----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:08:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.264260200076587 0.000000000000000 0.000000000000000 b 0.000000000000000 6.780399969999999 0.000000000000000 c -3.986362043025919 0.000000000000000 12.288488309302851 Atomic positions (fractional): *1 Cs 0.56451615276297 0.75827386503616 0.38618777767828 132.905 2 Cs 0.43548384723703 0.25827386503616 0.11381222232172 132.905 3 Cs 0.43548384723703 0.24172613496384 0.61381222232172 132.905 4 Cs 0.56451615276297 0.74172613496384 0.88618777767828 132.905 *5 Si 0.83103261878538 0.25772254730991 0.35405957310155 28.085 6 Si 0.16896738121462 0.75772254730991 0.14594042689845 28.085 7 Si 0.16896738121462 0.74227745269009 0.64594042689845 28.085 8 Si 0.83103261878538 0.24227745269009 0.85405957310155 28.085 *9 Bi 0.04900143012274 0.83307726622005 0.36841982088110 208.980 10 Bi 0.95099856987726 0.33307726622005 0.13158017911890 208.980 11 Bi 0.95099856987726 0.16692273377995 0.63158017911890 208.980 12 Bi 0.04900143012274 0.66692273377995 0.86841982088110 208.980 *13 S 0.80099063700066 0.97720188406635 0.76168437261592 32.065 *14 S 0.06486770685231 0.21982021205506 0.45079818222085 32.065 *15 S 0.78818891688256 0.47231288703997 0.73684514550652 32.065 16 S 0.06486770685231 0.28017978794494 0.95079818222085 32.065 *17 S 0.69130418193260 0.25078755636028 0.45580498351534 32.065 18 S 0.19900936299934 0.02279811593365 0.23831562738408 32.065 19 S 0.30869581806740 0.75078755636028 0.04419501648466 32.065 20 S 0.93513229314769 0.78017978794494 0.54920181777915 32.065 21 S 0.69130418193260 0.24921244363972 0.95580498351534 32.065 22 S 0.21181108311744 0.52768711296003 0.26315485449348 32.065 23 S 0.21181108311744 0.97231288703997 0.76315485449348 32.065 24 S 0.30869581806740 0.74921244363972 0.54419501648466 32.065 25 S 0.80099063700066 0.52279811593365 0.26168437261592 32.065 26 S 0.78818891688256 0.02768711296003 0.23684514550652 32.065 27 S 0.19900936299934 0.47720188406635 0.73831562738408 32.065 28 S 0.93513229314769 0.71982021205506 0.04920181777915 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.264260200076587 0.000000000000000 0.000000000000000 b 0.000000000000000 6.780399969999999 0.000000000000000 c -3.986362043025919 0.000000000000000 12.288488309302851 Atomic positions (fractional): *1 Cs 0.56451615276297 0.75827386503616 0.38618777767828 132.905 > 1 2 Cs 0.43548384723703 0.25827386503616 0.11381222232172 132.905 > 2 3 Cs 0.43548384723703 0.24172613496384 0.61381222232172 132.905 > 3 4 Cs 0.56451615276297 0.74172613496384 0.88618777767828 132.905 > 4 *5 Si 0.83103261878538 0.25772254730991 0.35405957310155 28.085 > 5 6 Si 0.16896738121462 0.75772254730991 0.14594042689845 28.085 > 6 7 Si 0.16896738121462 0.74227745269009 0.64594042689845 28.085 > 7 8 Si 0.83103261878538 0.24227745269009 0.85405957310155 28.085 > 8 *9 Bi 0.04900143012274 0.83307726622005 0.36841982088110 208.980 > 9 10 Bi 0.95099856987726 0.33307726622005 0.13158017911890 208.980 > 10 11 Bi 0.95099856987726 0.16692273377995 0.63158017911890 208.980 > 11 12 Bi 0.04900143012274 0.66692273377995 0.86841982088110 208.980 > 12 *13 S 0.80099063700066 0.97720188406635 0.76168437261592 32.065 > 13 *14 S 0.06486770685231 0.21982021205506 0.45079818222085 32.065 > 14 *15 S 0.78818891688256 0.47231288703997 0.73684514550652 32.065 > 15 16 S 0.06486770685231 0.28017978794494 0.95079818222085 32.065 > 16 *17 S 0.69130418193260 0.25078755636028 0.45580498351534 32.065 > 17 18 S 0.19900936299934 0.02279811593365 0.23831562738408 32.065 > 18 19 S 0.30869581806740 0.75078755636028 0.04419501648466 32.065 > 19 20 S 0.93513229314769 0.78017978794494 0.54920181777915 32.065 > 20 21 S 0.69130418193260 0.24921244363972 0.95580498351534 32.065 > 21 22 S 0.21181108311744 0.52768711296003 0.26315485449348 32.065 > 22 23 S 0.21181108311744 0.97231288703997 0.76315485449348 32.065 > 23 24 S 0.30869581806740 0.74921244363972 0.54419501648466 32.065 > 24 25 S 0.80099063700066 0.52279811593365 0.26168437261592 32.065 > 25 26 S 0.78818891688256 0.02768711296003 0.23684514550652 32.065 > 26 27 S 0.19900936299934 0.47720188406635 0.73831562738408 32.065 > 27 28 S 0.93513229314769 0.71982021205506 0.04920181777915 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.528520400153173 0.000000000000000 0.000000000000000 b 0.000000000000000 13.560799939999997 0.000000000000000 c -3.986362043025919 0.000000000000000 12.288488309302851 Atomic positions (fractional): *1 Cs 0.28225807638148 0.37913693251808 0.38618777767828 132.905 > 1 2 Cs 0.78225807638149 0.37913693251808 0.38618777767828 132.905 > 1 3 Cs 0.28225807638148 0.87913693251808 0.38618777767828 132.905 > 1 4 Cs 0.78225807638149 0.87913693251808 0.38618777767828 132.905 > 1 5 Cs 0.21774192361851 0.12913693251808 0.11381222232172 132.905 > 2 6 Cs 0.71774192361851 0.12913693251808 0.11381222232172 132.905 > 2 7 Cs 0.21774192361851 0.62913693251808 0.11381222232172 132.905 > 2 8 Cs 0.71774192361851 0.62913693251808 0.11381222232172 132.905 > 2 9 Cs 0.21774192361851 0.12086306748192 0.61381222232172 132.905 > 3 10 Cs 0.71774192361851 0.12086306748192 0.61381222232172 132.905 > 3 11 Cs 0.21774192361851 0.62086306748192 0.61381222232172 132.905 > 3 12 Cs 0.71774192361851 0.62086306748192 0.61381222232172 132.905 > 3 13 Cs 0.28225807638148 0.37086306748192 0.88618777767828 132.905 > 4 14 Cs 0.78225807638149 0.37086306748192 0.88618777767828 132.905 > 4 15 Cs 0.28225807638148 0.87086306748192 0.88618777767828 132.905 > 4 16 Cs 0.78225807638149 0.87086306748192 0.88618777767828 132.905 > 4 *17 Si 0.41551630939269 0.12886127365496 0.35405957310155 28.085 > 5 18 Si 0.91551630939269 0.12886127365496 0.35405957310155 28.085 > 5 19 Si 0.41551630939269 0.62886127365496 0.35405957310155 28.085 > 5 20 Si 0.91551630939269 0.62886127365496 0.35405957310155 28.085 > 5 21 Si 0.08448369060731 0.37886127365496 0.14594042689845 28.085 > 6 22 Si 0.58448369060731 0.37886127365496 0.14594042689845 28.085 > 6 23 Si 0.08448369060731 0.87886127365496 0.14594042689845 28.085 > 6 24 Si 0.58448369060731 0.87886127365496 0.14594042689845 28.085 > 6 25 Si 0.08448369060731 0.37113872634504 0.64594042689845 28.085 > 7 26 Si 0.58448369060731 0.37113872634504 0.64594042689845 28.085 > 7 27 Si 0.08448369060731 0.87113872634504 0.64594042689845 28.085 > 7 28 Si 0.58448369060731 0.87113872634504 0.64594042689845 28.085 > 7 29 Si 0.41551630939269 0.12113872634504 0.85405957310155 28.085 > 8 30 Si 0.91551630939269 0.12113872634504 0.85405957310155 28.085 > 8 31 Si 0.41551630939269 0.62113872634504 0.85405957310155 28.085 > 8 32 Si 0.91551630939269 0.62113872634504 0.85405957310155 28.085 > 8 *33 Bi 0.02450071506137 0.41653863311002 0.36841982088110 