6.069 5.567 ( -16.204 -1.283 2.866) 16.505 5.808 ( -4.007 7.469 -0.697) 8.505 5.895 ( -1.668 -6.401 2.269) 6.993 6.206 ( -0.250 -0.206 -9.419) 9.425 6.253 ( 7.735 -13.862 -0.592) 15.885 6.414 ( -11.130 -14.707 16.403) 24.683 6.867 ( -9.891 -12.735 27.902) 32.226 7.242 ( 2.235 -3.647 5.403) 6.891 7.432 ( 3.055 5.159 4.107) 7.267 7.593 ( 1.682 -1.502 -20.279) 20.404 8.053 ( 8.796 -7.206 -11.334) 16.055 8.250 ( -3.368 0.996 0.814) 3.606 8.517 ( -7.627 5.042 3.049) 9.638 8.557 ( 5.478 -1.759 0.137) 5.755 8.671 ( -4.767 5.457 -7.006) 10.078 8.979 ( -6.270 16.368 0.988) 17.555 9.265 ( 4.608 -6.763 12.285) 14.761 9.733 ( 7.689 10.017 6.584) 14.241 9.802 ( -3.776 -2.612 13.625) 14.378 10.166 ( -0.961 13.221 11.015) 17.235 10.354 ( 2.718 -2.882 1.787) 4.345 10.880 ( 3.068 15.350 -8.703) 17.910 11.067 ( -2.174 -5.780 -12.462) 13.908 11.381 ( -0.163 2.160 -5.702) 6.100 11.526 ( 0.398 11.335 -14.863) 18.696 12.077 ( -8.407 -5.006 -6.936) 11.994 12.347 ( -7.219 7.604 9.275) 13.998 12.503 ( 8.308 -9.303 8.667) 15.189 12.766 ( 5.278 -1.199 -4.532) 7.059 13.522 ( 6.539 -2.729 12.031) 13.962 13.790 ( -4.564 4.110 -0.313) 6.150 14.843 ( -0.953 0.697 -15.403) 15.448 15.302 ( 7.362 -4.866 -16.407) 18.629 15.743 ( -11.694 -4.561 -11.742) 17.188 16.287 ( 17.354 -14.750 8.780) 24.410 17.699 ( -8.088 13.077 -2.123) 15.522 17.841 ( 1.575 0.499 -3.931) 4.264 18.413 ( 4.609 -11.523 3.525) 12.902 18.505 ( -0.167 -6.393 -10.045) 11.908 19.522 ( -0.785 -3.614 5.968) 7.021 19.858 ( 1.611 -12.326 -3.484) 12.910 20.044 ( -1.577 10.773 7.566) 13.259 20.398 ( 2.356 20.793 -2.800) 21.113 20.651 ( -6.687 2.185 8.729) 11.211 20.973 ( 3.025 -0.067 -4.197) 5.174 21.274 ( -1.141 -4.690 10.513) 11.569 21.491 ( -0.601 0.866 -2.363) 2.587 22.308 ( -2.543 -0.215 1.255) 2.844 22.528 ( 1.225 1.715 -4.948) 5.379 22.769 ( -1.496 1.562 8.818) 9.079 23.151 ( 4.109 -1.359 -13.714) 14.380 24.208 ( -2.146 -7.743 10.016) 12.841 24.577 ( 5.004 -6.172 0.964) 8.004 24.848 ( -8.827 2.748 0.509) 9.259 25.071 ( 2.046 3.563 6.095) 7.351 25.382 ( -5.500 -0.128 3.013) 6.273 25.588 ( 1.341 9.885 4.736) 11.043 26.987 ( -1.342 -0.193 3.784) 4.020 27.062 ( 3.429 -0.989 1.271) 3.788 27.691 ( -7.622 1.847 -13.694) 15.781 27.908 ( 10.883 -5.657 -5.061) 13.269 ======================= Grid point 232 (123/144) ======================= q-point: (-0.43 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -35.423 0.000 -0.898) 35.434 2.988 ( -10.290 0.000 19.172) 21.759 3.512 ( 6.654 -0.000 21.384) 22.395 3.533 ( 11.242 -0.000 7.566) 13.551 4.026 ( -4.414 0.000 15.734) 16.341 4.214 ( 5.758 -0.000 -7.957) 9.821 4.359 ( -6.090 0.000 32.361) 32.929 4.601 ( 2.692 -0.000 9.405) 9.783 4.800 ( -1.982 0.000 -0.864) 2.163 4.980 ( -2.070 0.000 -7.561) 7.839 5.153 ( -14.036 0.000 17.273) 22.257 5.294 ( 7.381 -0.000 -4.491) 8.640 5.313 ( 6.533 -0.000 -26.285) 27.085 5.642 ( -4.655 0.000 13.064) 13.868 5.870 ( -16.547 0.000 -18.153) 24.563 6.146 ( 7.375 -0.000 1.825) 7.598 6.155 ( 11.969 -0.000 12.939) 17.626 6.467 ( 1.479 -0.000 -33.923) 33.955 7.283 ( -14.925 0.000 26.717) 30.603 7.393 ( -13.134 0.000 -16.983) 21.469 7.550 ( 37.820 -0.000 15.427) 40.846 7.792 ( -14.467 0.000 -8.521) 16.790 7.921 ( 5.886 -0.000 -5.035) 7.746 8.580 ( 22.667 -0.000 -17.323) 28.529 8.735 ( -4.817 0.000 18.818) 19.425 8.993 ( -0.673 0.000 3.580) 3.643 9.129 ( -22.297 0.000 -5.939) 23.074 9.486 ( -6.686 0.000 41.361) 41.898 9.591 ( 15.082 -0.000 -8.483) 17.304 10.031 ( -12.249 0.000 9.865) 15.728 10.277 ( 2.048 -0.000 1.814) 2.736 10.637 ( -1.601 0.000 -8.755) 8.900 11.106 ( -6.678 0.000 13.624) 15.173 11.389 ( -5.195 0.000 -27.427) 27.915 11.463 ( 12.732 -0.000 2.546) 12.984 11.948 ( -1.009 0.000 -11.335) 11.380 12.131 ( 6.998 -0.000 10.091) 12.281 12.213 ( -2.783 0.000 -15.155) 15.409 12.754 ( -5.602 0.000 7.137) 9.074 12.944 ( -12.365 0.000 22.040) 25.272 13.069 ( 13.440 -0.000 5.535) 14.535 14.145 ( 17.571 -0.000 -32.066) 36.564 14.414 ( -3.293 0.000 25.952) 26.160 15.222 ( -6.753 0.000 -19.963) 21.074 15.569 ( 5.621 -0.000 5.395) 7.791 15.727 ( -4.637 0.000 -20.764) 21.275 17.736 ( 10.849 -0.000 3.783) 11.490 17.923 ( 8.299 -0.000 -7.593) 11.248 18.094 ( -18.496 0.000 -8.965) 20.554 18.395 ( 6.570 -0.000 -11.101) 12.900 19.380 ( -2.341 0.000 4.440) 5.019 19.578 ( 4.356 -0.000 -1.967) 4.780 20.587 ( -11.695 0.000 7.508) 13.898 20.790 ( 1.357 -0.000 17.619) 17.671 20.835 ( 9.739 -0.000 6.230) 11.561 21.079 ( -3.069 0.000 15.086) 15.395 21.088 ( -7.310 0.000 -6.274) 9.633 21.616 ( 5.062 -0.000 -9.646) 10.894 22.351 ( -6.321 0.000 2.405) 6.763 22.525 ( 5.243 -0.000 -2.130) 5.659 22.766 ( 2.564 -0.000 6.596) 7.077 23.135 ( -0.064 0.000 -16.529) 16.529 23.980 ( -6.509 0.000 7.246) 9.740 24.317 ( 7.452 -0.000 -1.601) 7.622 24.938 ( -9.023 0.000 -0.098) 9.024 25.077 ( 4.548 -0.000 2.814) 5.348 25.628 ( -13.591 0.000 10.443) 17.140 26.315 ( 18.095 -0.000 -8.808) 20.125 26.762 ( -2.040 0.000 3.351) 3.923 26.941 ( 4.801 -0.000 -2.874) 5.595 27.316 ( -0.845 0.000 15.773) 15.795 27.840 ( -3.250 0.000 -17.462) 17.762 ======================= Grid point 233 (124/144) ======================= q-point: (-0.29 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -32.286 -2.498 9.181) 33.659 2.938 ( -6.818 -1.423 24.567) 25.535 3.653 ( 9.577 10.300 -2.100) 14.221 3.703 ( 18.114 4.120 14.161) 23.358 3.934 ( 3.496 5.109 11.086) 12.697 4.286 ( -3.983 -3.490 17.533) 18.316 4.440 ( -1.093 1.815 15.011) 15.160 4.648 ( 1.142 -4.804 6.783) 8.390 4.760 ( 4.225 7.962 1.912) 9.214 4.800 ( -7.854 9.481 -5.316) 13.410 5.208 ( -5.208 -11.272 17.252) 21.256 5.401 ( 7.304 -4.872 -10.336) 13.562 5.505 ( -2.515 -5.915 -7.475) 9.859 5.625 ( -5.478 -15.598 -11.079) 19.901 5.743 ( -3.388 -10.661 15.260) 18.921 6.286 ( 3.467 5.432 -17.069) 18.244 6.315 ( 9.038 -0.746 1.438) 9.182 6.406 ( 3.276 -11.520 2.013) 12.145 7.100 ( -13.740 3.204 12.292) 18.712 7.367 ( -8.860 -9.456 -7.425) 14.935 7.587 ( -10.474 0.160 -6.916) 12.552 7.925 ( 14.665 1.359 -8.278) 16.895 8.124 ( 27.213 -6.529 10.221) 29.794 8.669 ( -9.098 3.315 4.283) 10.588 8.724 ( 6.347 0.405 -11.836) 13.436 8.768 ( -26.235 6.228 -4.297) 27.305 9.041 ( 7.893 -0.349 8.773) 11.806 9.521 ( -0.777 4.682 15.724) 16.425 9.705 ( -2.298 0.264 13.105) 13.307 9.942 ( 0.088 -1.581 -0.741) 1.748 10.208 ( -4.151 5.585 2.984) 7.571 10.572 ( -5.178 2.816 3.306) 6.758 11.018 ( -6.548 3.792 1.186) 7.659 11.276 ( -1.769 0.453 -21.942) 22.017 11.527 ( 6.568 7.273 1.020) 9.852 11.853 ( -3.948 3.352 -5.952) 7.890 12.090 ( -0.836 6.205 -19.764) 20.732 12.248 ( 1.888 -3.670 11.546) 12.261 12.666 ( -3.691 8.259 10.535) 13.886 12.815 ( 2.175 6.752 8.237) 10.871 13.340 ( 8.633 -9.582 8.185) 15.275 14.050 ( 6.865 13.292 -11.214) 18.697 14.655 ( 1.338 -15.584 4.384) 16.244 15.095 ( -3.347 -1.548 -18.734) 19.094 15.639 ( -3.744 -2.043 -17.512) 18.024 15.801 ( 12.618 -12.015 11.316) 20.776 17.858 ( 11.899 1.873 0.801) 12.072 17.859 ( -20.762 -2.224 -8.329) 22.480 18.069 ( 8.425 -8.710 -7.875) 14.452 18.409 ( 2.577 1.000 -6.433) 7.002 19.421 ( 0.781 -5.630 2.908) 6.384 19.603 ( 5.579 2.989 -1.216) 6.445 20.429 ( -11.895 5.537 6.197) 14.511 20.787 ( -4.519 5.698 14.935) 16.611 20.913 ( 7.244 9.036 5.928) 13.010 20.962 ( -2.730 -0.083 -3.400) 4.362 21.158 ( 1.273 -3.147 10.972) 11.485 21.586 ( 1.315 3.389 -10.158) 10.789 22.301 ( -4.083 -0.099 2.245) 4.660 22.561 ( 2.604 0.518 -2.845) 3.891 22.803 ( 0.285 0.422 7.038) 7.056 23.093 ( 0.861 -1.501 -15.560) 15.656 23.992 ( -2.137 -4.366 8.414) 9.718 24.417 ( 6.461 -2.853 0.082) 7.063 24.856 ( -6.830 -0.303 0.492) 6.855 25.143 ( 4.699 0.057 5.731) 7.412 25.474 ( -12.870 3.648 6.793) 15.002 26.188 ( 6.160 23.413 -3.349) 24.440 26.889 ( 2.226 -7.986 0.583) 8.311 27.009 ( 6.375 -1.493 -2.562) 7.031 27.461 ( 0.203 -12.091 8.527) 14.797 27.754 ( -3.430 -1.861 -15.596) 16.077 ======================= Grid point 234 (125/144) ======================= q-point: (-0.14 -0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -15.645 -9.823 23.698) 30.047 3.093 ( -0.223 -11.984 19.916) 23.245 3.435 ( 2.207 14.983 -8.409) 17.322 3.757 ( 11.859 13.283 -3.741) 18.195 4.052 ( 9.344 4.206 21.746) 24.039 4.294 ( -3.234 -1.699 8.644) 9.384 4.391 ( -9.829 13.967 -17.744) 24.628 4.507 ( -0.772 -1.060 28.900) 28.930 4.756 ( 16.401 6.655 -1.283) 17.746 4.887 ( 3.696 -8.436 4.016) 10.048 5.238 ( -21.183 -9.389 -5.823) 23.891 5.411 ( 1.799 -0.355 -1.859) 2.611 5.657 ( 5.065 -17.530 10.716) 21.161 5.891 ( -6.003 -1.611 -7.618) 9.832 6.043 ( -2.663 -2.233 9.497) 10.113 6.143 ( 14.530 -12.854 5.002) 20.034 6.406 ( 0.402 2.932 12.490) 12.836 6.684 ( -3.093 -11.691 13.553) 18.164 7.073 ( -5.486 -15.716 6.136) 17.741 7.389 ( -7.962 -5.444 -0.249) 9.649 7.528 ( 4.260 -3.019 -25.238) 25.772 8.017 ( 7.213 -2.774 -11.331) 13.716 8.296 ( -19.722 11.108 -0.399) 22.639 8.466 ( -6.205 2.358 12.673) 14.306 8.569 ( 3.780 -2.233 7.596) 8.773 8.677 ( 1.698 2.771 -13.191) 13.585 9.137 ( 0.095 6.841 7.397) 10.075 9.370 ( 2.856 10.312 -2.910) 11.089 9.744 ( 0.375 -6.028 15.390) 16.532 10.008 ( 6.139 5.871 0.811) 8.533 10.175 ( -1.226 -7.447 -2.499) 7.950 10.434 ( -8.499 8.432 14.455) 18.769 10.918 ( -4.692 -2.231 -11.465) 12.587 11.134 ( 1.603 9.229 -10.829) 14.319 11.410 ( -1.542 7.832 0.402) 7.993 11.719 ( 4.204 11.820 -6.431) 14.098 11.891 ( -6.568 3.025 -17.385) 18.829 12.305 ( -9.392 -2.337 11.728) 15.206 12.620 ( 6.243 3.172 13.412) 15.130 12.813 ( 7.671 1.864 -7.087) 10.609 13.584 ( 6.754 -5.852 8.897) 12.610 13.865 ( -1.568 10.681 0.238) 10.798 14.800 ( 3.209 -1.540 -12.427) 12.926 15.147 ( 0.824 -12.304 -14.650) 19.149 15.581 ( -1.469 -0.909 -12.130) 12.253 16.246 ( 15.729 -16.336 12.610) 25.948 17.608 ( -20.431 1.821 -10.300) 22.952 17.958 ( 8.955 1.203 1.789) 9.211 18.295 ( 7.942 -10.150 -9.184) 15.826 18.407 ( 0.152 -1.686 2.587) 3.092 19.555 ( 3.863 -0.245 1.671) 4.216 19.661 ( 4.810 -10.155 -2.868) 11.597 20.192 ( -10.781 10.858 7.430) 17.010 20.624 ( -8.993 8.589 1.274) 12.501 20.788 ( 4.843 13.921 7.782) 16.667 20.962 ( 0.189 -0.811 -3.889) 3.977 21.273 ( 4.543 -1.874 10.561) 11.649 21.506 ( -0.920 2.716 -4.755) 5.553 22.281 ( -1.702 -0.608 1.651) 2.448 22.535 ( -1.711 1.748 -3.892) 4.597 22.802 ( -2.392 1.369 7.621) 8.104 23.110 ( 3.800 -3.398 -13.584) 14.509 24.118 ( 1.501 -6.965 10.249) 12.482 24.542 ( 3.430 -4.857 2.838) 6.589 24.786 ( -5.160 1.136 -0.791) 5.343 25.183 ( 0.946 4.011 7.344) 8.421 25.328 ( -6.554 0.246 3.610) 7.487 25.844 ( -0.877 20.039 2.133) 20.171 26.975 ( -0.642 -1.526 2.756) 3.215 27.114 ( 9.072 -1.406 -0.778) 9.213 27.555 ( -7.602 -2.600 -11.217) 13.798 27.843 ( 5.830 -11.707 -5.925) 14.358 ======================= Grid point 240 (126/144) ======================= q-point: (-0.29 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -20.098 0.000 24.956) 32.042 2.908 ( -10.935 0.000 32.314) 34.114 3.870 ( 11.023 -0.000 -9.704) 14.686 3.990 ( 17.397 -0.000 14.653) 22.746 4.077 ( 4.519 -0.000 0.911) 4.610 4.311 ( 7.147 -0.000 14.094) 15.803 4.451 ( -6.863 0.000 32.226) 32.949 4.602 ( -1.678 0.000 -4.445) 4.751 4.772 ( -8.415 0.000 -0.804) 8.454 5.043 ( -2.863 0.000 7.924) 8.425 5.142 ( 4.658 -0.000 14.037) 14.790 5.212 ( -6.273 0.000 -11.179) 12.819 5.483 ( 11.286 -0.000 -3.252) 11.745 5.488 ( 13.822 -0.000 -3.831) 14.343 5.713 ( 6.272 -0.000 10.666) 12.373 6.177 ( -4.730 0.000 -25.286) 25.724 6.439 ( 9.691 -0.000 2.571) 10.027 6.473 ( 6.241 -0.000 19.383) 20.363 6.940 ( -27.566 0.000 13.950) 30.895 7.214 ( 2.906 -0.000 -16.232) 16.490 7.409 ( -12.234 0.000 -5.129) 13.266 7.975 ( 6.234 -0.000 -14.735) 16.000 8.419 ( -15.825 0.000 12.276) 20.028 8.543 ( 4.213 -0.000 8.780) 9.738 8.632 ( -0.523 0.000 3.074) 3.119 8.707 ( 1.498 -0.000 -18.903) 18.962 9.185 ( 13.687 -0.000 -0.170) 13.688 9.607 ( -6.118 0.000 33.968) 34.514 9.734 ( 3.550 -0.000 -16.806) 17.177 9.867 ( -7.181 0.000 8.453) 11.092 10.182 ( -8.552 0.000 -1.009) 8.612 10.527 ( -2.993 0.000 -7.448) 8.026 10.974 ( -14.496 0.000 13.114) 19.548 11.174 ( 1.366 -0.000 -26.957) 26.991 11.667 ( 3.659 -0.000 2.639) 4.512 11.784 ( -7.379 0.000 -0.911) 7.435 12.128 ( 7.277 -0.000 -23.467) 24.569 12.218 ( -8.058 0.000 12.228) 14.644 12.762 ( 3.802 -0.000 7.918) 8.784 13.002 ( 5.473 -0.000 13.409) 14.483 13.315 ( 5.519 -0.000 1.768) 5.796 14.343 ( 17.889 -0.000 -30.313) 35.198 14.402 ( -13.330 0.000 26.426) 29.598 14.992 ( -0.665 0.000 -24.137) 24.146 15.598 ( 5.320 -0.000 -9.751) 11.108 15.894 ( 16.581 -0.000 15.913) 22.981 17.556 ( -24.129 0.000 -3.465) 24.377 18.000 ( 3.210 -0.000 -11.505) 11.944 18.070 ( 16.932 -0.000 -1.707) 17.018 18.432 ( 3.401 -0.000 -7.200) 7.962 19.387 ( -0.597 0.000 4.598) 4.636 19.700 ( 6.701 -0.000 -1.328) 6.832 20.355 ( -11.459 0.000 6.438) 13.144 20.824 ( -9.278 0.000 14.531) 17.240 20.857 ( -7.936 0.000 -8.140) 11.368 21.118 ( 10.182 -0.000 6.178) 11.909 21.235 ( 8.618 -0.000 12.851) 15.473 21.575 ( -1.456 0.000 -12.312) 12.398 22.273 ( -2.284 0.000 2.359) 3.284 22.572 ( -0.401 0.000 -3.213) 3.238 22.821 ( -1.890 0.000 6.895) 7.149 23.038 ( 1.452 -0.000 -14.321) 14.394 23.985 ( 2.132 -0.000 9.376) 9.615 24.456 ( 3.862 -0.000 2.249) 4.470 24.807 ( -2.461 0.000 0.289) 2.478 25.216 ( 4.749 -0.000 7.456) 8.840 25.375 ( -13.475 0.000 5.398) 14.516 26.540 ( 8.328 -0.000 -15.161) 17.298 26.745 ( -1.553 0.000 3.100) 3.468 27.080 ( 10.240 -0.000 -4.034) 11.006 27.367 ( -4.448 0.000 15.972) 16.580 27.633 ( -4.656 0.000 -16.170) 16.827 ======================= Grid point 241 (127/144) ======================= q-point: (-0.14 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -1.855 -5.980 35.713) 36.258 2.980 ( -5.367 -7.749 29.882) 31.333 3.714 ( 5.798 17.277 -13.269) 22.543 4.106 ( 5.863 9.675 -9.590) 14.831 4.258 ( 14.031 -4.912 6.504) 16.227 4.334 ( 1.793 12.060 13.254) 18.009 4.428 ( -15.303 7.393 13.690) 21.823 4.507 ( -2.032 -3.596 8.801) 9.722 4.781 ( -12.702 0.394 -7.166) 14.589 4.884 ( 2.578 -12.307 4.561) 13.376 5.112 ( 15.518 9.420 3.807) 18.548 5.489 ( 11.118 4.806 5.897) 13.472 5.556 ( 11.204 -11.179 5.433) 16.734 5.768 ( 0.163 -6.565 10.071) 12.023 6.003 ( -2.893 0.165 -7.710) 8.236 6.129 ( 18.350 -19.947 3.901) 27.382 6.536 ( -3.868 5.109 22.711) 23.598 6.551 ( 0.860 -2.022 5.601) 6.017 6.739 ( -13.567 -11.265 -0.809) 17.653 7.229 ( -1.633 -4.834 -1.189) 5.239 7.374 ( -2.659 -8.665 -13.283) 16.081 8.004 ( 6.539 -1.437 -19.227) 20.359 8.135 ( -24.704 2.185 14.345) 28.650 8.402 ( -18.219 2.401 8.150) 20.103 8.627 ( -5.162 2.490 -10.550) 12.006 8.858 ( 22.116 5.357 5.255) 23.354 9.289 ( 5.143 5.706 0.535) 7.700 9.514 ( -5.678 9.280 -5.545) 12.211 9.720 ( 0.136 -4.285 19.347) 19.816 9.938 ( -3.436 -11.079 -8.466) 14.360 10.092 ( -1.734 0.880 -2.766) 3.381 10.470 ( -1.814 1.652 -4.651) 5.258 10.807 ( -15.127 2.035 4.010) 15.781 11.116 ( 1.254 -0.650 -19.171) 19.223 11.582 ( -0.797 9.552 2.831) 9.995 11.736 ( -4.878 -0.053 -2.936) 5.694 12.043 ( 4.687 10.677 -14.180) 18.358 12.195 ( -7.350 -3.283 10.300) 13.073 12.799 ( 3.947 6.292 14.140) 15.972 12.969 ( 8.993 9.292 -4.424) 13.667 13.514 ( 1.919 -11.583 5.219) 12.849 14.076 ( -2.950 15.893 3.780) 16.601 14.692 ( 3.671 -16.931 -8.680) 19.377 14.933 ( 1.747 -2.825 -23.827) 24.057 15.634 ( 11.718 4.441 -4.623) 13.357 16.255 ( 18.227 -10.490 15.468) 26.106 17.327 ( -20.512 -3.531 -1.940) 20.904 17.984 ( -1.179 -2.558 -8.324) 8.787 18.270 ( 13.324 -3.044 -5.489) 14.728 18.445 ( 4.397 0.889 -3.518) 5.701 19.457 ( 0.088 -8.161 2.110) 8.430 19.731 ( 5.754 3.846 -1.557) 7.094 20.225 ( -10.147 5.215 9.716) 14.985 20.648 ( -9.271 6.818 1.131) 11.564 20.817 ( -7.631 -3.614 0.032) 8.444 21.148 ( 7.841 10.964 0.702) 13.497 21.380 ( 9.574 0.498 9.748) 13.673 21.504 ( -1.879 1.047 -5.985) 6.359 22.265 ( -0.844 -0.376 1.925) 2.135 22.521 ( -3.945 1.619 -3.470) 5.498 22.808 ( -3.646 0.603 7.004) 7.919 23.046 ( 3.253 -3.321 -12.247) 13.099 24.099 ( 5.147 -4.238 10.716) 12.621 24.517 ( 0.918 -2.697 5.061) 5.808 24.783 ( 0.103 1.874 -0.985) 2.120 25.223 ( -9.544 2.348 2.542) 10.152 25.306 ( 2.835 -0.466 9.455) 9.882 26.207 ( -1.808 26.111 -3.664) 26.428 26.915 ( 0.336 -7.990 -1.149) 8.079 27.205 ( 12.554 -1.505 -4.402) 13.389 27.391 ( -7.692 -2.664 -1.419) 8.263 27.638 ( -1.069 -13.011 -7.136) 14.878 ======================= Grid point 248 (128/144) ======================= q-point: (-0.14 -0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 9.629 -0.000 38.460) 39.647 2.967 ( -4.149 0.000 33.607) 33.862 3.968 ( 5.914 -0.000 -18.489) 19.412 3.994 ( -2.304 0.000 -15.655) 15.823 4.319 ( -8.883 0.000 -16.269) 18.536 4.403 ( -13.061 0.000 30.107) 32.818 4.458 ( 6.072 -0.000 14.128) 15.378 4.509 ( -3.177 0.000 -0.722) 3.258 4.804 ( 3.290 -0.000 22.931) 23.166 4.857 ( 12.893 -0.000 -0.305) 12.896 5.387 ( 9.388 -0.000 -3.888) 10.161 5.508 ( 8.807 -0.000 -2.563) 9.173 5.790 ( 14.476 -0.000 16.632) 22.049 5.813 ( -3.298 0.000 -24.645) 24.865 5.998 ( 6.351 -0.000 19.264) 20.284 6.065 ( 20.481 -0.000 13.258) 24.398 6.321 ( -27.678 0.000 1.355) 27.712 6.638 ( 0.634 -0.000 9.193) 9.215 6.683 ( 4.172 -0.000 5.595) 6.979 7.206 ( -4.691 0.000 7.094) 8.505 7.237 ( 12.263 -0.000 -7.288) 14.265 7.987 ( -16.075 0.000 26.028) 30.592 7.988 ( 4.668 -0.000 -22.051) 22.539 