208.980 > 9 34 Bi 0.52450071506137 0.41653863311002 0.36841982088110 208.980 > 9 35 Bi 0.02450071506137 0.91653863311002 0.36841982088110 208.980 > 9 36 Bi 0.52450071506137 0.91653863311002 0.36841982088110 208.980 > 9 37 Bi 0.47549928493863 0.16653863311003 0.13158017911890 208.980 > 10 38 Bi 0.97549928493863 0.16653863311003 0.13158017911890 208.980 > 10 39 Bi 0.47549928493863 0.66653863311003 0.13158017911890 208.980 > 10 40 Bi 0.97549928493863 0.66653863311003 0.13158017911890 208.980 > 10 41 Bi 0.47549928493863 0.08346136688998 0.63158017911890 208.980 > 11 42 Bi 0.97549928493863 0.08346136688998 0.63158017911890 208.980 > 11 43 Bi 0.47549928493863 0.58346136688997 0.63158017911890 208.980 > 11 44 Bi 0.97549928493863 0.58346136688997 0.63158017911890 208.980 > 11 45 Bi 0.02450071506137 0.33346136688998 0.86841982088110 208.980 > 12 46 Bi 0.52450071506137 0.33346136688998 0.86841982088110 208.980 > 12 47 Bi 0.02450071506137 0.83346136688998 0.86841982088110 208.980 > 12 48 Bi 0.52450071506137 0.83346136688998 0.86841982088110 208.980 > 12 *49 S 0.40049531850033 0.48860094203317 0.76168437261592 32.065 > 13 50 S 0.90049531850033 0.48860094203317 0.76168437261592 32.065 > 13 51 S 0.40049531850033 0.98860094203317 0.76168437261592 32.065 > 13 52 S 0.90049531850033 0.98860094203317 0.76168437261592 32.065 > 13 *53 S 0.03243385342615 0.10991010602753 0.45079818222085 32.065 > 14 54 S 0.53243385342615 0.10991010602753 0.45079818222085 32.065 > 14 55 S 0.03243385342615 0.60991010602753 0.45079818222085 32.065 > 14 56 S 0.53243385342615 0.60991010602753 0.45079818222085 32.065 > 14 *57 S 0.39409445844128 0.23615644351998 0.73684514550652 32.065 > 15 58 S 0.89409445844128 0.23615644351998 0.73684514550652 32.065 > 15 59 S 0.39409445844128 0.73615644351998 0.73684514550652 32.065 > 15 60 S 0.89409445844128 0.73615644351998 0.73684514550652 32.065 > 15 61 S 0.03243385342615 0.14008989397247 0.95079818222085 32.065 > 16 62 S 0.53243385342615 0.14008989397247 0.95079818222085 32.065 > 16 63 S 0.03243385342615 0.64008989397247 0.95079818222085 32.065 > 16 64 S 0.53243385342615 0.64008989397247 0.95079818222085 32.065 > 16 *65 S 0.34565209096630 0.12539377818014 0.45580498351534 32.065 > 17 66 S 0.84565209096630 0.12539377818014 0.45580498351534 32.065 > 17 67 S 0.34565209096630 0.62539377818014 0.45580498351534 32.065 > 17 68 S 0.84565209096630 0.62539377818014 0.45580498351534 32.065 > 17 69 S 0.09950468149967 0.01139905796683 0.23831562738408 32.065 > 18 70 S 0.59950468149967 0.01139905796683 0.23831562738408 32.065 > 18 71 S 0.09950468149967 0.51139905796683 0.23831562738408 32.065 > 18 72 S 0.59950468149967 0.51139905796683 0.23831562738408 32.065 > 18 73 S 0.15434790903370 0.37539377818014 0.04419501648466 32.065 > 19 74 S 0.65434790903370 0.37539377818014 0.04419501648466 32.065 > 19 75 S 0.15434790903370 0.87539377818014 0.04419501648466 32.065 > 19 76 S 0.65434790903370 0.87539377818014 0.04419501648466 32.065 > 19 77 S 0.46756614657385 0.39008989397247 0.54920181777915 32.065 > 20 78 S 0.96756614657385 0.39008989397247 0.54920181777915 32.065 > 20 79 S 0.46756614657385 0.89008989397247 0.54920181777915 32.065 > 20 80 S 0.96756614657385 0.89008989397247 0.54920181777915 32.065 > 20 81 S 0.34565209096630 0.12460622181986 0.95580498351534 32.065 > 21 82 S 0.84565209096630 0.12460622181986 0.95580498351534 32.065 > 21 83 S 0.34565209096630 0.62460622181986 0.95580498351534 32.065 > 21 84 S 0.84565209096630 0.62460622181986 0.95580498351534 32.065 > 21 85 S 0.10590554155872 0.26384355648002 0.26315485449348 32.065 > 22 86 S 0.60590554155872 0.26384355648002 0.26315485449348 32.065 > 22 87 S 0.10590554155872 0.76384355648002 0.26315485449348 32.065 > 22 88 S 0.60590554155872 0.76384355648002 0.26315485449348 32.065 > 22 89 S 0.10590554155872 0.48615644351998 0.76315485449348 32.065 > 23 90 S 0.60590554155872 0.48615644351998 0.76315485449348 32.065 > 23 91 S 0.10590554155872 0.98615644351998 0.76315485449348 32.065 > 23 92 S 0.60590554155872 0.98615644351998 0.76315485449348 32.065 > 23 93 S 0.15434790903370 0.37460622181986 0.54419501648466 32.065 > 24 94 S 0.65434790903370 0.37460622181986 0.54419501648466 32.065 > 24 95 S 0.15434790903370 0.87460622181986 0.54419501648466 32.065 > 24 96 S 0.65434790903370 0.87460622181986 0.54419501648466 32.065 > 24 97 S 0.40049531850033 0.26139905796683 0.26168437261592 32.065 > 25 98 S 0.90049531850033 0.26139905796683 0.26168437261592 32.065 > 25 99 S 0.40049531850033 0.76139905796683 0.26168437261592 32.065 > 25 100 S 0.90049531850033 0.76139905796683 0.26168437261592 32.065 > 25 101 S 0.39409445844128 0.01384355648002 0.23684514550652 32.065 > 26 102 S 0.89409445844128 0.01384355648002 0.23684514550652 32.065 > 26 103 S 0.39409445844128 0.51384355648002 0.23684514550652 32.065 > 26 104 S 0.89409445844128 0.51384355648002 0.23684514550652 32.065 > 26 105 S 0.09950468149967 0.23860094203317 0.73831562738408 32.065 > 27 106 S 0.59950468149967 0.23860094203317 0.73831562738408 32.065 > 27 107 S 0.09950468149967 0.73860094203317 0.73831562738408 32.065 > 27 108 S 0.59950468149967 0.73860094203317 0.73831562738408 32.065 > 27 109 S 0.46756614657385 0.35991010602753 0.04920181777915 32.065 > 28 110 S 0.96756614657385 0.35991010602753 0.04920181777915 32.065 > 28 111 S 0.46756614657385 0.85991010602753 0.04920181777915 32.065 > 28 112 S 0.96756614657385 0.85991010602753 0.04920181777915 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7745288 0.0000000 -0.7743423 0.0000000 6.4303800 0.0000000 -0.7743386 0.0000000 6.6257524 -------------------------- Born effective charges -------------------------- 1 Cs 2.0606448 0.0247231 0.1809872 0.0460556 1.3002224 0.0885226 0.1867304 0.0447381 1.1978291 2 Cs 2.0606448 -0.0247231 0.1809872 -0.0460556 1.3002224 -0.0885226 0.1867304 -0.0447381 1.1978291 3 Cs 2.0606448 0.0247231 0.1809872 0.0460556 1.3002224 0.0885226 0.1867304 0.0447381 1.1978291 4 Cs 2.0606448 -0.0247231 0.1809872 -0.0460556 1.3002224 -0.0885226 0.1867304 -0.0447381 1.1978291 5 Si 1.2415203 0.0894401 -1.1596518 -0.5562045 2.5234501 -1.1099106 -0.6140822 -0.7235620 3.0141953 6 Si 1.2415203 -0.0894401 -1.1596518 0.5562045 2.5234501 1.1099106 -0.6140822 0.7235620 3.0141953 7 Si 1.2415203 0.0894401 -1.1596518 -0.5562045 2.5234501 -1.1099106 -0.6140822 -0.7235620 3.0141953 8 Si 1.2415203 -0.0894401 -1.1596518 0.5562045 2.5234501 1.1099106 -0.6140822 0.7235620 3.0141953 9 Bi 2.7694667 -0.6007248 -0.9010859 -0.8379502 4.6096723 0.2591715 -1.0266787 0.3473847 5.6917726 10 Bi 2.7694667 0.6007248 -0.9010859 0.8379502 4.6096723 -0.2591715 -1.0266787 -0.3473847 5.6917726 11 Bi 2.7694667 -0.6007248 -0.9010859 -0.8379502 4.6096723 0.2591715 -1.0266787 0.3473847 5.6917726 