8.230 ( -21.127 0.000 11.619) 24.111 8.534 ( -6.763 0.000 -11.182) 13.068 9.117 ( 7.125 -0.000 9.803) 12.118 9.397 ( 0.367 -0.000 -34.261) 34.263 9.440 ( -6.521 0.000 -2.572) 7.010 9.740 ( -2.007 0.000 22.420) 22.510 9.786 ( -2.657 0.000 4.524) 5.246 10.095 ( 6.181 -0.000 -9.705) 11.506 10.443 ( 2.420 -0.000 -15.525) 15.713 10.644 ( -19.791 0.000 7.969) 21.335 11.074 ( 3.216 -0.000 -21.269) 21.511 11.663 ( -1.472 0.000 -0.950) 1.752 11.670 ( -4.677 0.000 3.946) 6.119 12.054 ( -12.527 0.000 15.646) 20.043 12.182 ( 7.714 -0.000 -15.006) 16.872 12.949 ( 6.521 -0.000 7.282) 9.775 13.251 ( 8.421 -0.000 4.982) 9.784 13.325 ( -4.220 0.000 -1.233) 4.396 14.220 ( -18.324 0.000 27.296) 32.876 14.439 ( 8.830 -0.000 -33.205) 34.359 14.909 ( 10.163 -0.000 -24.647) 26.660 15.873 ( 20.185 -0.000 1.544) 20.244 16.433 ( 17.322 -0.000 14.053) 22.306 17.101 ( -11.941 0.000 4.412) 12.730 17.864 ( -8.966 0.000 -9.132) 12.798 18.380 ( 11.762 -0.000 -7.778) 14.102 18.484 ( 5.934 -0.000 -9.218) 10.963 19.386 ( -2.253 0.000 5.294) 5.753 19.808 ( 3.036 -0.000 -2.482) 3.922 20.211 ( -8.105 0.000 14.220) 16.367 20.643 ( -4.482 0.000 -8.634) 9.728 20.660 ( -10.112 0.000 8.020) 12.906 21.292 ( 1.509 -0.000 -11.604) 11.702 21.483 ( 1.369 -0.000 3.361) 3.629 21.541 ( 10.761 -0.000 7.414) 13.068 22.262 ( -0.337 0.000 1.743) 1.776 22.466 ( -5.795 0.000 -3.278) 6.658 22.792 ( -4.224 0.000 6.793) 8.000 23.016 ( 3.794 -0.000 -10.310) 10.986 24.170 ( 6.794 -0.000 11.244) 13.137 24.518 ( -0.085 0.000 6.276) 6.277 24.816 ( 2.775 -0.000 -1.710) 3.259 25.127 ( -10.064 0.000 1.130) 10.127 25.390 ( 4.503 -0.000 12.597) 13.378 26.477 ( -3.240 0.000 -16.685) 16.997 26.740 ( -0.798 0.000 3.670) 3.755 27.290 ( 6.315 -0.000 -9.946) 11.781 27.333 ( -7.965 0.000 14.632) 16.659 27.452 ( 2.599 -0.000 -12.231) 12.504 ======================= Grid point 249 (129/144) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -8.685 0.000 -23.922) 25.450 3.187 ( 8.685 -0.000 23.922) 25.450 3.587 ( 1.072 -0.000 -15.811) 15.847 3.587 ( -1.072 0.000 15.811) 15.847 4.325 ( -19.419 0.000 2.743) 19.612 4.325 ( 19.419 -0.000 -2.743) 19.612 4.705 ( -4.148 0.000 -7.964) 8.980 4.705 ( 4.148 -0.000 7.964) 8.980 5.106 ( 0.953 -0.000 -15.406) 15.436 5.106 ( -0.953 0.000 15.406) 15.436 5.346 ( -5.602 0.000 0.406) 5.617 5.346 ( 5.602 -0.000 -0.406) 5.617 5.649 ( 2.601 -0.000 -21.170) 21.329 5.649 ( -2.601 0.000 21.170) 21.329 6.379 ( 5.411 -0.000 -21.593) 22.260 6.379 ( -5.411 0.000 21.593) 22.260 6.503 ( 6.938 -0.000 -2.558) 7.394 6.503 ( -6.938 0.000 2.558) 7.394 7.143 ( -8.628 0.000 -21.176) 22.867 7.143 ( 8.628 -0.000 21.177) 22.867 7.780 ( 6.462 -0.000 -17.991) 19.116 7.780 ( -6.462 0.000 17.991) 19.116 8.178 ( -3.607 0.000 -28.830) 29.055 8.178 ( 3.607 -0.000 28.830) 29.055 8.621 ( -18.716 0.000 -5.677) 19.558 8.621 ( 18.716 -0.000 5.677) 19.558 9.412 ( 0.061 -0.000 -20.599) 20.599 9.412 ( -0.061 0.000 20.599) 20.599 9.504 ( 11.760 -0.000 -21.885) 24.844 9.504 ( -11.760 0.000 21.885) 24.844 10.235 ( 5.126 -0.000 -9.973) 11.213 10.235 ( -5.126 0.000 9.973) 11.213 10.575 ( 9.405 -0.000 -19.775) 21.898 10.575 ( -9.405 0.000 19.775) 21.898 11.707 ( 5.967 -0.000 -5.162) 7.890 11.707 ( -5.967 0.000 5.162) 7.890 12.128 ( 8.432 -0.000 -6.741) 10.796 12.128 ( -8.432 0.000 6.741) 10.796 13.118 ( -9.185 0.000 0.959) 9.235 13.118 ( 9.185 -0.000 -0.959) 9.235 13.736 ( 3.522 -0.000 -27.293) 27.519 13.736 ( -3.522 0.000 27.293) 27.519 14.566 ( 17.707 -0.000 -28.503) 33.555 14.566 ( -17.707 0.000 28.503) 33.555 16.481 ( -19.792 0.000 -2.246) 19.919 16.481 ( 19.792 -0.000 2.246) 19.919 17.432 ( -20.095 0.000 -1.139) 20.127 17.432 ( 20.095 -0.000 1.139) 20.127 18.360 ( 2.939 -0.000 -4.912) 5.725 18.360 ( -2.939 0.000 4.912) 5.725 19.621 ( -4.030 0.000 -9.235) 10.075 19.621 ( 4.030 -0.000 9.235) 10.075 20.436 ( 10.142 -0.000 -13.165) 16.619 20.436 ( -10.142 0.000 13.165) 16.619 20.792 ( -3.356 0.000 -13.490) 13.901 20.792 ( 3.356 -0.000 13.490) 13.901 21.703 ( -0.331 0.000 -3.027) 3.045 21.703 ( 0.331 -0.000 3.027) 3.045 22.314 ( -1.842 0.000 -1.774) 2.557 22.314 ( 1.842 -0.000 1.774) 2.557 22.886 ( 4.911 -0.000 -8.131) 9.499 22.886 ( -4.911 0.000 8.131) 9.499 24.527 ( -3.208 0.000 -5.034) 5.969 24.527 ( 3.208 -0.000 5.034) 5.969 24.917 ( -5.955 0.000 -2.429) 6.431 24.917 ( 5.955 -0.000 2.429) 6.431 25.915 ( -6.877 0.000 -16.698) 18.059 25.915 ( 6.877 -0.000 16.698) 18.059 26.913 ( -3.179 0.000 -9.102) 9.641 26.913 ( 3.179 -0.000 9.102) 9.641 27.453 ( 13.018 -0.000 -12.009) 17.711 27.453 ( -13.018 0.000 12.009) 17.711 ======================= Grid point 251 (130/144) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( -6.384 -2.271 -25.519) 26.403 3.365 ( 8.700 2.005 20.981) 22.802 3.546 ( 3.091 0.461 -16.074) 16.375 3.572 ( -1.312 5.900 10.616) 12.216 4.161 ( -18.079 -5.249 9.280) 20.988 4.373 ( -5.563 21.103 -6.957) 22.906 4.504 ( 3.230 5.844 7.793) 10.262 4.727 ( 2.334 -0.845 -3.258) 4.096 4.954 ( 12.365 12.901 -14.703) 23.141 5.028 ( -0.372 10.403 19.779) 22.352 5.290 ( -8.595 -3.752 -1.522) 9.501 5.421 ( 2.375 -4.029 -1.000) 4.783 5.802 ( -5.022 -16.143 -6.415) 18.082 5.958 ( 5.414 -17.564 15.809) 24.243 6.102 ( -5.101 10.529 -8.111) 14.236 6.216 ( -0.636 11.602 -1.724) 11.747 6.624 ( -10.974 -18.703 2.296) 21.807 6.859 ( 10.093 -18.541 -3.089) 21.335 6.987 ( -4.794 -0.003 -21.942) 22.459 7.288 ( 2.052 -1.670 11.703) 11.998 7.659 ( -9.996 2.548 -1.072) 10.371 7.731 ( -5.826 -0.152 -9.228) 10.915 8.150 ( 6.288 -0.590 -14.160) 15.504 8.355 ( -12.896 -3.692 14.494) 19.749 8.499 ( 10.766 -4.250 13.039) 17.435 8.776 ( 10.037 0.583 -10.855) 14.796 9.255 ( -3.868 7.553 -15.316) 17.510 9.389 ( 1.532 3.565 0.475) 3.909 9.598 ( 2.177 -3.179 21.382) 21.727 9.642 ( 9.168 -2.492 10.784) 14.372 10.155 ( -0.134 4.616 5.708) 7.343 10.170 ( 1.191 6.191 -6.350) 8.948 10.629 ( -2.675 -6.162 6.344) 9.240 10.735 ( 11.578 -7.930 -6.554) 15.488 11.571 ( -4.390 10.135 4.736) 12.018 11.657 ( 5.208 10.479 -3.254) 12.146 12.105 ( -7.744 -4.626 2.238) 9.294 12.235 ( 6.277 -3.658 -4.698) 8.652 12.950 ( -8.582 8.058 3.898) 12.401 13.092 ( 6.214 11.831 -4.252) 14.023 13.743 ( 3.302 -5.402 -17.707) 18.805 13.784 ( -5.318 -0.039 22.198) 22.826 14.525 ( -14.996 -5.897 23.136) 28.194 14.735 ( 17.689 -7.438 -24.106) 30.811 16.145 ( -20.731 10.035 -6.813) 24.018 16.615 ( 17.480 7.089 -1.528) 18.925 17.280 ( -17.400 -7.568 -2.875) 19.191 17.674 ( 13.498 -4.034 1.940) 14.220 18.387 ( -4.781 -5.232 2.535) 7.527 18.433 ( 0.444 -8.340 -1.233) 8.442 19.566 ( -2.938 -2.504 -5.942) 7.086 19.683 ( 1.586 0.111 6.544) 6.734 20.346 ( -4.055 6.416 13.421) 15.418 20.429 ( 8.006 8.844 -15.173) 19.301 20.747 ( 1.401 -1.276 -5.437) 5.757 20.862 ( 3.339 1.979 12.365) 12.960 21.636 ( -3.967 3.158 -3.318) 6.060 21.657 ( -3.694 3.786 1.134) 5.410 22.305 ( -0.676 -0.861 -1.435) 1.805 22.364 ( 3.601 -1.290 1.524) 4.117 22.871 ( -4.288 -1.209 8.312) 9.431 22.918 ( 5.475 -0.260 -8.897) 10.450 24.478 ( -5.766 -2.674 -5.750) 8.571 24.577 ( 0.021 -2.023 3.637) 4.162 24.844 ( -3.287 1.573 -3.391) 4.978 24.995 ( 8.542 1.251 2.286) 8.931 25.706 ( -6.935 7.802 -10.892) 15.087 25.918 ( 4.554 12.781 12.169) 18.226 26.922 ( -2.291 -5.920 -2.076) 6.679 27.030 ( 4.535 -4.248 6.962) 9.332 27.377 ( -13.166 -4.059 7.437) 15.657 27.600 ( 11.514 -5.965 -9.915) 16.324 ======================= Grid point 252 (131/144) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( -6.178 -3.181 -23.212) 24.230 3.308 ( -8.236 9.313 10.761) 16.442 3.476 ( 2.432 4.130 -2.039) 5.208 3.604 ( 5.164 2.501 4.579) 7.341 3.896 ( -7.034 19.463 -6.747) 21.767 4.197 ( -0.381 -6.503 15.487) 16.801 4.446 ( 8.586 10.700 2.557) 13.955 4.682 ( -6.515 -0.569 -6.091) 8.936 4.916 ( -2.976 8.863 17.054) 19.448 4.994 ( 16.321 2.910 -3.696) 16.985 5.315 ( -9.188 -10.869 -2.643) 14.475 5.467 ( -4.881 0.791 -10.556) 11.657 5.728 ( -6.090 -0.306 -6.432) 8.863 5.965 ( -6.987 3.048 -3.802) 8.518 6.106 ( 0.863 -4.880 4.864) 6.944 6.404 ( 14.286 -9.352 10.690) 20.145 6.812 ( -0.215 4.776 -12.086) 12.997 6.878 ( -10.679 -21.827 4.950) 24.799 7.110 ( -12.205 -6.426 -18.148) 22.795 7.373 ( -2.560 -17.520 2.564) 17.891 7.604 ( -9.714 1.816 -3.837) 10.601 7.660 ( 7.159 -3.856 2.032) 8.381 8.181 ( 6.642 2.214 -5.661) 9.003 8.315 ( -2.266 -1.130 5.071) 5.668 8.707 ( -0.672 0.221 -1.661) 1.805 8.773 ( 3.571 6.671 3.208) 8.219 9.093 ( 7.333 4.534 -5.104) 10.019 9.321 ( 1.197 6.494 -6.094) 8.985 9.705 ( 8.509 3.369 2.467) 9.479 9.863 ( -3.818 -14.924 29.038) 32.871 10.074 ( 2.399 4.263 -7.158) 8.670 10.216 ( 7.551 -1.147 11.773) 14.033 10.712 ( -0.843 -5.684 -0.607) 5.778 10.967 ( 12.361 -5.281 -5.758) 14.623 11.372 ( -2.604 11.097 8.912) 14.468 11.521 ( 4.014 11.053 -0.800) 11.787 12.061 ( -8.799 -1.590 -8.422) 12.283 12.273 ( 0.267 4.199 -2.386) 4.837 12.762 ( -4.991 4.189 4.110) 7.704 12.940 ( 3.312 10.066 -4.347) 11.454 13.768 ( -3.906 2.404 13.939) 14.674 13.806 ( 3.211 -2.381 -8.214) 9.135 14.552 ( -10.091 -6.032 12.801) 17.381 14.990 ( 12.669 -9.066 -13.041) 20.316 15.747 ( -16.717 7.903 -7.357) 19.901 16.687 ( 12.491 2.917 -2.299) 13.031 17.235 ( -9.664 -6.027 -3.228) 11.838 17.859 ( 4.979 -4.543 8.073) 10.517 18.394 ( -5.941 -2.917 -3.579) 7.525 18.574 ( 1.430 -6.658 -4.442) 8.130 19.633 ( -2.835 -10.849 1.662) 11.336 19.697 ( -3.804 -2.510 0.625) 4.600 20.221 ( 2.715 13.697 7.849) 16.018 20.281 ( 6.336 11.924 -6.143) 14.835 20.789 ( 0.736 -0.124 6.346) 6.390 20.888 ( 5.039 2.484 -0.528) 5.643 21.527 ( -3.952 2.863 -1.500) 5.106 21.540 ( -4.257 4.230 -0.839) 6.059 22.307 ( -0.622 -0.716 -0.982) 1.365 22.422 ( 2.889 -0.603 0.148) 2.955 22.887 ( -3.747 -2.471 8.740) 9.825 22.951 ( 5.389 0.051 -8.704) 10.237 24.451 ( -5.494 -3.933 -4.837) 8.309 24.607 ( -1.895 -1.278 2.801) 3.615 24.773 ( -1.552 1.734 -4.309) 4.897 25.077 ( 8.265 1.447 2.491) 8.753 25.503 ( -4.652 5.464 -4.509) 8.475 25.762 ( 2.943 13.264 4.973) 14.468 26.980 ( -1.874 -3.499 1.980) 4.436 27.158 ( 5.172 -1.138 6.385) 8.295 27.338 ( -11.270 -6.633 -0.334) 13.081 27.801 ( 7.552 -7.470 -4.014) 11.356 ======================= Grid point 253 (132/144) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( -4.776 1.061 -8.259) 9.600 3.180 ( -2.218 0.373 1.359) 2.628 3.400 ( -2.125 5.528 3.294) 6.776 3.579 ( 2.600 5.336 9.830) 11.483 3.644 ( -2.152 2.332 -13.355) 13.727 4.316 ( 2.262 1.972 5.385) 6.165 4.511 ( 14.251 -2.072 6.682) 15.876 4.629 ( -4.463 -2.462 -6.694) 8.414 4.829 ( -0.319 4.315 12.989) 13.691 5.028 ( -7.347 2.988 -3.453) 8.651 5.244 ( 5.559 5.920 -10.447) 13.232 5.347 ( -12.017 -5.345 -2.041) 13.309 5.822 ( 2.438 -8.720 -5.026) 10.356 5.925 ( -1.209 -0.523 7.148) 7.268 6.128 ( -1.285 1.696 -0.731) 2.250 6.652 ( -4.864 3.396 -3.192) 6.737 6.664 ( 14.852 1.581 3.330) 15.302 6.991 ( -9.512 -5.373 -12.011) 16.237 7.165 ( -8.028 -18.484 11.343) 23.125 7.422 ( 0.302 9.893 -9.322) 13.596 7.649 ( -5.631 -15.465 4.057) 16.951 7.814 ( 4.622 -2.373 1.505) 5.409 8.166 ( 2.076 4.022 0.529) 4.557 8.366 ( 8.819 0.173 -4.943) 10.111 8.591 ( -1.845 8.295 -0.881) 8.543 8.675 ( -5.040 -1.070 1.154) 5.280 9.045 ( 0.235 7.665 -1.983) 7.921 9.325 ( 3.720 -3.666 -0.813) 5.285 9.721 ( 3.556 4.216 5.007) 7.449 9.993 ( -1.397 -0.182 1.309) 1.924 10.191 ( -1.273 -10.832 2.656) 11.225 10.349 ( 6.548 -1.274 8.063) 10.465 10.791 ( -0.200 -3.843 0.004) 3.848 11.081 ( 9.582 3.888 -5.079) 11.520 11.267 ( -3.116 2.379 10.453) 11.164 11.407 ( 1.391 5.305 -2.267) 5.935 11.931 ( -5.701 -0.222 -12.346) 13.600 12.146 ( -2.126 6.090 3.354) 7.271 12.747 ( -1.651 -2.625 2.859) 4.218 12.832 ( 2.228 5.435 -2.643) 6.441 13.737 ( -1.251 1.266 4.506) 4.845 13.837 ( 1.483 -0.495 -2.002) 2.540 14.559 ( -3.897 -1.499 3.429) 5.403 15.157 ( 3.736 -3.167 -3.602) 6.080 15.526 ( -5.755 1.609 -3.255) 6.804 16.774 ( 4.987 -0.846 -0.840) 5.127 17.224 ( -2.743 -1.908 -1.243) 3.565 17.982 ( 0.443 -2.960 7.009) 7.621 18.344 ( -1.905 0.365 -5.455) 5.790 18.627 ( 0.388 -0.983 -2.302) 2.533 19.684 ( -3.484 -2.836 -3.361) 5.611 19.833 ( -5.198 -14.193 6.232) 16.349 20.059 ( 4.308 10.517 -4.144) 12.097 20.162 ( 5.718 10.522 4.226) 12.699 20.786 ( -1.932 1.115 5.720) 6.139 20.906 ( 3.570 0.559 -4.279) 5.600 21.448 ( -2.356 1.555 0.017) 2.823 21.468 ( -0.837 0.980 -0.629) 1.434 22.307 ( -0.318 -0.263 -0.349) 0.541 22.446 ( 0.994 0.044 -0.355) 1.057 22.912 ( -1.824 -1.356 4.270) 4.837 22.973 ( 2.589 0.114 -4.000) 4.766 24.446 ( -2.264 -2.027 -2.025) 3.652 24.595 ( -1.310 0.591 1.091) 1.804 24.742 ( -0.225 -0.077 -1.886) 1.901 25.140 ( 3.838 0.407 1.603) 4.179 25.399 ( -1.993 1.760 -1.515) 3.060 25.639 ( 1.216 5.392 1.166) 5.649 27.006 ( -0.706 -1.038 0.906) 1.548 27.208 ( 1.303 1.030 4.228) 4.542 27.341 ( -3.634 -3.902 -2.529) 5.901 27.941 ( 2.543 -3.115 -0.742) 4.089 ======================= Grid point 258 (133/144) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( -5.186 0.000 -32.316) 32.730 3.502 ( 1.073 -0.000 -18.673) 18.703 3.553 ( 3.613 -0.000 19.677) 20.006 3.710 ( 3.260 -0.000 13.674) 14.057 3.981 ( -3.725 0.000 15.196) 15.646 4.568 ( -10.822 0.000 -0.743) 10.848 4.577 ( 0.868 -0.000 -8.478) 8.523 4.626 ( 3.728 -0.000 3.681) 5.239 4.973 ( -8.613 0.000 -10.527) 13.601 5.159 ( -5.760 0.000 11.303) 12.686 5.283 ( -5.898 0.000 7.195) 9.303 5.433 ( 0.528 -0.000 1.448) 1.541 5.549 ( -2.482 0.000 -12.636) 12.877 5.966 ( 16.142 -0.000 24.899) 29.673 6.111 ( -9.451 0.000 -24.321) 26.093 6.191 ( -13.496 0.000 1.847) 13.622 6.373 ( -3.131 0.000 -7.869) 8.469 6.718 ( 3.315 -0.000 4.042) 5.228 6.997 ( 11.019 -0.000 -24.681) 27.029 7.205 ( -19.174 0.000 -2.480) 19.333 7.573 ( -8.238 0.000 18.909) 20.626 7.597 ( -1.483 0.000 -27.108) 27.149 8.220 ( -11.399 0.000 21.335) 24.189 8.258 ( 15.240 -0.000 -5.645) 16.252 8.709 ( 13.339 -0.000 29.169) 32.074 8.778 ( 7.225 -0.000 -33.165) 33.943 9.259 ( -6.498 0.000 -7.287) 9.763 9.439 ( 5.198 -0.000 2.867) 5.936 9.696 ( 1.822 -0.000 31.778) 31.830 9.753 ( 7.767 -0.000 0.428) 7.779 10.167 ( -5.550 0.000 11.137) 12.443 10.206 ( 6.095 -0.000 -21.937) 22.768 10.622 ( -0.536 0.000 22.611) 22.618 10.844 ( 23.246 -0.000 -12.956) 26.612 11.629 ( -3.603 0.000 4.948) 6.121 11.800 ( 5.429 -0.000 -7.762) 9.472 11.973 ( -9.695 0.000 7.368) 12.177 12.267 ( 8.427 -0.000 -5.724) 10.187 12.921 ( -10.713 0.000 4.793) 11.736 13.294 ( 4.967 -0.000 1.079) 5.083 13.590 ( 0.353 -0.000 -26.898) 26.900 13.807 ( -7.775 0.000 30.894) 31.857 14.410 ( -12.194 0.000 26.730) 29.380 14.782 ( 19.063 -0.000 -30.280) 35.781 15.995 ( -19.013 0.000 -9.007) 21.039 16.702 ( -8.569 0.000 -14.101) 16.501 17.121 ( 5.338 -0.000 3.720) 6.506 17.772 ( 8.130 -0.000 0.322) 8.136 18.315 ( -5.339 0.000 -2.641) 5.956 18.325 ( -2.062 0.000 7.247) 7.534 19.507 ( -0.417 0.000 -6.931) 6.943 19.714 ( -2.225 0.000 6.983) 7.329 20.427 ( 1.977 -0.000 13.919) 14.059 20.498 ( 1.352 -0.000 -15.340) 15.400 20.798 ( 12.334 -0.000 -6.123) 13.770 20.967 ( 1.754 -0.000 17.878) 17.963 21.578 ( -7.919 0.000 -3.019) 8.475 21.625 ( -7.078 0.000 -1.369) 7.209 22.298 ( 0.993 -0.000 -2.134) 2.354 22.411 ( 5.093 -0.000 2.761) 5.793 22.836 ( -4.833 0.000 8.125) 9.454 22.950 ( 6.133 -0.000 -9.628) 11.415 24.352 ( -7.829 0.000 -7.239) 10.662 24.550 ( -3.428 0.000 3.257) 4.729 24.830 ( -0.391 0.000 -3.176) 3.200 25.129 ( 11.990 -0.000 0.839) 12.019 25.637 ( -8.629 0.000 -12.742) 15.389 26.139 ( 1.839 -0.000 18.584) 18.675 26.825 ( -0.426 0.000 -5.250) 5.268 27.064 ( 1.475 -0.000 12.239) 12.328 27.248 ( -9.552 0.000 9.553) 13.509 27.623 ( 10.272 -0.000 -15.229) 18.370 ======================= Grid point 259 (134/144) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( -2.887 -3.280 -33.450) 33.734 3.417 ( -10.218 8.524 13.785) 19.160 3.485 ( 2.538 2.216 -16.504) 16.844 3.768 ( 3.550 4.460 17.602) 18.502 4.162 ( -9.894 19.987 3.716) 22.610 4.225 ( 14.688 -4.424 17.122) 22.988 4.573 ( -4.107 -0.580 -7.548) 8.612 4.678 ( 8.045 5.286 0.326) 9.632 4.954 ( -1.237 -6.216 -6.919) 9.384 5.084 ( -6.753 5.056 8.081) 11.683 5.091 ( -9.758 1.098 -7.096) 12.115 5.468 ( -9.434 -1.207 -2.717) 9.891 5.585 ( -2.048 -8.065 2.576) 8.711 5.823 ( -9.440 1.960 -18.136) 20.540 6.103 ( 0.052 -2.279 -0.394) 2.313 6.246 ( -12.482 -16.746 3.790) 21.227 6.540 ( 13.800 -8.813 3.702) 16.788 6.776 ( -13.732 -9.952 -7.122) 18.394 6.965 ( 5.741 4.984 -14.379) 16.266 7.056 ( -8.887 -7.473 1.741) 11.741 7.519 ( 1.069 0.007 -16.562) 16.596 7.659 ( 3.749 -4.998 11.543) 13.125 8.219 ( -5.809 -1.026 25.568) 26.239 8.420 ( 17.104 1.050 -5.041) 17.862 8.722 ( 6.620 3.675 -22.292) 23.543 8.886 ( 0.022 3.390 9.833) 10.401 9.099 ( -11.238 -1.964 1.013) 11.453 9.527 ( 7.700 2.970 -5.376) 9.849 9.726 ( -2.063 1.963 15.136) 15.401 9.888 ( 9.980 -0.338 13.472) 16.769 10.095 ( -0.513 3.755 4.746) 6.073 10.306 ( 9.102 -5.599 -9.498) 14.297 10.692 ( 0.940 1.017 16.502) 16.560 11.082 ( 22.410 -1.569 -11.623) 25.294 11.554 ( -1.168 8.132 10.854) 13.613 11.707 ( 0.355 9.626 -4.303) 10.550 11.929 ( -7.754 -1.272 -3.225) 8.494 12.351 ( 7.552 0.453 -3.204) 8.216 12.766 ( -11.194 5.137 6.906) 14.121 13.128 ( 0.756 13.927 -8.659) 16.417 13.670 ( -0.986 -10.771 -14.172) 17.828 13.797 ( -8.787 1.508 24.043) 25.643 14.440 ( -4.853 -4.679 22.707) 23.686 14.944 ( 14.904 -6.905 -24.142) 29.200 15.688 ( -13.738 7.995 -8.284) 17.924 16.554 ( -16.346 -7.935 -15.445) 23.848 17.263 ( 14.926 1.389 5.630) 16.013 17.846 ( -0.069 -3.158 5.353) 6.215 18.251 ( -7.243 -3.137 -3.561) 8.659 18.428 ( 0.842 -8.946 -1.739) 9.152 19.508 ( -0.248 -2.898 -3.018) 4.191 19.670 ( -5.240 2.228 4.266) 7.115 20.420 ( 2.629 5.886 -9.821) 11.748 20.484 ( 6.269 4.931 13.698) 15.851 20.886 ( 7.795 4.571 1.722) 9.199 21.009 ( 3.978 3.408 6.086) 8.030 21.475 ( -8.050 0.274 -0.768) 8.091 21.517 ( -6.805 1.326 -3.269) 7.665 22.303 ( 1.325 0.055 -2.149) 2.525 22.471 ( 4.448 0.846 2.022) 4.959 22.827 ( -5.105 -2.170 9.694) 11.169 22.982 ( 5.613 0.032 -10.503) 11.909 24.277 ( -6.956 -4.312 -7.329) 10.986 24.529 ( -6.285 -2.606 3.543) 7.671 24.808 ( 1.973 2.247 -3.209) 4.386 25.248 ( 12.875 3.181 -0.199) 13.263 25.482 ( -6.915 2.456 -8.307) 11.085 26.052 ( -0.301 15.305 12.012) 19.458 26.889 ( -0.805 -6.554 0.933) 6.669 27.112 ( -8.365 -6.167 4.670) 11.393 27.239 ( 2.828 0.314 11.282) 11.635 27.731 ( 6.807 -6.656 -12.441) 15.666 ======================= Grid point 260 (135/144) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( 0.829 -5.377 -25.910) 26.475 3.226 ( -3.928 7.057 12.498) 14.880 3.440 ( -0.800 1.065 -10.137) 10.224 3.661 ( -8.927 10.729 -0.896) 13.986 3.838 ( 3.680 12.508 20.448) 24.251 4.448 ( -2.018 7.320 -0.486) 7.609 4.516 ( 3.463 -1.079 -2.255) 4.271 4.633 ( 6.213 1.420 -9.388) 11.347 4.917 ( -10.588 5.585 -3.293) 12.415 4.955 ( -0.077 0.386 8.656) 8.665 5.112 ( -2.547 -6.243 -2.205) 7.094 5.397 ( 6.145 -3.362 -2.438) 7.417 5.734 ( -1.719 -4.709 -10.053) 11.234 5.768 ( 0.368 -11.441 5.330) 12.627 6.179 ( 2.203 1.621 2.637) 3.799 6.290 ( -23.471 -16.097 -7.581) 29.453 6.696 ( -6.243 -11.720 -8.588) 15.814 6.819 ( -5.588 -10.122 -6.495) 13.262 7.071 ( 8.649 -2.897 14.576) 17.195 7.175 ( 0.705 -14.165 2.901) 14.476 7.521 ( 8.702 0.024 -13.055) 15.690 7.796 ( -1.757 -3.983 7.948) 9.062 8.264 ( -4.374 -0.063 22.377) 22.800 8.504 ( 13.753 8.419 -14.747) 21.851 8.661 ( -7.550 2.492 0.352) 7.959 8.736 ( 8.397 5.804 -11.524) 15.394 9.098 ( -10.554 -3.754 5.564) 12.508 9.412 ( 10.206 14.132 -7.259) 18.883 9.763 ( -12.384 -5.640 13.285) 19.018 9.992 ( 8.275 6.439 8.075) 13.234 10.131 ( 5.855 -2.204 6.084) 8.727 10.459 ( 6.186 -3.775 -1.880) 7.487 10.743 ( 3.871 -0.866 4.230) 5.799 11.254 ( 14.245 3.821 -13.302) 19.861 11.412 ( -4.022 13.131 15.534) 20.734 11.519 ( -2.291 9.665 -3.890) 10.668 11.824 ( -1.423 -0.814 -10.034) 10.167 12.347 ( 5.432 10.171 8.760) 14.481 12.644 ( -8.237 -3.088 0.869) 8.840 12.925 ( -0.684 7.752 -7.980) 11.147 13.706 ( -6.432 -2.068 0.877) 6.813 13.770 ( -5.833 -3.297 4.079) 7.844 14.560 ( 3.922 -2.256 11.213) 12.092 15.107 ( 4.850 -5.623 -10.852) 13.149 15.499 ( -1.096 1.003 -3.282) 3.603 16.497 ( -16.361 -12.991 -13.408) 24.824 17.409 ( 14.813 5.097 10.303) 18.750 17.921 ( -2.839 -5.309 6.384) 8.775 18.239 ( -4.472 -5.661 -5.627) 9.149 18.542 ( -0.296 -6.107 -9.172) 11.023 19.582 ( -3.029 -6.891 0.037) 7.528 19.596 ( -4.842 -2.949 2.381) 6.149 20.309 ( 5.812 11.452 -3.229) 13.242 20.471 ( 6.455 12.550 11.894) 18.456 20.831 ( -2.763 5.051 8.160) 9.986 20.992 ( 6.195 5.466 -9.254) 12.406 21.398 ( -5.313 -1.263 -0.978) 5.548 21.454 ( -2.785 -0.410 -0.120) 2.818 22.313 ( 1.929 0.123 -1.680) 2.561 22.487 ( 2.019 2.182 1.132) 3.181 22.855 ( -4.597 -3.237 11.265) 12.590 22.997 ( 4.070 0.445 -11.057) 11.791 24.288 ( -3.929 -7.368 -6.649) 10.674 24.515 ( -8.121 -4.075 4.620) 10.193 24.798 ( 4.978 2.404 -1.271) 5.673 25.279 ( 4.740 5.684 -2.635) 7.856 25.390 ( 1.111 1.733 -2.462) 3.209 25.819 ( -1.187 14.460 4.723) 15.258 26.965 ( -1.381 -3.583 3.368) 5.107 27.117 ( -7.089 -5.140 -1.244) 8.844 27.350 ( 6.356 -1.779 9.931) 11.924 27.861 ( 1.265 -6.951 -7.560) 10.348 ======================= Grid point 261 (136/144) ======================= q-point: ( 0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 8.227 -9.617 -11.704) 17.238 3.213 ( 1.783 -0.471 6.574) 6.828 3.359 ( -3.431 2.069 3.556) 5.357 3.458 ( -8.106 -1.765 -13.450) 15.803 3.804 ( 5.803 9.090 20.492) 23.157 4.307 ( -0.489 3.617 -2.126) 4.224 4.380 ( -12.544 5.999 -8.413) 16.252 4.626 ( -1.501 -3.926 -12.943) 13.608 4.800 ( 2.011 2.867 -2.631) 4.380 4.987 ( -4.646 1.915 -6.897) 8.533 5.215 ( 5.608 -7.174 25.003) 26.610 5.601 ( 18.815 -0.757 -2.939) 19.058 5.794 ( -1.707 -5.231 -11.084) 12.374 5.950 ( -1.553 -2.580 14.174) 14.490 6.091 ( -1.515 1.332 -2.397) 3.133 6.310 ( -13.699 -12.093 -6.061) 19.252 6.702 ( 4.939 -2.240 -9.706) 11.118 7.067 ( -4.793 -19.306 7.306) 21.191 7.185 ( -8.404 -10.361 7.558) 15.333 7.461 ( 19.932 0.477 -2.538) 20.098 7.558 ( -2.263 -1.772 -6.716) 7.305 7.838 ( -1.668 -4.011 6.397) 7.733 8.232 ( -6.670 4.989 18.621) 20.399 8.373 ( 3.212 13.990 -8.353) 16.608 8.533 ( -5.948 -2.473 -2.585) 6.941 8.787 ( 8.709 2.568 -10.141) 13.612 9.031 ( -2.627 0.952 3.805) 4.721 9.362 ( 13.414 6.315 -3.986) 15.352 9.701 ( -13.447 -0.379 11.591) 17.757 9.924 ( -2.167 6.380 3.992) 7.831 10.263 ( 4.889 -1.888 -2.021) 5.617 10.467 ( -1.203 8.739 -3.445) 9.470 10.817 ( 3.006 -0.791 -2.951) 4.286 11.013 ( -9.360 9.282 -5.533) 14.296 11.300 ( 0.062 6.440 0.967) 6.513 11.400 ( 2.779 4.186 -4.204) 6.551 11.951 ( 10.742 -7.727 1.682) 13.338 12.270 ( 4.219 9.250 15.712) 18.714 12.656 ( -5.104 -7.587 -5.118) 10.479 12.795 ( -3.173 3.455 -4.989) 6.848 13.679 ( -3.186 -2.584 -1.944) 4.539 13.766 ( -6.518 -3.494 1.563) 7.559 14.668 ( 10.396 1.338 2.281) 10.727 15.141 ( -4.035 -0.387 -1.571) 4.347 15.589 ( 10.741 -4.007 3.367) 11.948 16.472 ( -18.616 -11.590 -10.311) 24.233 17.486 ( 12.330 8.648 13.039) 19.921 17.956 ( -2.770 -0.944 -6.103) 6.769 18.307 ( 0.172 -6.720 3.148) 7.423 18.569 ( -2.781 -4.257 -7.525) 9.082 19.632 ( 1.354 -8.892 -4.870) 10.229 19.752 ( -5.887 -14.968 6.206) 17.240 20.147 ( 4.781 15.483 0.516) 16.213 20.273 ( 0.656 19.520 5.323) 20.243 20.792 ( 1.375 0.718 -0.358) 1.592 20.920 ( -0.384 4.086 -3.322) 5.280 21.404 ( -0.786 -3.691 -0.260) 3.782 21.448 ( -1.060 -1.621 -0.180) 1.945 22.331 ( 2.996 0.479 -1.159) 3.248 22.463 ( -0.688 2.119 1.890) 2.922 22.893 ( -3.441 -2.111 10.547) 11.293 22.980 ( 2.135 1.265 -10.734) 11.017 24.369 ( -0.222 -7.790 -5.620) 9.608 24.521 ( -7.415 -5.478 5.495) 10.733 24.829 ( 7.186 2.863 2.309) 8.073 25.181 ( -1.619 5.977 -4.921) 7.910 25.404 ( 4.062 0.659 1.225) 4.293 25.631 ( -2.528 6.713 0.458) 7.188 27.007 ( -0.159 -1.650 2.249) 2.794 27.117 ( -3.748 -3.265 -4.440) 6.665 27.474 ( 7.735 0.458 8.730) 11.673 27.902 ( -4.040 -2.259 -5.150) 6.925 ======================= Grid point 262 (137/144) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 10.387 -7.331 3.546) 13.199 3.237 ( -0.689 -1.920 -2.207) 3.005 3.385 ( -1.013 -5.513 0.390) 5.619 3.458 ( -3.363 -10.253 -4.227) 11.589 3.838 ( 6.937 -0.376 10.005) 12.180 4.134 ( -14.406 -1.567 -6.854) 16.030 4.334 ( 8.847 1.147 5.063) 10.257 4.649 ( -5.818 -6.336 -16.180) 18.324 4.785 ( 2.610 1.975 -5.510) 6.409 4.853 ( -7.790 -0.274 4.900) 9.206 5.503 ( 9.322 -4.948 13.780) 17.357 5.674 ( 6.607 11.969 -0.056) 13.671 5.818 ( 3.839 -1.108 -14.896) 15.423 5.838 ( -8.614 -1.442 13.714) 16.259 6.170 ( 2.855 -2.099 -0.484) 3.576 6.293 ( -8.993 -2.589 -3.072) 9.849 6.856 ( 14.169 -2.499 2.569) 14.616 7.160 ( -4.226 4.727 -2.174) 6.703 7.347 ( 0.201 -10.841 9.380) 14.337 7.513 ( 4.836 10.651 -8.031) 14.189 7.550 ( 1.290 -6.141 -8.903) 10.892 7.761 ( -6.447 14.882 8.914) 18.506 8.179 ( -0.528 -1.165 19.005) 19.048 8.319 ( 5.378 -3.814 3.715) 7.568 8.560 ( -4.809 -8.554 -11.115) 14.826 8.671 ( -9.776 4.369 -12.395) 16.380 9.106 ( 15.366 2.092 8.093) 17.492 9.419 ( 6.308 6.440 6.593) 11.169 9.587 ( -7.219 -0.568 3.662) 8.115 9.828 ( -12.155 -1.883 -2.275) 12.508 10.141 ( 0.901 17.411 -15.162) 23.105 10.195 ( -3.593 7.223 -9.496) 12.460 10.826 ( -1.899 1.151 19.505) 19.631 10.940 ( -1.004 -1.190 -11.790) 11.893 11.265 ( 2.367 -1.975 -1.961) 3.654 11.343 ( -2.900 -1.520 -3.380) 4.706 12.201 ( 9.938 -2.874 3.198) 10.829 12.265 ( 2.154 1.558 9.978) 10.326 12.711 ( -1.739 -3.856 -2.115) 4.729 12.745 ( -4.095 -7.918 -3.603) 9.615 13.711 ( 1.688 -3.849 -6.187) 7.479 13.761 ( -5.453 -3.202 4.178) 7.579 14.751 ( 13.430 5.161 -4.353) 15.032 15.012 ( -11.554 5.990 4.657) 13.823 15.860 ( 19.009 -6.443 7.100) 21.290 16.372 ( -21.115 -7.780 -7.295) 23.656 17.524 ( 12.181 7.938 12.283) 19.033 17.830 ( -7.059 4.865 -12.458) 15.123 18.456 ( 3.986 -4.692 7.091) 9.391 18.582 ( -3.188 -2.979 -3.804) 5.789 19.821 ( 6.805 -1.247 1.701) 7.124 19.906 ( 5.541 11.316 -6.389) 14.127 19.989 ( -8.005 -10.841 9.307) 16.378 19.994 ( -4.996 2.127 -4.058) 6.779 20.798 ( 3.299 1.163 -6.701) 7.559 20.845 ( -4.043 2.013 4.120) 6.113 21.483 ( 0.305 -5.430 2.474) 5.975 21.493 ( 1.096 -4.657 -2.142) 5.242 22.350 ( 3.461 1.427 -0.798) 3.828 22.419 ( -2.759 1.906 1.832) 3.821 22.912 ( -1.633 -0.020 6.361) 6.567 22.939 ( 0.388 1.488 -6.754) 6.926 24.481 ( 3.005 -5.520 -3.155) 7.032 24.557 ( -5.176 -5.155 3.712) 8.194 24.865 ( 6.827 4.199 5.772) 9.877 25.035 ( -4.128 5.354 -5.882) 8.961 25.472 ( 3.472 -3.761 2.201) 5.572 25.571 ( -3.653 -3.961 -1.879) 5.706 27.030 ( 1.542 0.449 1.115) 1.956 27.098 ( -3.137 -0.675 -4.177) 5.268 27.561 ( 10.243 4.206 5.238) 12.249 27.806 ( -8.394 3.614 -3.049) 9.635 ======================= Grid point 263 (138/144) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( -4.181 -0.971 -18.815) 19.299 3.197 ( 4.181 -0.971 18.815) 19.299 3.515 ( 3.590 -3.109 -8.358) 9.614 3.515 ( -3.590 -3.109 8.358) 9.614 4.141 ( -8.861 -18.358 -10.469) 22.916 4.141 ( 8.861 -18.358 10.469) 22.916 4.485 ( -17.872 0.290 -4.755) 18.496 4.485 ( 17.872 0.290 4.755) 18.496 4.853 ( -3.299 -4.683 -6.953) 9.008 4.853 ( 3.299 -4.683 6.953) 9.008 5.497 ( -4.019 10.215 0.466) 10.987 5.497 ( 4.019 10.215 -0.466) 10.987 5.950 ( 3.880 -11.269 -20.039) 23.315 5.950 ( -3.880 -11.269 20.039) 23.315 6.145 ( -4.747 9.867 -0.962) 10.992 6.145 ( 4.747 9.867 0.962) 10.992 6.988 ( 1.237 8.242 -7.734) 11.370 6.988 ( -1.237 8.242 7.734) 11.370 7.268 ( -3.330 14.764 -11.364) 18.927 7.268 ( 3.330 14.764 11.364) 18.927 7.675 ( 0.667 -6.435 -13.076) 14.588 7.675 ( -0.667 -6.435 13.076) 14.588 8.306 ( -11.111 3.897 -21.479) 24.495 8.306 ( 11.111 3.897 21.479) 24.495 8.595 ( -9.609 -4.437 -10.914) 15.203 8.595 ( 9.609 -4.437 10.914) 15.203 9.290 ( 0.147 -1.239 -17.722) 17.766 9.290 ( -0.147 -1.239 17.722) 17.766 9.621 ( -1.030 5.009 -25.567) 26.073 9.621 ( 1.030 5.009 25.567) 26.073 10.064 ( 0.328 -2.680 -12.454) 12.743 10.064 ( -0.328 -2.680 12.454) 12.743 10.807 ( 3.285 8.575 -20.948) 22.872 10.807 ( -3.285 8.575 20.948) 22.872 11.419 ( 0.473 -11.781 -1.886) 11.940 11.419 ( -0.473 -11.781 1.886) 11.940 12.247 ( 2.346 3.588 -9.045) 10.009 12.247 ( -2.346 3.588 9.045) 10.009 12.853 ( -0.662 -10.849 -3.401) 11.389 12.853 ( 0.662 -10.849 3.401) 11.389 13.772 ( 5.031 -1.577 -12.750) 13.797 13.772 ( -5.031 -1.577 12.750) 13.797 14.760 ( 14.485 9.195 -13.783) 22.008 14.760 ( -14.485 9.195 13.783) 22.008 16.241 ( -21.444 -9.056 -5.950) 24.026 16.241 ( 21.444 -9.056 5.950) 24.026 17.591 ( -7.917 6.141 -14.002) 17.217 17.591 ( 7.917 6.141 14.002) 17.217 18.527 ( -3.824 4.309 -0.115) 5.762 18.527 ( 3.824 4.309 0.115) 5.762 19.700 ( 0.339 8.930 -4.474) 9.994 19.700 ( -0.339 8.930 4.474) 9.994 20.194 ( 7.188 -14.741 -13.735) 21.392 20.194 ( -7.188 -14.741 13.735) 21.392 20.793 ( 0.700 1.011 -5.991) 6.116 20.793 ( -0.700 1.011 5.991) 6.116 21.587 ( 0.186 -5.959 -2.615) 6.510 21.587 ( -0.186 -5.959 2.615) 6.510 22.355 ( -1.298 2.060 -1.401) 2.810 22.355 ( 1.298 2.060 1.401) 2.810 22.906 ( 3.810 1.044 -9.843) 10.607 22.906 ( -3.810 1.044 9.843) 10.607 24.567 ( 0.191 -0.421 -6.352) 6.369 24.567 ( -0.191 -0.421 6.352) 6.369 24.902 ( -2.805 1.296 -8.656) 9.191 24.902 ( 2.805 1.296 8.656) 9.191 25.639 ( -4.263 -10.261 -5.391) 12.350 25.639 ( 4.263 -10.261 5.391) 12.350 27.034 ( -3.461 2.935 -1.406) 4.751 27.034 ( 3.461 2.935 1.406) 4.751 27.599 ( -7.866 6.915 -0.687) 10.496 27.599 ( 7.866 6.915 0.687) 10.496 ======================= Grid point 267 (139/144) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 4.629 -0.000 -33.080) 33.402 3.390 ( -3.307 0.000 -0.291) 3.320 3.548 ( -2.272 0.000 2.536) 3.405 3.881 ( 2.413 -0.000 12.317) 12.551 4.182 ( -17.321 0.000 -1.070) 17.354 4.391 ( 12.968 -0.000 13.270) 18.554 4.687 ( 5.489 -0.000 -1.427) 5.672 4.693 ( -1.718 0.000 -2.908) 3.378 4.887 ( 6.902 -0.000 -1.065) 6.983 4.984 ( -3.384 0.000 -19.291) 19.586 5.110 ( -10.631 0.000 9.509) 14.263 5.232 ( -11.665 0.000 17.247) 20.822 5.440 ( -9.492 0.000 -5.218) 10.832 5.670 ( -9.000 0.000 -28.647) 30.028 5.915 ( -5.115 0.000 -4.054) 6.527 6.099 ( -2.338 0.000 -12.405) 12.623 6.481 ( -20.876 0.000 4.521) 21.360 6.665 ( 5.919 -0.000 -0.260) 5.925 6.854 ( -9.837 0.000 16.820) 19.485 7.164 ( 23.672 -0.000 -10.999) 26.102 7.524 ( 9.104 -0.000 -18.283) 20.424 7.710 ( 4.231 -0.000 14.062) 14.685 8.232 ( -6.661 0.000 27.100) 27.907 8.597 ( 12.257 -0.000 -3.575) 12.768 8.758 ( -13.868 0.000 -18.250) 22.921 8.837 ( 3.925 -0.000 -16.164) 16.634 8.997 ( -1.474 0.000 23.868) 23.913 9.525 ( -2.509 0.000 2.742) 3.717 9.889 ( 7.088 -0.000 2.959) 7.681 9.996 ( 2.784 -0.000 17.724) 17.941 10.242 ( 7.202 -0.000 19.118) 20.430 10.245 ( 10.315 -0.000 -29.857) 31.588 10.801 ( 4.017 -0.000 14.809) 15.344 11.276 ( 21.185 -0.000 -15.784) 26.418 11.654 ( -1.772 0.000 17.380) 17.470 11.770 ( -4.319 0.000 -9.469) 10.408 11.829 ( -3.623 0.000 1.725) 4.013 12.415 ( 6.395 -0.000 -6.893) 9.403 12.728 ( -7.862 0.000 8.268) 11.409 13.282 ( -7.856 0.000 4.580) 9.094 13.434 ( 4.118 -0.000 -29.208) 29.497 13.772 ( -14.497 0.000 28.304) 31.800 14.463 ( 0.633 -0.000 28.166) 28.173 14.955 ( 14.053 -0.000 -30.542) 33.620 15.598 ( -9.927 0.000 -7.136) 12.225 16.208 ( -19.019 0.000 -15.877) 24.775 17.486 ( 17.771 -0.000 4.383) 18.304 17.807 ( -5.109 0.000 8.112) 9.586 18.121 ( -7.130 0.000 -7.712) 10.503 18.367 ( 1.363 -0.000 0.073) 1.365 19.480 ( 0.655 -0.000 -5.039) 5.081 19.641 ( -6.671 0.000 4.558) 8.080 20.473 ( 5.242 -0.000 -6.209) 8.126 20.644 ( 6.997 -0.000 14.195) 15.826 21.058 ( -5.251 0.000 12.947) 13.971 21.066 ( 13.946 -0.000 -10.238) 17.300 21.399 ( -6.013 0.000 4.547) 7.538 21.418 ( -8.139 0.000 -6.086) 10.163 22.316 ( 2.291 -0.000 -2.409) 3.324 22.533 ( 3.055 -0.000 1.238) 3.296 22.788 ( -4.462 0.000 11.407) 12.249 22.999 ( 3.933 -0.000 -11.391) 12.050 24.150 ( -4.204 0.000 -7.415) 8.523 24.436 ( -8.619 0.000 3.944) 9.479 24.847 ( 3.899 -0.000 -3.431) 5.193 25.347 ( -5.890 0.000 -5.329) 7.943 25.470 ( 13.469 -0.000 -4.926) 14.342 26.221 ( -6.231 0.000 17.881) 18.935 26.809 ( 1.331 -0.000 -3.527) 3.770 26.986 ( -8.485 0.000 5.622) 10.179 27.325 ( 3.568 -0.000 15.416) 15.823 27.691 ( 5.688 -0.000 -17.336) 18.245 ======================= Grid point 268 (140/144) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( 12.506 -1.426 -22.727) 25.980 3.356 ( -5.144 0.291 5.115) 7.260 3.412 ( -0.055 11.350 -5.648) 12.678 3.753 ( -15.414 14.584 8.093) 22.711 4.062 ( 1.884 0.786 8.308) 8.555 4.402 ( -9.678 4.298 -15.555) 18.817 4.567 ( 3.905 -0.828 -0.631) 4.042 4.767 ( -1.873 -0.899 -3.030) 3.674 4.850 ( 1.851 12.154 -3.180) 12.699 5.002 ( -1.519 -2.341 1.074) 2.991 5.067 ( -2.242 -3.273 16.251) 16.728 5.347 ( 12.036 -9.381 10.137) 18.320 5.490 ( 0.159 -9.017 -18.852) 20.898 5.573 ( -11.537 -16.647 -7.679) 21.661 5.903 ( -1.463 -2.560 -5.175) 5.956 6.143 ( 1.650 -10.211 -5.774) 11.846 6.351 ( -18.330 -10.193 5.020) 21.565 6.578 ( -10.272 -0.038 -11.119) 15.137 6.922 ( -0.950 -4.852 16.240) 16.976 7.454 ( 29.109 0.776 0.102) 29.120 7.593 ( 12.022 -1.556 -12.750) 17.593 7.758 ( -4.967 2.230 9.903) 11.301 8.239 ( -9.649 -1.555 19.040) 21.402 8.392 ( -28.987 -6.144 -10.253) 31.355 8.753 ( 14.977 4.972 -7.134) 17.318 8.924 ( 17.131 3.989 -10.924) 20.706 9.029 ( -3.857 1.251 16.079) 16.583 9.491 ( -7.228 -1.038 1.003) 7.370 9.878 ( 9.013 10.873 5.942) 15.322 10.075 ( 1.925 -1.378 7.743) 8.096 10.293 ( 8.436 0.538 -9.041) 12.377 10.367 ( -1.043 -2.730 7.198) 7.769 10.879 ( 9.357 3.330 5.420) 11.315 11.399 ( 10.816 2.751 -20.311) 23.175 11.590 ( -7.493 8.946 6.108) 13.172 11.607 ( -6.785 6.186 8.534) 12.535 11.849 ( 8.794 1.203 1.525) 9.006 12.445 ( -3.606 -4.258 -7.766) 9.563 12.643 ( 2.132 9.735 9.010) 13.435 13.034 ( -4.494 12.000 -5.510) 13.948 13.529 ( -0.211 -9.185 -16.263) 18.679 13.685 ( -14.302 0.107 21.409) 25.747 14.626 ( 5.768 -3.539 22.081) 23.095 15.024 ( 6.064 -4.641 -22.728) 23.976 15.498 ( 0.156 0.111 -1.504) 1.516 16.054 ( -17.095 -10.802 -14.304) 24.769 17.660 ( 11.702 2.272 9.602) 15.306 17.817 ( -4.343 -4.581 7.004) 9.429 18.081 ( -0.787 -5.163 -9.298) 10.664 18.406 ( -2.319 -4.907 -5.069) 7.426 19.480 ( -0.376 -1.812 -2.912) 3.451 19.560 ( -5.960 1.906 2.896) 6.895 20.503 ( 8.511 4.606 -2.129) 9.909 20.735 ( 6.847 4.900 13.789) 16.156 20.923 ( -7.294 8.185 5.801) 12.404 21.111 ( 3.841 5.357 -12.391) 14.035 21.322 ( -1.933 -0.904 -3.119) 3.780 21.402 ( -3.576 -1.960 5.432) 6.792 22.340 ( 3.632 0.157 -2.013) 4.155 22.532 ( -1.160 1.489 0.155) 1.894 22.813 ( -1.893 -1.940 13.267) 13.541 22.992 ( 1.820 -0.190 -12.145) 12.282 