12 Bi 2.7694667 0.6007248 -0.9010859 0.8379502 4.6096723 -0.2591715 -1.0266787 -0.3473847 5.6917726 13 S -1.4456387 -0.0037160 0.7322686 0.3537005 -2.7493614 0.0217319 0.8866330 0.0236518 -2.2825268 14 S -1.2842661 0.3634560 0.6289582 0.6092668 -2.0565944 -0.1121200 0.4400468 -0.4846835 -2.7365360 15 S -1.4497486 -0.1179673 0.2197860 -0.2347688 -2.5246429 -0.6317747 -0.1181156 -0.4633308 -2.1584027 16 S -1.2842661 -0.3634560 0.6289582 -0.6092668 -2.0565944 0.1121200 0.4400468 0.4846835 -2.7365360 17 S -1.8919784 0.0386522 0.2987376 0.4020962 -1.1027460 0.6255895 0.2454665 0.3541820 -2.7263315 18 S -1.4456387 -0.0037160 0.7322686 0.3537005 -2.7493614 0.0217319 0.8866330 0.0236518 -2.2825268 19 S -1.8919784 -0.0386522 0.2987376 -0.4020962 -1.1027460 -0.6255895 0.2454665 -0.3541820 -2.7263315 20 S -1.2842661 0.3634560 0.6289582 0.6092668 -2.0565944 -0.1121200 0.4400468 -0.4846835 -2.7365360 21 S -1.8919784 -0.0386522 0.2987376 -0.4020962 -1.1027460 -0.6255895 0.2454665 -0.3541820 -2.7263315 22 S -1.4497486 -0.1179673 0.2197860 -0.2347688 -2.5246429 -0.6317747 -0.1181156 -0.4633308 -2.1584027 23 S -1.4497486 0.1179673 0.2197860 0.2347688 -2.5246429 0.6317747 -0.1181156 0.4633308 -2.1584027 24 S -1.8919784 0.0386522 0.2987376 0.4020962 -1.1027460 0.6255895 0.2454665 0.3541820 -2.7263315 25 S -1.4456387 0.0037160 0.7322686 -0.3537005 -2.7493614 -0.0217319 0.8866330 -0.0236518 -2.2825268 26 S -1.4497486 0.1179673 0.2197860 0.2347688 -2.5246429 0.6317747 -0.1181156 0.4633308 -2.1584027 27 S -1.4456387 0.0037160 0.7322686 -0.3537005 -2.7493614 -0.0217319 0.8866330 -0.0236518 -2.2825268 28 S -1.2842661 -0.3634560 0.6289582 -0.6092668 -2.0565944 0.1121200 0.4400468 0.4846835 -2.7365360 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 880 - Time: 1.651 Solver_block: 200 / 880 - Time: 1.155 Solver_block: 300 / 880 - Time: 1.248 Solver_block: 400 / 880 - Time: 1.360 Solver_block: 500 / 880 - Time: 1.707 Solver_block: 600 / 880 - Time: 1.226 Solver_block: 700 / 880 - Time: 1.103 Solver_block: 800 / 880 - Time: 1.136 Solver_block: 880 / 880 - Time: 1.092 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.374 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:09:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:09:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.264260200076587 0.000000000000000 0.000000000000000 b 0.000000000000000 6.780399969999999 0.000000000000000 c -3.986362043025919 0.000000000000000 12.288488309302851 Atomic positions (fractional): 1 Cs 0.56451615276297 0.75827386503616 0.38618777767828 132.905 2 Cs 0.43548384723703 0.25827386503616 0.11381222232172 132.905 3 Cs 0.43548384723703 0.24172613496384 0.61381222232172 132.905 4 Cs 0.56451615276297 0.74172613496384 0.88618777767828 132.905 5 Si 0.83103261878538 0.25772254730991 0.35405957310155 28.085 6 Si 0.16896738121462 0.75772254730991 0.14594042689845 28.085 7 Si 0.16896738121462 0.74227745269009 0.64594042689845 28.085 8 Si 0.83103261878538 0.24227745269009 0.85405957310155 28.085 9 Bi 0.04900143012274 0.83307726622005 0.36841982088110 208.980 10 Bi 0.95099856987726 0.33307726622005 0.13158017911890 208.980 11 Bi 0.95099856987726 0.16692273377995 0.63158017911890 208.980 12 Bi 0.04900143012274 0.66692273377995 0.86841982088110 208.980 13 S 0.80099063700066 0.97720188406635 0.76168437261592 32.065 14 S 0.06486770685231 0.21982021205506 0.45079818222085 32.065 15 S 0.78818891688256 0.47231288703997 0.73684514550652 32.065 16 S 0.06486770685231 0.28017978794494 0.95079818222085 32.065 17 S 0.69130418193260 0.25078755636028 0.45580498351534 32.065 18 S 0.19900936299934 0.02279811593365 0.23831562738408 32.065 19 S 0.30869581806740 0.75078755636028 0.04419501648466 32.065 20 S 0.93513229314769 0.78017978794494 0.54920181777915 32.065 21 S 0.69130418193260 0.24921244363972 0.95580498351534 32.065 22 S 0.21181108311744 0.52768711296003 0.26315485449348 32.065 23 S 0.21181108311744 0.97231288703997 0.76315485449348 32.065 24 S 0.30869581806740 0.74921244363972 0.54419501648466 32.065 25 S 0.80099063700066 0.52279811593365 0.26168437261592 32.065 26 S 0.78818891688256 0.02768711296003 0.23684514550652 32.065 27 S 0.19900936299934 0.47720188406635 0.73831562738408 32.065 28 S 0.93513229314769 0.71982021205506 0.04920181777915 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.528520400153173 0.000000000000000 0.000000000000000 b 0.000000000000000 13.560799939999997 0.000000000000000 c -3.986362043025919 0.000000000000000 12.288488309302851 Atomic positions (fractional): 1 Cs 0.28225807638148 0.37913693251808 0.38618777767828 132.905 > 1 2 Cs 0.78225807638149 0.37913693251808 0.38618777767828 132.905 > 1 3 Cs 0.28225807638148 0.87913693251808 0.38618777767828 132.905 > 1 4 Cs 0.78225807638149 0.87913693251808 0.38618777767828 132.905 > 1 5 Cs 0.21774192361851 0.12913693251808 0.11381222232172 132.905 > 5 6 Cs 0.71774192361851 0.12913693251808 0.11381222232172 132.905 > 5 7 Cs 0.21774192361851 0.62913693251808 0.11381222232172 132.905 > 5 8 Cs 0.71774192361851 0.62913693251808 0.11381222232172 132.905 > 5 9 Cs 0.21774192361851 0.12086306748192 0.61381222232172 132.905 > 9 10 Cs 0.71774192361851 0.12086306748192 0.61381222232172 132.905 > 9 11 Cs 0.21774192361851 0.62086306748192 0.61381222232172 132.905 > 9 12 Cs 0.71774192361851 0.62086306748192 0.61381222232172 132.905 > 9 13 Cs 0.28225807638148 0.37086306748192 0.88618777767828 132.905 > 13 14 Cs 0.78225807638149 0.37086306748192 0.88618777767828 132.905 > 13 15 Cs 0.28225807638148 0.87086306748192 0.88618777767828 132.905 > 13 16 Cs 0.78225807638149 0.87086306748192 0.88618777767828 132.905 > 13 17 Si 0.41551630939269 0.12886127365496 0.35405957310155 28.085 > 17 18 Si 0.91551630939269 0.12886127365496 0.35405957310155 28.085 > 17 19 Si 0.41551630939269 0.62886127365496 0.35405957310155 28.085 > 17 20 Si 0.91551630939269 0.62886127365496 0.35405957310155 28.085 > 17 21 Si 0.08448369060731 0.37886127365496 0.14594042689845 28.085 > 21 22 Si 0.58448369060731 0.37886127365496 0.14594042689845 28.085 > 21 23 Si 0.08448369060731 0.87886127365496 0.14594042689845 28.085 > 21 24 Si 0.58448369060731 0.87886127365496 0.14594042689845 28.085 > 21 25 Si 0.08448369060731 0.37113872634504 0.64594042689845 28.085 > 25 26 Si 0.58448369060731 0.37113872634504 0.64594042689845 28.085 > 25 27 Si 0.08448369060731 0.87113872634504 0.64594042689845 28.085 > 25 28 Si 0.58448369060731 0.87113872634504 0.64594042689845 28.085 > 25 29 Si 0.41551630939269 0.12113872634504 0.85405957310155 28.085 > 29 30 Si 0.91551630939269 0.12113872634504 0.85405957310155 28.085 > 29 31 Si 0.41551630939269 0.62113872634504 0.85405957310155 28.085 > 29 32 Si 0.91551630939269 0.62113872634504 0.85405957310155 28.085 > 29 