24.141 ( 0.108 -4.568 -6.650) 8.068 24.369 ( -9.853 -2.858 4.580) 11.235 24.882 ( 6.007 0.916 -1.766) 6.328 25.243 ( -8.111 -0.465 -4.555) 9.313 25.583 ( 15.577 5.996 -4.305) 17.237 26.048 ( -7.356 14.245 10.809) 19.336 26.884 ( -0.361 -5.961 1.192) 6.089 26.959 ( -5.548 -4.750 1.836) 7.531 27.428 ( 4.543 -1.412 14.294) 15.065 27.729 ( 1.496 -5.505 -14.677) 15.747 ======================= Grid point 269 (141/144) ======================= q-point: ( 0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( 17.181 -3.930 -7.066) 18.988 3.211 ( -12.805 0.095 -15.718) 20.274 3.301 ( -1.288 3.933 7.847) 8.871 3.407 ( -9.491 8.922 5.892) 14.296 4.099 ( 7.541 7.713 11.975) 16.117 4.303 ( -1.446 -1.610 -9.217) 9.468 4.437 ( -7.985 12.087 8.206) 16.649 4.534 ( -1.268 5.505 -17.302) 18.201 4.879 ( 4.770 2.550 -2.668) 6.031 4.986 ( -1.226 3.169 -6.511) 7.344 5.225 ( 0.979 -7.938 30.843) 31.863 5.498 ( -5.562 -8.642 -20.415) 22.856 5.736 ( 11.038 -17.070 2.769) 20.516 5.837 ( -3.430 -19.775 4.125) 20.490 5.971 ( 7.487 -1.797 -4.535) 8.936 6.190 ( -4.365 5.022 -0.842) 6.707 6.492 ( -1.616 -19.940 -13.107) 23.917 6.570 ( -12.955 -23.212 4.418) 26.947 7.062 ( 8.825 -1.827 11.813) 14.859 7.509 ( -16.303 6.524 1.713) 17.643 7.758 ( 14.652 -0.665 0.742) 14.686 7.773 ( 15.270 -4.113 -6.256) 17.007 8.200 ( -11.857 -3.312 7.782) 14.565 8.249 ( -16.264 -7.405 -3.905) 18.292 8.719 ( 8.691 13.675 1.495) 16.271 8.875 ( -0.591 8.650 -9.448) 12.823 9.113 ( 12.415 -0.561 8.288) 14.938 9.427 ( -10.745 -3.349 1.820) 11.402 9.814 ( 13.485 13.548 -0.410) 19.120 10.055 ( -4.347 8.300 -1.116) 9.436 10.319 ( 2.795 -0.525 13.634) 13.928 10.428 ( -3.496 -5.556 -2.401) 6.990 10.895 ( 7.526 7.600 -5.510) 12.032 11.112 ( -11.188 17.407 -10.096) 23.024 11.465 ( -1.242 8.965 12.955) 15.804 11.502 ( 4.207 5.145 -9.584) 11.663 12.014 ( 14.232 -3.536 7.154) 16.317 12.379 ( -13.392 -2.175 -4.130) 14.182 12.588 ( 9.151 6.797 6.204) 12.978 12.806 ( -5.867 7.161 -6.201) 11.142 13.587 ( 0.740 -4.375 -9.796) 10.754 13.636 ( -9.059 -3.497 10.803) 14.526 14.808 ( 9.833 -1.319 9.748) 13.908 15.047 ( -4.323 -2.963 -9.682) 11.009 15.638 ( 11.651 -7.542 5.490) 14.926 16.026 ( -17.012 -13.127 -11.343) 24.298 17.743 ( 5.382 3.206 13.263) 14.668 17.866 ( -2.222 -3.682 -4.626) 6.316 18.206 ( 5.716 -7.874 -0.368) 9.737 18.410 ( -6.573 -4.993 -8.097) 11.562 19.519 ( -0.688 -3.825 -2.156) 4.445 19.531 ( -2.957 -6.737 2.849) 7.889 20.462 ( 8.247 12.944 -0.311) 15.351 20.601 ( -3.829 17.847 7.465) 19.720 20.837 ( 2.665 1.561 4.759) 5.673 20.971 ( -2.439 5.642 -9.088) 10.971 21.350 ( 1.963 -2.341 -2.102) 3.708 21.402 ( -3.155 -1.308 2.383) 4.165 22.378 ( 4.920 0.420 -1.629) 5.199 22.479 ( -3.813 1.575 1.226) 4.304 22.877 ( -0.650 -1.665 13.072) 13.194 22.964 ( 0.468 -0.125 -12.657) 12.666 24.239 ( 3.606 -7.192 -5.816) 9.927 24.349 ( -8.823 -5.793 5.167) 11.752 24.950 ( 7.995 0.479 1.676) 8.183 25.149 ( -7.712 -0.016 -3.907) 8.645 25.585 ( 10.828 9.778 -2.597) 14.819 25.762 ( -6.695 13.356 4.062) 15.483 26.966 ( -0.426 -4.197 3.449) 5.449 27.003 ( -2.244 -5.110 -2.707) 6.203 27.568 ( 6.169 -2.707 12.016) 13.775 27.764 ( -3.859 -5.055 -10.921) 12.638 ======================= Grid point 270 (142/144) ======================= q-point: (-0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( -17.257 -8.599 -4.214) 19.736 3.059 ( 17.257 -8.599 4.214) 19.736 3.299 ( 0.720 -1.297 -6.507) 6.674 3.299 ( -0.720 -1.297 6.507) 6.674 4.063 ( -7.697 10.637 -7.552) 15.147 4.063 ( 7.697 10.637 7.552) 15.147 4.453 ( -5.382 -2.876 -16.472) 17.566 4.453 ( 5.382 -2.876 16.472) 17.566 4.848 ( -0.523 5.019 -3.421) 6.097 4.848 ( 0.523 5.019 3.421) 6.097 5.516 ( -1.411 -10.382 -28.667) 30.521 5.516 ( 1.411 -10.382 28.667) 30.521 5.967 ( 5.454 10.643 -7.130) 13.923 5.967 ( -5.454 10.643 7.130) 13.923 6.086 ( -0.317 -13.024 -9.882) 16.352 6.086 ( 0.317 -13.024 9.882) 16.352 6.880 ( 14.012 -21.502 -9.468) 27.356 6.880 ( -14.012 -21.502 9.468) 27.356 7.259 ( -11.539 -3.261 -7.628) 14.211 7.259 ( 11.539 -3.261 7.628) 14.211 7.856 ( -8.307 5.397 1.642) 10.041 7.856 ( 8.307 5.397 -1.642) 10.041 8.200 ( -2.357 -3.951 -24.963) 25.383 8.200 ( 2.357 -3.951 24.963) 25.383 8.631 ( -9.036 9.213 -9.042) 15.757 8.631 ( 9.036 9.213 9.042) 15.757 9.330 ( -14.549 -2.711 -7.599) 16.636 9.330 ( 14.549 -2.711 7.599) 16.636 9.772 ( 4.759 10.590 -2.069) 11.793 9.772 ( -4.759 10.590 2.069) 11.793 10.349 ( -0.100 10.402 -10.960) 15.110 10.349 ( 0.100 10.402 10.960) 15.110 10.837 ( 2.453 0.265 -14.577) 14.785 10.837 ( -2.453 0.265 14.577) 14.785 11.373 ( -1.228 7.763 -10.123) 12.816 11.373 ( 1.228 7.763 10.123) 12.816 12.262 ( -11.552 -3.136 -2.478) 12.223 12.262 ( 11.552 -3.136 2.478) 12.223 12.643 ( -3.076 0.176 -7.351) 7.970 12.643 ( 3.076 0.176 7.351) 7.970 13.655 ( 4.312 -4.312 -11.789) 13.273 13.655 ( -4.312 -4.312 11.789) 13.273 14.948 ( -3.377 1.577 -9.839) 10.522 14.948 ( 3.377 1.577 9.839) 10.522 15.978 ( -18.833 -9.280 -8.474) 22.640 15.978 ( 18.833 -9.280 8.474) 22.640 17.786 ( -6.018 4.693 -14.143) 16.070 17.786 ( 6.018 4.693 14.143) 16.070 18.415 ( -4.708 -7.914 -8.187) 12.322 18.415 ( 4.708 -7.914 8.187) 12.322 19.669 ( 4.555 -13.509 -6.922) 15.848 19.669 ( -4.555 -13.509 6.922) 15.848 20.253 ( 2.459 20.510 -9.007) 22.535 20.253 ( -2.459 20.510 9.007) 22.535 20.854 ( 0.730 2.563 -6.713) 7.223 20.854 ( -0.730 2.563 6.713) 7.223 21.416 ( 1.673 -3.760 -6.141) 7.392 21.416 ( -1.673 -3.760 6.141) 7.392 22.413 ( 2.680 1.347 -1.640) 3.418 22.413 ( -2.680 1.347 1.640) 3.418 22.928 ( 1.124 -0.023 -12.609) 12.659 22.928 ( -1.124 -0.023 12.609) 12.659 24.397 ( 4.984 -7.794 -6.157) 11.113 24.397 ( -4.984 -7.794 6.157) 11.113 25.030 ( -6.374 2.898 -6.157) 9.324 25.030 ( 6.374 2.898 6.157) 9.324 25.536 ( -5.425 5.766 -0.594) 7.939 25.536 ( 5.425 5.766 0.594) 7.939 27.036 ( -1.067 -2.506 -3.739) 4.626 27.036 ( 1.067 -2.506 3.739) 4.626 27.715 ( -7.651 -0.808 -8.654) 11.579 27.715 ( 7.651 -0.808 8.654) 11.579 ======================= Grid point 276 (143/144) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 23.229 -0.000 -11.196) 25.786 3.243 ( -15.460 0.000 -2.654) 15.686 3.583 ( 3.860 -0.000 3.997) 5.557 3.774 ( -12.776 0.000 2.916) 13.105 4.028 ( 1.958 -0.000 -4.309) 4.733 4.177 ( -16.471 0.000 -11.554) 20.119 4.684 ( 11.383 -0.000 0.079) 11.383 4.747 ( 6.477 -0.000 9.313) 11.344 4.879 ( -9.083 0.000 10.639) 13.989 5.033 ( -10.454 0.000 14.729) 18.062 5.105 ( -6.795 0.000 -9.988) 12.080 5.158 ( 1.550 -0.000 -0.946) 1.816 5.385 ( 10.625 -0.000 -36.380) 37.900 5.488 ( 5.330 -0.000 10.832) 12.073 5.976 ( 9.660 -0.000 15.451) 18.222 5.993 ( 2.858 -0.000 -16.369) 16.617 6.082 ( -15.875 0.000 11.104) 19.373 6.423 ( -14.379 0.000 -14.922) 20.723 7.039 ( 17.251 -0.000 17.673) 24.696 7.621 ( -0.745 0.000 -8.376) 8.409 7.749 ( 17.890 -0.000 -0.481) 17.896 7.805 ( -4.018 0.000 10.527) 11.268 7.918 ( -16.833 0.000 -25.148) 30.262 8.164 ( -15.427 0.000 19.642) 24.976 8.923 ( 10.827 -0.000 -1.602) 10.945 9.051 ( -3.683 0.000 8.232) 9.018 9.129 ( 17.461 -0.000 -7.584) 19.037 9.398 ( -10.208 0.000 4.222) 11.047 10.090 ( -4.276 0.000 24.349) 24.721 10.097 ( 9.011 -0.000 -7.288) 11.589 10.256 ( 11.613 -0.000 -26.326) 28.774 10.413 ( -7.371 0.000 14.654) 16.403 11.054 ( 13.123 -0.000 4.987) 14.039 11.391 ( -6.792 0.000 -16.435) 17.783 11.597 ( 3.511 -0.000 -12.273) 12.766 11.627 ( -9.000 0.000 21.243) 23.071 12.005 ( 12.340 -0.000 6.477) 13.937 12.308 ( -9.195 0.000 -7.545) 11.894 12.821 ( 9.824 -0.000 1.255) 9.904 13.067 ( -12.969 0.000 5.334) 14.023 13.423 ( 12.812 -0.000 -28.287) 31.053 13.587 ( -17.295 0.000 26.070) 31.285 14.735 ( 4.141 -0.000 28.284) 28.586 14.951 ( 3.519 -0.000 -29.268) 29.479 15.507 ( 3.028 -0.000 3.072) 4.313 15.746 ( -12.943 0.000 -12.293) 17.851 17.753 ( -3.746 0.000 9.389) 10.109 17.767 ( 0.854 -0.000 1.366) 1.611 18.069 ( 11.876 -0.000 -7.415) 14.001 18.307 ( -7.049 0.000 -1.592) 7.227 19.467 ( 1.797 -0.000 -4.468) 4.816 19.522 ( -5.658 0.000 3.681) 6.751 20.644 ( 10.837 -0.000 -0.160) 10.839 20.875 ( 0.075 -0.000 6.482) 6.483 20.910 ( -4.997 0.000 8.659) 9.997 21.111 ( -4.219 0.000 -13.616) 14.255 21.327 ( 6.720 -0.000 -10.721) 12.653 21.376 ( -4.595 0.000 14.127) 14.856 22.384 ( 5.212 -0.000 -1.538) 5.435 22.505 ( -5.023 0.000 0.056) 5.023 22.843 ( 0.918 -0.000 13.594) 13.625 22.955 ( -0.274 0.000 -12.686) 12.689 24.111 ( 4.909 -0.000 -6.121) 7.847 24.250 ( -9.919 0.000 4.984) 11.100 24.953 ( 6.904 -0.000 -1.262) 7.019 25.130 ( -8.473 0.000 -2.660) 8.880 25.808 ( 17.555 -0.000 -7.822) 19.219 26.096 ( -14.185 0.000 13.524) 19.599 26.828 ( 2.369 -0.000 -3.302) 4.064 26.875 ( -4.423 0.000 3.896) 5.894 27.505 ( 2.343 -0.000 17.018) 17.178 27.643 ( 0.988 -0.000 -17.870) 17.898 ======================= Grid point 277 (144/144) ======================= q-point: (-0.43 -0.57 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( -22.633 2.196 -4.009) 23.090 2.979 ( 22.633 2.196 4.009) 23.090 3.496 ( -3.656 12.940 -6.254) 14.830 3.496 ( 3.656 12.940 6.254) 14.830 4.165 ( 4.038 -8.096 -13.134) 15.949 4.165 ( -4.038 -8.096 13.134) 15.949 4.670 ( -3.546 15.716 -10.817) 19.405 4.670 ( 3.546 15.716 10.817) 19.405 4.918 ( 4.720 -6.146 -8.351) 11.393 4.918 ( -4.720 -6.146 8.351) 11.393 5.216 ( 0.172 -8.493 -37.246) 38.202 5.216 ( -0.172 -8.493 37.246) 38.202 5.539 ( 10.762 -10.751 -10.904) 18.716 5.539 ( -10.761 -10.751 10.904) 18.716 6.065 ( 5.869 -6.921 -6.019) 10.890 6.065 ( -5.869 -6.921 6.019) 10.890 6.236 ( -6.945 -6.347 -13.029) 16.070 6.236 ( 6.945 -6.347 13.029) 16.070 7.323 ( -26.267 3.529 -8.969) 27.979 7.323 ( 26.267 3.529 8.969) 27.979 7.820 ( -8.408 -4.010 2.306) 9.597 7.820 ( 8.408 -4.010 -2.306) 9.597 8.046 ( 19.246 -3.685 -21.705) 29.242 8.046 ( -19.246 -3.685 21.705) 29.242 8.963 ( 0.165 6.394 -7.616) 9.945 8.963 ( -0.165 6.394 7.616) 9.945 9.275 ( 2.958 0.405 -10.420) 10.839 9.275 ( -2.958 0.405 10.420) 10.839 10.095 ( -0.240 4.369 -12.881) 13.604 10.095 ( 0.240 4.369 12.881) 13.604 10.333 ( 9.541 -0.797 -21.913) 23.913 10.333 ( -9.541 -0.797 21.913) 23.913 11.163 ( -10.160 8.029 -9.191) 15.880 11.163 ( 10.160 8.029 9.191) 15.880 11.580 ( 5.962 3.497 -18.229) 19.496 11.580 ( -5.962 3.497 18.229) 19.496 12.168 ( -12.948 -0.818 -8.363) 15.436 12.168 ( 12.948 -0.818 8.363) 15.436 12.851 ( -9.097 9.307 -2.168) 13.193 12.851 ( 9.097 9.307 2.168) 13.193 13.526 ( 11.405 -3.587 -21.479) 24.582 13.526 ( -11.405 -3.587 21.479) 24.582 14.896 ( -2.248 -3.320 -23.527) 23.867 14.896 ( 2.248 -3.320 23.527) 23.867 15.656 ( -10.826 -7.649 -8.825) 15.924 15.656 ( 10.826 -7.649 8.825) 15.924 17.782 ( 0.938 -2.768 -7.935) 8.456 17.782 ( -0.938 -2.768 7.935) 8.456 18.225 ( -7.993 -3.289 -3.680) 9.395 18.225 ( 7.993 -3.289 3.680) 9.395 19.479 ( 2.347 -0.092 -3.190) 3.961 19.479 ( -2.347 -0.092 3.190) 3.961 20.723 ( -9.908 6.337 -0.191) 11.762 20.723 ( 9.908 6.337 0.191) 11.762 20.967 ( -5.572 4.098 -12.541) 14.322 20.967 ( 5.572 4.098 12.541) 14.322 21.362 ( 5.229 -0.093 -11.545) 12.674 21.362 ( -5.229 -0.093 11.545) 12.674 22.440 ( -3.639 0.385 -0.208) 3.666 22.440 ( 3.639 0.385 0.208) 3.666 22.908 ( -0.954 -0.728 -13.229) 13.283 22.908 ( 0.954 -0.728 13.229) 13.283 24.196 ( 7.426 -3.656 -5.556) 9.969 24.196 ( -7.426 -3.656 5.556) 9.969 25.039 ( -7.448 -0.655 -1.789) 7.688 25.039 ( 7.448 -0.655 1.789) 7.688 25.875 ( 13.326 10.219 -7.926) 18.570 25.875 ( -13.326 10.219 7.926) 18.570 26.895 ( 0.720 -5.070 -2.806) 5.840 26.895 ( -0.720 -5.070 2.806) 5.840 27.611 ( -2.044 -3.310 -16.125) 16.588 27.611 ( 2.044 -3.310 16.125) 16.588 =================== 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 3/35280 10.0 544.862 197.901 675.334 -0.000 105.897 -0.000 3/35280 20.0 142.800 95.060 162.434 -0.000 14.128 -0.000 3/35280 30.0 64.238 50.068 72.107 -0.000 5.805 -0.000 3/35280 40.0 37.795 29.971 44.726 -0.000 2.875 -0.000 3/35280 50.0 26.121 20.751 32.447 -0.000 1.629 -0.000 3/35280 60.0 19.921 15.838 25.678 -0.000 1.022 -0.000 3/35280 70.0 16.171 12.866 21.432 -0.000 0.688 -0.000 3/35280 80.0 13.681 10.889 18.521 -0.000 0.486 -0.000 3/35280 90.0 11.909 9.476 16.392 -0.000 0.354 -0.000 3/35280 100.0 10.581 8.413 14.759 -0.000 0.262 -0.000 3/35280 110.0 9.546 7.580 13.458 -0.000 0.196 -0.000 3/35280 120.0 8.713 6.908 12.394 -0.000 0.147 -0.000 3/35280 130.0 8.026 6.354 11.502 -0.000 0.110 -0.000 3/35280 140.0 7.449 5.887 10.742 -0.000 0.081 -0.000 3/35280 150.0 6.956 5.489 10.085 -0.000 0.058 -0.000 3/35280 160.0 6.529 5.145 9.509 -0.000 0.039 -0.000 3/35280 170.0 6.156 4.844 9.000 -0.000 0.024 -0.000 3/35280 180.0 5.826 4.580 8.547 -0.000 0.012 -0.000 3/35280 190.0 5.532 4.345 8.139 -0.000 0.003 -0.000 3/35280 200.0 5.269 4.135 7.771 -0.000 -0.005 -0.000 3/35280 210.0 5.031 3.946 7.436 -0.000 -0.012 -0.000 3/35280 220.0 4.816 3.776 7.131 -0.000 -0.017 -0.000 3/35280 230.0 4.619 3.621 6.851 -0.000 -0.022 -0.000 3/35280 240.0 4.440 3.479 6.593 -0.000 -0.025 -0.000 3/35280 250.0 4.274 3.349 6.354 -0.000 -0.028 -0.000 3/35280 260.0 4.122 3.230 6.133 -0.000 -0.030 -0.000 3/35280 270.0 3.980 3.120 5.927 -0.000 -0.032 -0.000 3/35280 280.0 3.849 3.017 5.735 -0.000 -0.034 -0.000 3/35280 290.0 3.726 2.922 5.556 -0.000 -0.035 -0.000 3/35280 300.0 3.612 2.833 5.388 -0.000 -0.036 -0.000 3/35280 310.0 3.505 2.750 5.230 -0.000 -0.037 -0.000 3/35280 320.0 3.404 2.672 5.081 -0.000 -0.037 -0.000 3/35280 330.0 3.309 2.599 4.941 -0.000 -0.038 -0.000 3/35280 340.0 3.220 2.530 4.808 -0.000 -0.038 -0.000 3/35280 350.0 3.135 2.464 4.682 -0.000 -0.038 -0.000 3/35280 360.0 3.055 2.403 4.563 -0.000 -0.038 -0.000 3/35280 370.0 2.979 2.344 4.450 -0.000 -0.038 -0.000 3/35280 380.0 2.907 2.288 4.342 -0.000 -0.038 -0.000 3/35280 390.0 2.838 2.235 4.240 -0.000 -0.038 -0.000 3/35280 400.0 2.773 2.185 4.142 -0.000 -0.037 -0.000 3/35280 410.0 2.711 2.137 4.049 -0.000 -0.037 -0.000 3/35280 420.0 2.651 2.091 3.959 -0.000 -0.037 -0.000 3/35280 430.0 2.594 2.047 3.874 -0.000 -0.036 -0.000 3/35280 440.0 2.540 2.005 3.792 -0.000 -0.036 -0.000 3/35280 450.0 2.488 1.964 3.714 -0.000 -0.036 -0.000 3/35280 460.0 2.437 1.926 3.639 -0.000 -0.035 -0.000 3/35280 470.0 2.389 1.888 3.567 -0.000 -0.035 -0.000 3/35280 480.0 2.343 1.852 3.497 -0.000 -0.035 -0.000 3/35280 490.0 2.299 1.818 3.430 -0.000 -0.034 -0.000 3/35280 500.0 2.256 1.785 3.366 -0.000 -0.034 -0.000 3/35280 510.0 2.215 1.753 3.304 -0.000 -0.033 -0.000 3/35280 520.0 2.175 1.722 3.244 -0.000 -0.033 -0.000 3/35280 530.0 2.136 1.692 3.187 -0.000 -0.033 -0.000 3/35280 540.0 2.099 1.663 3.131 -0.000 -0.032 -0.000 3/35280 550.0 2.064 1.636 3.077 -0.000 -0.032 -0.000 3/35280 560.0 2.029 1.609 3.026 -0.000 -0.031 -0.000 3/35280 570.0 1.996 1.583 2.975 -0.000 -0.031 -0.000 3/35280 580.0 1.963 1.557 2.927 -0.000 -0.031 -0.000 3/35280 590.0 1.932 1.533 2.880 -0.000 -0.030 -0.000 3/35280 600.0 1.902 1.509 2.834 -0.000 -0.030 -0.000 3/35280 610.0 1.872 1.486 2.790 -0.000 -0.029 -0.000 3/35280 620.0 1.844 1.464 2.747 -0.000 -0.029 -0.000 3/35280 630.0 1.816 1.443 2.706 -0.000 -0.029 -0.000 3/35280 640.0 1.789 1.422 2.665 -0.000 -0.028 -0.000 3/35280 650.0 1.763 1.401 2.626 -0.000 -0.028 -0.000 3/35280 660.0 1.738 1.381 2.588 -0.000 -0.028 -0.000 3/35280 670.0 1.713 1.362 2.551 -0.000 -0.027 -0.000 3/35280 680.0 1.689 1.343 2.515 -0.000 -0.027 -0.000 3/35280 690.0 1.666 1.325 2.480 -0.000 -0.027 -0.000 3/35280 700.0 1.643 1.307 2.446 -0.000 -0.026 -0.000 3/35280 710.0 1.621 1.290 2.413 -0.000 -0.026 -0.000 3/35280 720.0 1.600 1.273 2.381 -0.000 -0.026 -0.000 3/35280 730.0 1.579 1.257 2.350 -0.000 -0.025 -0.000 3/35280 740.0 1.558 1.241 2.319 -0.000 -0.025 -0.000 3/35280 750.0 1.538 1.225 2.289 -0.000 -0.025 -0.000 3/35280 760.0 1.519 1.210 2.260 -0.000 -0.025 -0.000 3/35280 770.0 1.500 1.195 2.232 -0.000 -0.024 -0.000 3/35280 780.0 1.482 1.180 2.204 -0.000 -0.024 -0.000 3/35280 790.0 1.464 1.166 2.177 -0.000 -0.024 -0.000 3/35280 800.0 1.446 1.152 2.151 -0.000 -0.023 -0.000 3/35280 810.0 1.429 1.139 2.125 -0.000 -0.023 -0.000 3/35280 820.0 1.412 1.126 2.100 -0.000 -0.023 -0.000 3/35280 830.0 1.396 1.113 2.076 -0.000 -0.023 -0.000 3/35280 840.0 1.380 1.100 2.052 -0.000 -0.022 -0.000 3/35280 850.0 1.364 1.088 2.028 -0.000 -0.022 -0.000 3/35280 860.0 1.349 1.076 2.005 -0.000 -0.022 -0.000 3/35280 870.0 1.334 1.064 1.983 -0.000 -0.022 -0.000 3/35280 880.0 1.319 1.052 1.961 -0.000 -0.022 -0.000 3/35280 890.0 1.305 1.041 1.940 -0.000 -0.021 -0.000 3/35280 900.0 1.291 1.030 1.919 -0.000 -0.021 -0.000 3/35280 910.0 1.277 1.019 1.898 -0.000 -0.021 -0.000 3/35280 920.0 1.264 1.008 1.878 -0.000 -0.021 -0.000 3/35280 930.0 1.250 0.998 1.858 -0.000 -0.020 -0.000 3/35280 940.0 1.238 0.988 1.839 -0.000 -0.020 -0.000 3/35280 950.0 1.225 0.978 1.820 -0.000 -0.020 -0.000 3/35280 960.0 1.213 0.968 1.802 -0.000 -0.020 -0.000 3/35280 970.0 1.200 0.958 1.784 -0.000 -0.020 -0.000 3/35280 980.0 1.189 0.949 1.766 -0.000 -0.019 -0.000 3/35280 990.0 1.177 0.940 1.749 -0.000 -0.019 -0.000 3/35280 1000.0 1.165 0.931 1.731 -0.000 -0.019 -0.000 3/35280 Thermal conductivity related properties were written into "kappa-m7710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:35:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|