33 Bi 0.02450071506137 0.41653863311002 0.36841982088110 208.980 > 33 34 Bi 0.52450071506137 0.41653863311002 0.36841982088110 208.980 > 33 35 Bi 0.02450071506137 0.91653863311002 0.36841982088110 208.980 > 33 36 Bi 0.52450071506137 0.91653863311002 0.36841982088110 208.980 > 33 37 Bi 0.47549928493863 0.16653863311003 0.13158017911890 208.980 > 37 38 Bi 0.97549928493863 0.16653863311003 0.13158017911890 208.980 > 37 39 Bi 0.47549928493863 0.66653863311003 0.13158017911890 208.980 > 37 40 Bi 0.97549928493863 0.66653863311003 0.13158017911890 208.980 > 37 41 Bi 0.47549928493863 0.08346136688998 0.63158017911890 208.980 > 41 42 Bi 0.97549928493863 0.08346136688998 0.63158017911890 208.980 > 41 43 Bi 0.47549928493863 0.58346136688997 0.63158017911890 208.980 > 41 44 Bi 0.97549928493863 0.58346136688997 0.63158017911890 208.980 > 41 45 Bi 0.02450071506137 0.33346136688998 0.86841982088110 208.980 > 45 46 Bi 0.52450071506137 0.33346136688998 0.86841982088110 208.980 > 45 47 Bi 0.02450071506137 0.83346136688998 0.86841982088110 208.980 > 45 48 Bi 0.52450071506137 0.83346136688998 0.86841982088110 208.980 > 45 49 S 0.40049531850033 0.48860094203317 0.76168437261592 32.065 > 49 50 S 0.90049531850033 0.48860094203317 0.76168437261592 32.065 > 49 51 S 0.40049531850033 0.98860094203317 0.76168437261592 32.065 > 49 52 S 0.90049531850033 0.98860094203317 0.76168437261592 32.065 > 49 53 S 0.03243385342615 0.10991010602753 0.45079818222085 32.065 > 53 54 S 0.53243385342615 0.10991010602753 0.45079818222085 32.065 > 53 55 S 0.03243385342615 0.60991010602753 0.45079818222085 32.065 > 53 56 S 0.53243385342615 0.60991010602753 0.45079818222085 32.065 > 53 57 S 0.39409445844128 0.23615644351998 0.73684514550652 32.065 > 57 58 S 0.89409445844128 0.23615644351998 0.73684514550652 32.065 > 57 59 S 0.39409445844128 0.73615644351998 0.73684514550652 32.065 > 57 60 S 0.89409445844128 0.73615644351998 0.73684514550652 32.065 > 57 61 S 0.03243385342615 0.14008989397247 0.95079818222085 32.065 > 61 62 S 0.53243385342615 0.14008989397247 0.95079818222085 32.065 > 61 63 S 0.03243385342615 0.64008989397247 0.95079818222085 32.065 > 61 64 S 0.53243385342615 0.64008989397247 0.95079818222085 32.065 > 61 65 S 0.34565209096630 0.12539377818014 0.45580498351534 32.065 > 65 66 S 0.84565209096630 0.12539377818014 0.45580498351534 32.065 > 65 67 S 0.34565209096630 0.62539377818014 0.45580498351534 32.065 > 65 68 S 0.84565209096630 0.62539377818014 0.45580498351534 32.065 > 65 69 S 0.09950468149967 0.01139905796683 0.23831562738408 32.065 > 69 70 S 0.59950468149967 0.01139905796683 0.23831562738408 32.065 > 69 71 S 0.09950468149967 0.51139905796683 0.23831562738408 32.065 > 69 72 S 0.59950468149967 0.51139905796683 0.23831562738408 32.065 > 69 73 S 0.15434790903370 0.37539377818014 0.04419501648466 32.065 > 73 74 S 0.65434790903370 0.37539377818014 0.04419501648466 32.065 > 73 75 S 0.15434790903370 0.87539377818014 0.04419501648466 32.065 > 73 76 S 0.65434790903370 0.87539377818014 0.04419501648466 32.065 > 73 77 S 0.46756614657385 0.39008989397247 0.54920181777915 32.065 > 77 78 S 0.96756614657385 0.39008989397247 0.54920181777915 32.065 > 77 79 S 0.46756614657385 0.89008989397247 0.54920181777915 32.065 > 77 80 S 0.96756614657385 0.89008989397247 0.54920181777915 32.065 > 77 81 S 0.34565209096630 0.12460622181986 0.95580498351534 32.065 > 81 82 S 0.84565209096630 0.12460622181986 0.95580498351534 32.065 > 81 83 S 0.34565209096630 0.62460622181986 0.95580498351534 32.065 > 81 84 S 0.84565209096630 0.62460622181986 0.95580498351534 32.065 > 81 85 S 0.10590554155872 0.26384355648002 0.26315485449348 32.065 > 85 86 S 0.60590554155872 0.26384355648002 0.26315485449348 32.065 > 85 87 S 0.10590554155872 0.76384355648002 0.26315485449348 32.065 > 85 88 S 0.60590554155872 0.76384355648002 0.26315485449348 32.065 > 85 89 S 0.10590554155872 0.48615644351998 0.76315485449348 32.065 > 89 90 S 0.60590554155872 0.48615644351998 0.76315485449348 32.065 > 89 91 S 0.10590554155872 0.98615644351998 0.76315485449348 32.065 > 89 92 S 0.60590554155872 0.98615644351998 0.76315485449348 32.065 > 89 93 S 0.15434790903370 0.37460622181986 0.54419501648466 32.065 > 93 94 S 0.65434790903370 0.37460622181986 0.54419501648466 32.065 > 93 95 S 0.15434790903370 0.87460622181986 0.54419501648466 32.065 > 93 96 S 0.65434790903370 0.87460622181986 0.54419501648466 32.065 > 93 97 S 0.40049531850033 0.26139905796683 0.26168437261592 32.065 > 97 98 S 0.90049531850033 0.26139905796683 0.26168437261592 32.065 > 97 99 S 0.40049531850033 0.76139905796683 0.26168437261592 32.065 > 97 100 S 0.90049531850033 0.76139905796683 0.26168437261592 32.065 > 97 101 S 0.39409445844128 0.01384355648002 0.23684514550652 32.065 > 101 102 S 0.89409445844128 0.01384355648002 0.23684514550652 32.065 > 101 103 S 0.39409445844128 0.51384355648002 0.23684514550652 32.065 > 101 104 S 0.89409445844128 0.51384355648002 0.23684514550652 32.065 > 101 105 S 0.09950468149967 0.23860094203317 0.73831562738408 32.065 > 105 106 S 0.59950468149967 0.23860094203317 0.73831562738408 32.065 > 105 107 S 0.09950468149967 0.73860094203317 0.73831562738408 32.065 > 105 108 S 0.59950468149967 0.73860094203317 0.73831562738408 32.065 > 105 109 S 0.46756614657385 0.35991010602753 0.04920181777915 32.065 > 109 110 S 0.96756614657385 0.35991010602753 0.04920181777915 32.065 > 109 111 S 0.46756614657385 0.85991010602753 0.04920181777915 32.065 > 109 112 S 0.96756614657385 0.85991010602753 0.04920181777915 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.7745288 0.0000000 -0.7743423 0.0000000 6.4303800 0.0000000 -0.7743386 0.0000000 6.6257524 -------------------------- Born effective charges -------------------------- 1 Cs 2.0606448 0.0247231 0.1809872 0.0460556 1.3002224 0.0885226 0.1867304 0.0447381 1.1978291 2 Cs 2.0606448 -0.0247231 0.1809872 -0.0460556 1.3002224 -0.0885226 0.1867304 -0.0447381 1.1978291 3 Cs 2.0606448 0.0247231 0.1809872 0.0460556 1.3002224 0.0885226 0.1867304 0.0447381 1.1978291 4 Cs 2.0606448 -0.0247231 0.1809872 -0.0460556 1.3002224 -0.0885226 0.1867304 -0.0447381 1.1978291 5 Si 1.2415203 0.0894401 -1.1596518 -0.5562045 2.5234501 -1.1099106 -0.6140822 -0.7235620 3.0141953 6 Si 1.2415203 -0.0894401 -1.1596518 0.5562045 2.5234501 1.1099106 -0.6140822 0.7235620 3.0141953 7 Si 1.2415203 0.0894401 -1.1596518 -0.5562045 2.5234501 -1.1099106 -0.6140822 -0.7235620 3.0141953 8 Si 1.2415203 -0.0894401 -1.1596518 0.5562045 2.5234501 1.1099106 -0.6140822 0.7235620 3.0141953 9 Bi 2.7694667 -0.6007248 -0.9010859 -0.8379502 4.6096723 0.2591715 -1.0266787 0.3473847 5.6917726 10 Bi 2.7694667 0.6007248 -0.9010859 0.8379502 4.6096723 -0.2591715 -1.0266787 -0.3473847 5.6917726 11 Bi 2.7694667 -0.6007248 -0.9010859 -0.8379502 4.6096723 0.2591715 -1.0266787 0.3473847 5.6917726 12 Bi 2.7694667 0.6007248 -0.9010859 0.8379502 4.6096723 -0.2591715 -1.0266787 -0.3473847 5.6917726 13 S -1.4456387 -0.0037160 0.7322686 0.3537005 -2.7493614 0.0217319 0.8866330 0.0236518 -2.2825268 14 S -1.2842661 0.3634560 0.6289582 0.6092668 -2.0565944 -0.1121200 0.4400468 -0.4846835 -2.7365360 15 S -1.4497486 -0.1179673 0.2197860 -0.2347688 -2.5246429 -0.6317747 -0.1181156 -0.4633308 -2.1584027 16 S -1.2842661 -0.3634560 0.6289582 -0.6092668 -2.0565944 0.1121200 0.4400468 0.4846835 -2.7365360 17 S -1.8919784 0.0386522 0.2987376 0.4020962 -1.1027460 0.6255895 0.2454665 0.3541820 -2.7263315 18 S -1.4456387 -0.0037160 0.7322686 0.3537005 -2.7493614 0.0217319 0.8866330 0.0236518 -2.2825268 19 S -1.8919784 -0.0386522 0.2987376 -0.4020962 -1.1027460 -0.6255895 0.2454665 -0.3541820 -2.7263315 20 S -1.2842661 0.3634560 0.6289582 0.6092668 -2.0565944 -0.1121200 0.4400468 -0.4846835 -2.7365360 21 S -1.8919784 -0.0386522 0.2987376 -0.4020962 -1.1027460 -0.6255895 0.2454665 -0.3541820 -2.7263315 22 S -1.4497486 -0.1179673 0.2197860 -0.2347688 -2.5246429 -0.6317747 -0.1181156 -0.4633308 -2.1584027 23 S -1.4497486 0.1179673 0.2197860 0.2347688 -2.5246429 0.6317747 -0.1181156 0.4633308 -2.1584027 24 S -1.8919784 0.0386522 0.2987376 0.4020962 -1.1027460 0.6255895 0.2454665 0.3541820 -2.7263315 25 S -1.4456387 0.0037160 0.7322686 -0.3537005 -2.7493614 -0.0217319 0.8866330 -0.0236518 -2.2825268 26 S -1.4497486 0.1179673 0.2197860 0.2347688 -2.5246429 0.6317747 -0.1181156 0.4633308 -2.1584027 27 S -1.4456387 0.0037160 0.7322686 -0.3537005 -2.7493614 -0.0217319 0.8866330 -0.0236518 -2.2825268 28 S -1.2842661 -0.3634560 0.6289582 -0.6092668 -2.0565944 0.1121200 0.4400468 0.4846835 -2.7365360 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 53, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:10:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:10:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.264260200076587 0.000000000000000 0.000000000000000 b 0.000000000000000 6.780399969999999 0.000000000000000 c -3.986362043025919 0.000000000000000 12.288488309302851 Atomic positions (fractional): 1 Cs 0.56451615276297 0.75827386503616 0.38618777767828 132.905 2 Cs 0.43548384723703 0.25827386503616 0.11381222232172 132.905 3 Cs 0.43548384723703 0.24172613496384 0.61381222232172 132.905 4 Cs 0.56451615276297 0.74172613496384 0.88618777767828 132.905 5 Si 0.83103261878538 0.25772254730991 0.35405957310155 28.085 6 Si 0.16896738121462 0.75772254730991 0.14594042689845 28.085 7 Si 0.16896738121462 0.74227745269009 0.64594042689845 28.085 8 Si 0.83103261878538 0.24227745269009 0.85405957310155 28.085 9 Bi 0.04900143012274 0.83307726622005 0.36841982088110 208.980 10 Bi 0.95099856987726 0.33307726622005 0.13158017911890 208.980 11 Bi 0.95099856987726 0.16692273377995 0.63158017911890 208.980 12 Bi 0.04900143012274 0.66692273377995 0.86841982088110 208.980 13 S 0.80099063700066 0.97720188406635 0.76168437261592 32.065 14 S 0.06486770685231 0.21982021205506 0.45079818222085 32.065 15 S 0.78818891688256 0.47231288703997 0.73684514550652 32.065 16 S 0.06486770685231 0.28017978794494 0.95079818222085 32.065 17 S 0.69130418193260 0.25078755636028 0.45580498351534 32.065 18 S 0.19900936299934 0.02279811593365 0.23831562738408 32.065 19 S 0.30869581806740 0.75078755636028 0.04419501648466 32.065 20 S 0.93513229314769 0.78017978794494 0.54920181777915 32.065 21 S 0.69130418193260 0.24921244363972 0.95580498351534 32.065 22 S 0.21181108311744 0.52768711296003 0.26315485449348 32.065 23 S 0.21181108311744 0.97231288703997 0.76315485449348 32.065 24 S 0.30869581806740 0.74921244363972 0.54419501648466 32.065 25 S 0.80099063700066 0.52279811593365 0.26168437261592 32.065 26 S 0.78818891688256 0.02768711296003 0.23684514550652 32.065 27 S 0.19900936299934 0.47720188406635 0.73831562738408 32.065 28 S 0.93513229314769 0.71982021205506 0.04920181777915 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.528520400153173 0.000000000000000 0.000000000000000 b 0.000000000000000 13.560799939999997 0.000000000000000 c -3.986362043025919 0.000000000000000 12.288488309302851 Atomic positions (fractional): 1 Cs 0.28225807638148 0.37913693251808 0.38618777767828 132.905 > 1 2 Cs 0.78225807638149 0.37913693251808 0.38618777767828 132.905 > 1 3 Cs 0.28225807638148 0.87913693251808 0.38618777767828 132.905 > 1 4 Cs 0.78225807638149 0.87913693251808 0.38618777767828 132.905 > 1 5 Cs 0.21774192361851 0.12913693251808 0.11381222232172 132.905 > 5 6 Cs 0.71774192361851 0.12913693251808 0.11381222232172 132.905 > 5 7 Cs 0.21774192361851 0.62913693251808 0.11381222232172 132.905 > 5 8 Cs 0.71774192361851 0.62913693251808 0.11381222232172 132.905 > 5 9 Cs 0.21774192361851 0.12086306748192 0.61381222232172 132.905 > 9 10 Cs 0.71774192361851 0.12086306748192 0.61381222232172 132.905 > 9 11 Cs 0.21774192361851 0.62086306748192 0.61381222232172 132.905 > 9 12 Cs 0.71774192361851 0.62086306748192 0.61381222232172 132.905 > 9 13 Cs 0.28225807638148 0.37086306748192 0.88618777767828 132.905 > 13 14 Cs 0.78225807638149 0.37086306748192 0.88618777767828 132.905 > 13 15 Cs 0.28225807638148 0.87086306748192 0.88618777767828 132.905 > 13 16 Cs 0.78225807638149 0.87086306748192 0.88618777767828 132.905 > 13 17 Si 0.41551630939269 0.12886127365496 0.35405957310155 28.085 > 17 18 Si 0.91551630939269 0.12886127365496 0.35405957310155 28.085 > 17 19 Si 0.41551630939269 0.62886127365496 0.35405957310155 28.085 > 17 20 Si 0.91551630939269 0.62886127365496 0.35405957310155 28.085 > 17 21 Si 0.08448369060731 0.37886127365496 0.14594042689845 28.085 > 21 22 Si 0.58448369060731 0.37886127365496 0.14594042689845 28.085 > 21 23 Si 0.08448369060731 0.87886127365496 0.14594042689845 28.085 > 21 24 Si 0.58448369060731 0.87886127365496 0.14594042689845 28.085 > 21 25 Si 0.08448369060731 0.37113872634504 0.64594042689845 28.085 > 25 26 Si 0.58448369060731 0.37113872634504 0.64594042689845 28.085 > 25 27 Si 0.08448369060731 0.87113872634504 0.64594042689845 28.085 > 25 28 Si 0.58448369060731 0.87113872634504 0.64594042689845 28.085 > 25 29 Si 0.41551630939269 0.12113872634504 0.85405957310155 28.085 > 29 30 Si 0.91551630939269 0.12113872634504 0.85405957310155 28.085 > 29 31 Si 0.41551630939269 0.62113872634504 0.85405957310155 28.085 > 29 32 Si 0.91551630939269 0.62113872634504 0.85405957310155 28.085 > 29 33 Bi 0.02450071506137 0.41653863311002 0.36841982088110 208.980 > 33 34 Bi 0.52450071506137 0.41653863311002 0.36841982088110 208.980 > 33 35 Bi 0.02450071506137 0.91653863311002 0.36841982088110 208.980 > 33 36 Bi 0.52450071506137 0.91653863311002 0.36841982088110 208.980 > 33 37 Bi 0.47549928493863 0.16653863311003 0.13158017911890 208.980 > 37 38 Bi 0.97549928493863 0.16653863311003 0.13158017911890 208.980 > 37 39 Bi 0.47549928493863 0.66653863311003 0.13158017911890 208.980 > 37 40 Bi 0.97549928493863 0.66653863311003 0.13158017911890 208.980 > 37 41 Bi 0.47549928493863 0.08346136688998 0.63158017911890 208.980 > 41 42 Bi 0.97549928493863 0.08346136688998 0.63158017911890 208.980 > 41 43 Bi 0.47549928493863 0.58346136688997 0.63158017911890 208.980 > 41 44 Bi 0.97549928493863 0.58346136688997 0.63158017911890 208.980 > 41 45 Bi 0.02450071506137 0.33346136688998 0.86841982088110 208.980 > 45 46 Bi 0.52450071506137 0.33346136688998 0.86841982088110 208.980 > 45 47 Bi 0.02450071506137 0.83346136688998 0.86841982088110 208.980 > 45 48 Bi 0.52450071506137 0.83346136688998 0.86841982088110 208.980 > 45 49 S 0.40049531850033 0.48860094203317 0.76168437261592 32.065 > 49 50 S 0.90049531850033 0.48860094203317 0.76168437261592 32.065 > 49 51 S 0.40049531850033 0.98860094203317 0.76168437261592 32.065 > 49 52 S 0.90049531850033 0.98860094203317 0.76168437261592 32.065 > 49 53 S 0.03243385342615 0.10991010602753 0.45079818222085 32.065 > 53 54 S 0.53243385342615 0.10991010602753 0.45079818222085 32.065 > 53 55 S 0.03243385342615 0.60991010602753 0.45079818222085 32.065 > 53 56 S 0.53243385342615 0.60991010602753 0.45079818222085 32.065 > 53 57 S 0.39409445844128 0.23615644351998 0.73684514550652 32.065 > 57 58 S 0.89409445844128 0.23615644351998 0.73684514550652 32.065 > 57 59 S 0.39409445844128 0.73615644351998 0.73684514550652 32.065 > 57 60 S 0.89409445844128 0.73615644351998 0.73684514550652 32.065 > 57 61 S 0.03243385342615 0.14008989397247 0.95079818222085 32.065 > 61 62 S 0.53243385342615 0.14008989397247 0.95079818222085 32.065 > 61 63 S 0.03243385342615 0.64008989397247 0.95079818222085 32.065 > 61 64 S 0.53243385342615 0.64008989397247 0.95079818222085 32.065 > 61 65 S 0.34565209096630 0.12539377818014 0.45580498351534 32.065 > 65 66 S 0.84565209096630 0.12539377818014 0.45580498351534 32.065 > 65 67 S 0.34565209096630 0.62539377818014 0.45580498351534 32.065 > 65 68 S 0.84565209096630 0.62539377818014 0.45580498351534 32.065 > 65 69 S 0.09950468149967 0.01139905796683 0.23831562738408 32.065 > 69 70 S 0.59950468149967 0.01139905796683 0.23831562738408 32.065 > 69 71 S 0.09950468149967 0.51139905796683 0.23831562738408 32.065 > 69 72 S 0.59950468149967 0.51139905796683 0.23831562738408 32.065 > 69 73 S 0.15434790903370 0.37539377818014 0.04419501648466 32.065 > 73 74 S 0.65434790903370 0.37539377818014 0.04419501648466 32.065 > 73 75 S 0.15434790903370 0.87539377818014 0.04419501648466 32.065 > 73 76 S 0.65434790903370 0.87539377818014 0.04419501648466 32.065 > 73 77 S 0.46756614657385 0.39008989397247 0.54920181777915 32.065 > 77 78 S 0.96756614657385 0.39008989397247 0.54920181777915 32.065 > 77 79 S 0.46756614657385 0.89008989397247 0.54920181777915 32.065 > 77 80 S 0.96756614657385 0.89008989397247 0.54920181777915 32.065 > 77 81 S 0.34565209096630 0.12460622181986 0.95580498351534 32.065 > 81 82 S 0.84565209096630 0.12460622181986 0.95580498351534 32.065 > 81 83 S 0.34565209096630 0.62460622181986 0.95580498351534 32.065 > 81 84 S 0.84565209096630 0.62460622181986 0.95580498351534 32.065 > 81 85 S 0.10590554155872 0.26384355648002 0.26315485449348 32.065 > 85 86 S 0.60590554155872 0.26384355648002 0.26315485449348 32.065 > 85 87 S 0.10590554155872 0.76384355648002 0.26315485449348 32.065 > 85 88 S 0.60590554155872 0.76384355648002 0.26315485449348 32.065 > 85 89 S 0.10590554155872 0.48615644351998 0.76315485449348 32.065 > 89 90 S 0.60590554155872 0.48615644351998 0.76315485449348 32.065 > 89 91 S 0.10590554155872 0.98615644351998 0.76315485449348 32.065 > 89 92 S 0.60590554155872 0.98615644351998 0.76315485449348 32.065 > 89 93 S 0.15434790903370 0.37460622181986 0.54419501648466 32.065 > 93 94 S 0.65434790903370 0.37460622181986 0.54419501648466 32.065 > 93 95 S 0.15434790903370 0.87460622181986 0.54419501648466 32.065 > 93 96 S 0.65434790903370 0.87460622181986 0.54419501648466 32.065 > 93 97 S 0.40049531850033 0.26139905796683 0.26168437261592 32.065 > 97 98 S 0.90049531850033 0.26139905796683 0.26168437261592 32.065 > 97 99 S 0.40049531850033 0.76139905796683 0.26168437261592 32.065 > 97 100 S 0.90049531850033 0.76139905796683 0.26168437261592 32.065 > 97 101 S 0.39409445844128 0.01384355648002 0.23684514550652 32.065 > 101 102 S 0.89409445844128 0.01384355648002 0.23684514550652 32.065 > 101 103 S 0.39409445844128 0.51384355648002 0.23684514550652 32.065 > 101 104 S 0.89409445844128 0.51384355648002 0.23684514550652 32.065 > 101 105 S 0.09950468149967 0.23860094203317 0.73831562738408 32.065 > 105 106 S 0.59950468149967 0.23860094203317 0.73831562738408 32.065 > 105 107 S 0.09950468149967 0.73860094203317 0.73831562738408 32.065 > 105 108 S 0.59950468149967 0.73860094203317 0.73831562738408 32.065 > 105 109 S 0.46756614657385 0.35991010602753 0.04920181777915 32.065 > 109 110 S 0.96756614657385 0.35991010602753 0.04920181777915 32.065 > 109 111 S 0.46756614657385 0.85991010602753 0.04920181777915 32.065 > 109 112 S 0.96756614657385 0.85991010602753 0.04920181777915 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.7745288 0.0000000 -0.7743423 0.0000000 6.4303800 0.0000000 -0.7743386 0.0000000 6.6257524 -------------------------- Born effective charges -------------------------- 1 Cs 2.0606448 0.0247231 0.1809872 0.0460556 1.3002224 0.0885226 0.1867304 0.0447381 1.1978291 2 Cs 2.0606448 -0.0247231 0.1809872 -0.0460556 1.3002224 -0.0885226 0.1867304 -0.0447381 1.1978291 3 Cs 2.0606448 0.0247231 0.1809872 0.0460556 1.3002224 0.0885226 0.1867304 0.0447381 1.1978291 4 Cs 2.0606448 -0.0247231 0.1809872 -0.0460556 1.3002224 -0.0885226 0.1867304 -0.0447381 1.1978291 5 Si 1.2415203 0.0894401 -1.1596518 -0.5562045 2.5234501 -1.1099106 -0.6140822 -0.7235620 3.0141953 6 Si 1.2415203 -0.0894401 -1.1596518 0.5562045 2.5234501 1.1099106 -0.6140822 0.7235620 3.0141953 7 Si 1.2415203 0.0894401 -1.1596518 -0.5562045 2.5234501 -1.1099106 -0.6140822 -0.7235620 3.0141953 8 Si 1.2415203 -0.0894401 -1.1596518 0.5562045 2.5234501 1.1099106 -0.6140822 0.7235620 3.0141953 9 Bi 2.7694667 -0.6007248 -0.9010859 -0.8379502 4.6096723 0.2591715 -1.0266787 0.3473847 5.6917726 10 Bi 2.7694667 0.6007248 -0.9010859 0.8379502 4.6096723 -0.2591715 -1.0266787 -0.3473847 5.6917726 11 Bi 2.7694667 -0.6007248 -0.9010859 -0.8379502 4.6096723 0.2591715 -1.0266787 0.3473847 5.6917726 12 Bi 2.7694667 0.6007248 -0.9010859 0.8379502 4.6096723 -0.2591715 -1.0266787 -0.3473847 5.6917726 13 S -1.4456387 -0.0037160 0.7322686 0.3537005 -2.7493614 0.0217319 0.8866330 0.0236518 -2.2825268 14 S -1.2842661 0.3634560 0.6289582 0.6092668 -2.0565944 -0.1121200 0.4400468 -0.4846835 -2.7365360 15 S -1.4497486 -0.1179673 0.2197860 -0.2347688 -2.5246429 -0.6317747 -0.1181156 -0.4633308 -2.1584027 16 S -1.2842661 -0.3634560 0.6289582 -0.6092668 -2.0565944 0.1121200 0.4400468 0.4846835 -2.7365360 17 S -1.8919784 0.0386522 0.2987376 0.4020962 -1.1027460 0.6255895 0.2454665 0.3541820 -2.7263315 18 S -1.4456387 -0.0037160 0.7322686 0.3537005 -2.7493614 0.0217319 0.8866330 0.0236518 -2.2825268 19 S -1.8919784 -0.0386522 0.2987376 -0.4020962 -1.1027460 -0.6255895 0.2454665 -0.3541820 -2.7263315 20 S -1.2842661 0.3634560 0.6289582 0.6092668 -2.0565944 -0.1121200 0.4400468 -0.4846835 -2.7365360 21 S -1.8919784 -0.0386522 0.2987376 -0.4020962 -1.1027460 -0.6255895 0.2454665 -0.3541820 -2.7263315 22 S -1.4497486 -0.1179673 0.2197860 -0.2347688 -2.5246429 -0.6317747 -0.1181156 -0.4633308 -2.1584027 23 S -1.4497486 0.1179673 0.2197860 0.2347688 -2.5246429 0.6317747 -0.1181156 0.4633308 -2.1584027 24 S -1.8919784 0.0386522 0.2987376 0.4020962 -1.1027460 0.6255895 0.2454665 0.3541820 -2.7263315 25 S -1.4456387 0.0037160 0.7322686 -0.3537005 -2.7493614 -0.0217319 0.8866330 -0.0236518 -2.2825268 26 S -1.4497486 0.1179673 0.2197860 0.2347688 -2.5246429 0.6317747 -0.1181156 0.4633308 -2.1584027 27 S -1.4456387 0.0037160 0.7322686 -0.3537005 -2.7493614 -0.0217319 0.8866330 -0.0236518 -2.2825268 28 S -1.2842661 -0.3634560 0.6289582 -0.6092668 -2.0565944 0.1121200 0.4400468 0.4846835 -2.7365360 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (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 ... [ 6 7 4 ] 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: 0.45, Number of G-points: 295, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 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 1.012 ( 0.000 0.000 0.000) 0.000 1.026 ( 0.000 0.000 0.000) 0.000 1.039 ( 0.000 0.000 0.000) 0.000 1.091 ( 0.000 0.000 0.000) 0.000 1.228 ( 0.000 0.000 0.000) 0.000 1.259 ( 0.000 0.000 0.000) 0.000 1.302 ( 0.000 0.000 0.000) 0.000 1.311 ( 0.000 0.000 0.000) 0.000 1.353 ( 0.000 0.000 0.000) 0.000 1.460 ( 0.000 0.000 0.000) 0.000 1.539 ( 0.000 0.000 0.000) 0.000 1.604 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 1.948 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.309 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 0.000) 0.000 2.542 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 5.125 ( 0.000 0.000 0.000) 0.000 5.220 ( 0.000 0.000 0.000) 0.000 5.381 ( 0.000 0.000 0.000) 0.000 5.484 ( 0.000 0.000 0.000) 0.000 5.505 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.420 ( 0.000 0.000 0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 6.884 ( 0.000 0.000 0.000) 0.000 7.020 ( 0.000 0.000 0.000) 0.000 7.085 ( 0.000 0.000 0.000) 0.000 7.281 ( 0.000 0.000 0.000) 0.000 7.468 ( 0.000 0.000 0.000) 0.000 7.687 ( 0.000 0.000 0.000) 0.000 7.742 ( 0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 8.070 ( 0.000 0.000 0.000) 0.000 8.115 ( 0.000 0.000 0.000) 0.000 8.406 ( 0.000 0.000 0.000) 0.000 11.496 ( 0.000 0.000 0.000) 0.000 11.498 ( 0.000 0.000 0.000) 0.000 11.545 ( 0.000 0.000 0.000) 0.000 11.552 ( 0.000 0.000 0.000) 0.000 14.713 ( 0.000 0.000 0.000) 0.000 14.750 ( 0.000 0.000 0.000) 0.000 14.805 ( 0.000 0.000 0.000) 0.000 14.863 ( 0.000 0.000 0.000) 0.000 15.144 ( 0.000 0.000 0.000) 0.000 15.190 ( 0.000 0.000 0.000) 0.000 15.203 ( 0.000 0.000 0.000) 0.000 15.234 ( 0.000 0.000 0.000) 0.000 16.060 ( 0.000 0.000 0.000) 0.000 16.231 ( 0.000 0.000 0.000) 0.000 16.340 ( 0.000 0.000 0.000) 0.000 16.640 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.256 ( 16.300 0.000 -7.719) 18.035 0.258 ( 12.012 0.000 5.802) 13.340 0.556 ( 26.110 0.000 9.594) 27.816 0.966 ( -5.518 0.000 -4.830) 7.333 1.009 ( -1.617 0.000 -0.651) 1.743 1.023 ( 0.510 0.000 1.087) 1.201 1.047 ( -4.524 0.000 -0.869) 4.607 1.237 ( -5.481 0.000 -2.694) 6.107 1.237 ( -0.548 0.000 3.814) 3.853 1.266 ( 0.828 0.000 0.301) 0.881 1.316 ( 3.267 0.000 -5.317) 6.241 1.345 ( -0.575 0.000 -1.185) 1.317 1.508 ( 3.920 0.000 -0.249) 3.928 1.545 ( -0.244 0.000 1.251) 1.275 1.595 ( -1.147 0.000 2.602) 2.844 1.741 ( -0.063 0.000 -1.919) 1.920 1.771 ( -2.601 0.000 5.201) 5.815 1.813 ( 3.195 0.000 0.839) 3.304 1.843 ( -1.906 0.000 -1.729) 2.573 1.913 ( 0.740 0.000 -0.313) 0.803 2.029 ( -0.626 0.000 0.778) 0.998 2.108 ( 4.597 0.000 1.481) 4.830 2.310 ( 0.279 0.000 -0.539) 0.607 2.345 ( -1.924 0.000 0.712) 2.051 2.450 ( 0.703 0.000 -11.133) 11.155 2.535 ( -0.632 0.000 0.046) 0.634 2.823 ( -2.828 0.000 6.414) 7.010 2.876 ( 1.363 0.000 0.183) 1.375 2.909 ( 0.135 0.000 0.494) 0.512 3.104 ( 0.381 0.000 -5.664) 5.676 3.134 ( -0.007 0.000 -0.125) 0.125 3.316 ( -0.009 0.000 0.911) 0.911 3.471 ( -1.040 0.000 0.343) 1.095 3.690 ( -0.768 0.000 1.314) 1.522 3.708 ( -0.715 0.000 3.013) 3.096 3.908 ( 0.009 0.000 0.199) 0.199 3.991 ( 0.816 0.000 -0.748) 1.107 4.085 ( 0.330 0.000 -1.724) 1.755 4.348 ( -0.496 0.000 0.774) 0.919 4.396 ( 1.136 0.000 -3.443) 3.626 4.474 ( 0.108 0.000 -0.332) 0.349 4.727 ( 2.854 0.000 -12.704) 13.021 4.751 ( 0.052 0.000 3.271) 3.271 4.760 ( -0.107 0.000 -0.310) 0.328 4.984 ( -0.196 0.000 -0.166) 0.257 5.177 ( -4.334 0.000 12.420) 13.154 5.226 ( 0.212 0.000 1.158) 1.177 5.362 ( -1.892 0.000 0.181) 1.900 5.483 ( -0.451 0.000 1.807) 1.862 5.513 ( 1.211 0.000 -2.031) 2.365 5.605 ( -0.065 0.000 -0.089) 0.110 5.902 ( -0.282 0.000 -0.587) 0.651 6.192 ( 0.028 0.000 1.626) 1.627 6.416 ( -0.106 0.000 0.238) 0.261 6.430 ( -0.568 0.000 1.650) 1.745 6.753 ( 0.022 0.000 -0.307) 0.308 6.810 ( 0.027 0.000 0.125) 0.128 6.883 ( -0.123 0.000 -0.104) 0.161 7.007 ( -0.698 0.000 -1.916) 2.039 7.084 ( 0.114 0.000 -0.474) 0.488 7.284 ( 0.247 0.000 0.078) 0.259 7.595 ( 2.099 0.000 -7.160) 7.462 7.644 ( -2.690 0.000 -0.437) 2.726 7.779 ( 1.954 0.000 1.066) 2.226 8.073 ( 0.203 0.000 0.399) 0.448 8.089 ( -2.013 0.000 3.366) 3.922 8.122 ( -1.849 0.000 7.181) 7.415 8.399 ( -0.772 0.000 0.126) 0.783 11.495 ( -0.242 0.000 -0.360) 0.433 11.497 ( 0.077 0.000 0.131) 0.152 11.545 ( -0.181 0.000 0.270) 0.325 11.553 ( -0.065 0.000 0.188) 0.198 14.706 ( -0.570 0.000 -0.433) 0.716 14.755 ( 0.375 0.000 0.250) 0.450 14.862 ( -0.051 0.000 0.016) 0.054 14.944 ( -4.514 0.000 13.713) 14.437 15.142 ( -0.175 0.000 0.112) 0.208 15.189 ( -0.067 0.000 0.084) 0.107 15.203 ( -0.056 0.000 0.211) 0.218 15.233 ( -0.058 0.000 -0.049) 0.076 16.073 ( 0.439 0.000 2.680) 2.715 16.264 ( -5.305 0.000 -2.401) 5.823 16.303 ( 7.725 0.000 -28.844) 29.861 16.738 ( 6.716 0.000 4.713) 8.205 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 12.296 0.000 -5.829) 13.608 0.487 ( 9.452 0.000 4.546) 10.488 0.839 ( -2.651 0.000 -7.596) 8.045 0.939 ( -6.759 0.000 -0.063) 6.759 0.960 ( -1.683 0.000 1.797) 2.462 0.986 ( 8.077 0.000 2.740) 8.529 1.067 ( 8.953 0.000 2.326) 9.250 1.108 ( -6.256 0.000 -3.197) 7.026 1.245 ( -1.187 0.000 4.461) 4.616 1.291 ( 1.365 0.000 0.780) 1.572 1.327 ( -0.324 0.000 -1.436) 1.472 1.346 ( 2.226 0.000 -2.785) 3.565 1.530 ( -0.656 0.000 -1.010) 1.204 1.586 ( 3.939 0.000 -0.127) 3.941 1.607 ( 0.824 0.000 2.734) 2.855 1.700 ( -4.878 0.000 2.818) 5.634 1.712 ( -1.474 0.000 -2.554) 2.949 1.836 ( -0.730 0.000 0.372) 0.820 1.881 ( 2.973 0.000 0.870) 3.098 1.961 ( 3.315 0.000 0.638) 3.376 2.019 ( -1.280 0.000 1.523) 1.989 2.178 ( 2.174 0.000 1.102) 2.438 2.291 ( -4.096 0.000 -0.412) 4.117 2.312 ( 0.375 0.000 -0.687) 0.782 2.394 ( -0.939 0.000 -4.946) 5.034 2.527 ( -0.323 0.000 0.343) 0.471 2.811 ( -1.136 0.000 1.895) 2.210 2.901 ( 1.097 0.000 -0.024) 1.098 2.913 ( 0.083 0.000 0.260) 0.273 3.076 ( -0.758 0.000 -1.970) 2.110 3.132 ( -0.047 0.000 -0.174) 0.180 3.321 ( 0.049 0.000 0.843) 0.845 3.450 ( -1.308 0.000 0.463) 1.387 3.689 ( 0.271 0.000 -0.207) 0.341 3.707 ( -0.916 0.000 1.791) 2.012 3.911 ( 0.164 0.000 0.158) 0.228 4.003 ( 0.890 0.000 -0.735) 1.154 4.080 ( 0.272 0.000 -1.713) 1.734 4.342 ( -0.547 0.000 0.611) 0.820 4.396 ( 0.421 0.000 -1.298) 1.364 4.474 ( 0.100 0.000 -0.221) 0.243 4.699 ( 0.033 0.000 -4.659) 4.659 4.755 ( -0.223 0.000 -0.414) 0.471 4.774 ( 0.250 0.000 2.679) 2.691 4.981 ( -0.077 0.000 -0.019) 0.079 5.171 ( -1.569 0.000 3.904) 4.208 5.237 ( 0.074 0.000 1.576) 1.578 5.328 ( -1.614 0.000 -0.222) 1.630 5.491 ( 0.019 0.000 2.049) 2.049 5.518 ( 0.653 0.000 -2.137) 2.234 5.603 ( -0.057 0.000 -0.095) 0.111 5.893 ( -0.276 0.000 -0.611) 0.671 6.204 ( 0.164 0.000 1.724) 1.731 6.414 ( -0.233 0.000 0.133) 0.269 6.429 ( -0.196 0.000 0.494) 0.531 6.751 ( 0.012 0.000 -0.302) 0.302 6.812 ( 0.029 0.000 0.132) 0.135 6.880 ( -0.106 0.000 -0.100) 0.145 6.980 ( -0.744 0.000 -1.965) 2.101 7.084 ( -0.026 0.000 -0.049) 0.056 7.290 ( 0.288 0.000 0.097) 0.304 7.591 ( 0.647 0.000 -2.760) 2.835 7.607 ( -1.160 0.000 -0.352) 1.212 7.808 ( 0.629 0.000 0.930) 1.123 8.073 ( -0.663 0.000 -0.134) 0.677 8.079 ( 0.108 0.000 0.505) 0.517 8.129 ( -1.094 0.000 4.118) 4.260 8.384 ( -0.768 0.000 0.110) 0.776 11.488 ( -0.195 0.000 -0.306) 0.363 11.500 ( 0.078 0.000 0.126) 0.148 11.542 ( -0.225 0.000 0.205) 0.305 11.553 ( -0.010 0.000 -0.000) 0.010 14.691 ( -0.607 0.000 -0.438) 0.749 14.764 ( 0.386 0.000 0.249) 0.459 14.862 ( -0.040 0.000 0.010) 0.041 14.943 ( -1.596 0.000 4.681) 4.946 15.139 ( -0.172 0.000 0.114) 0.207 15.188 ( -0.064 0.000 0.079) 0.101 15.203 ( 0.002 0.000 0.026) 0.026 15.232 ( -0.066 0.000 -0.056) 0.087 16.103 ( 0.492 0.000 4.273) 4.302 16.171 ( -3.353 0.000 -1.298) 3.596 16.266 ( 2.215 0.000 -13.633) 13.812 16.874 ( 4.763 0.000 3.593) 5.967 ======================= Grid point 3 (4/56) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 0.000 0.000 -0.000) 0.000 0.604 ( 0.000 0.000 0.000) 0.000 0.816 ( 0.000 0.000 0.000) 0.000 0.841 ( 0.000 0.000 0.000) 0.000 0.928 ( 0.000 0.000 0.000) 0.000 1.018 ( 0.000 0.000 -0.000) 0.000 1.025 ( 0.000 0.000 -0.000) 0.000 1.234 ( -0.000 0.000 -0.000) 0.000 1.237 ( 0.000 0.000 0.000) 0.000 1.306 ( 0.000 0.000 0.000) 0.000 1.331 ( 0.000 0.000 -0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 1.518 ( 0.000 0.000 -0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.645 ( -0.000 0.000 -0.000) 0.000 1.651 ( -0.000 0.000 0.000) 0.000 1.670 ( 0.000 0.000 0.000) 0.000 1.826 ( 0.000 0.000 -0.000) 0.000 1.912 ( 0.000 0.000 -0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 2.200 ( 0.000 0.000 -0.000) 0.000 2.238 ( 0.000 0.000 -0.000) 0.000 2.314 ( 0.000 0.000 -0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.806 ( 0.000 0.000 -0.000) 0.000 2.911 ( 0.000 0.000 -0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.131 ( 0.000 0.000 0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.694 ( -0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 -0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 -0.000) 0.000 4.396 ( 0.000 0.000 -0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 -0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 4.784 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.168 ( 0.000 0.000 -0.000) 0.000 5.244 ( 0.000 0.000 -0.000) 0.000 5.311 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 -0.000) 0.000 5.516 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 5.888 ( 0.000 0.000 0.000) 0.000 6.212 ( 0.000 0.000 0.000) 0.000 6.412 ( 0.000 0.000 0.000) 0.000 6.429 ( 0.000 0.000 -0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 6.812 ( 0.000 0.000 -0.000) 0.000 6.878 ( 0.000 0.000 -0.000) 0.000 6.966 ( 0.000 0.000 0.000) 0.000 7.083 ( 0.000 0.000 -0.000) 0.000 7.293 ( 0.000 0.000 0.000) 0.000 7.588 ( 0.000 0.000 0.000) 0.000 7.596 ( 0.000 0.000 0.000) 0.000 7.815 ( 0.000 0.000 0.000) 0.000 8.066 ( 0.000 0.000 0.000) 0.000 8.082 ( 0.000 0.000 0.000) 0.000 8.131 ( 0.000 0.000 0.000) 0.000 8.377 ( 0.000 0.000 0.000) 0.000 11.485 ( 0.000 0.000 -0.000) 0.000 11.501 ( 0.000 0.000 0.000) 0.000 11.540 ( 0.000 0.000 0.000) 0.000 11.552 ( 0.000 0.000 0.000) 0.000 14.684 ( 0.000 0.000 0.000) 0.000 14.768 ( 0.000 0.000 0.000) 0.000 14.861 ( 0.000 0.000 0.000) 0.000 14.942 ( 0.000 0.000 -0.000) 0.000 15.138 ( 0.000 0.000 0.000) 0.000 15.188 ( 0.000 0.000 0.000) 0.000 15.203 ( 0.000 0.000 -0.000) 0.000 15.231 ( 0.000 0.000 0.000) 0.000 16.125 ( 0.000 0.000 0.000) 0.000 16.136 ( 0.000 0.000 -0.000) 0.000 16.241 ( 0.000 0.000 -0.000) 0.000 16.930 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/56) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.292 ( 0.000 15.291 0.000) 15.291 0.363 ( 0.000 16.645 0.000) 16.645 0.643 ( 0.000 27.501 0.000) 27.501 0.970 ( 0.000 -1.926 0.000) 1.926 1.005 ( 0.000 -1.405 0.000) 1.405 1.104 ( 0.000 2.615 0.000) 2.615 1.120 ( 0.000 2.144 0.000) 2.144 1.243 ( 0.000 1.763 0.000) 1.763 1.293 ( 0.000 -0.660 0.000) 0.660 1.296 ( 0.000 3.195 0.000) 3.195 1.351 ( 0.000 1.994 0.000) 1.994 1.420 ( 0.000 4.475 0.000) 4.475 1.480 ( 0.000 1.799 0.000) 1.799 1.559 ( 0.000 0.500 0.000) 0.500 1.623 ( 0.000 2.664 0.000) 2.664 1.742 ( 0.000 -0.861 0.000) 0.861 1.769 ( 0.000 -1.655 0.000) 1.655 1.817 ( 0.000 1.716 0.000) 1.716 1.910 ( 0.000 1.761 0.000) 1.761 1.951 ( 0.000 -1.832 0.000) 1.832 2.011 ( 0.000 -1.086 0.000) 1.086 2.101 ( 0.000 4.604 0.000) 4.604 2.205 ( 0.000 -1.937 0.000) 1.937 2.330 ( 0.000 1.256 0.000) 1.256 2.548 ( 0.000 14.736 0.000) 14.736 2.829 ( 0.000 0.431 0.000) 0.431 2.897 ( 0.000 3.294 0.000) 3.294 2.914 ( 0.000 1.006 0.000) 1.006 3.046 ( 0.000 5.203 0.000) 5.203 3.076 ( 0.000 0.442 0.000) 0.442 3.297 ( 0.000 -1.391 0.000) 1.391 3.384 ( 0.000 -2.032 0.000) 2.032 3.601 ( 0.000 -5.014 0.000) 5.014 3.667 ( 0.000 -2.340 0.000) 2.340 3.761 ( 0.000 -0.384 0.000) 0.384 3.913 ( 0.000 0.366 0.000) 0.366 3.951 ( 0.000 -1.937 0.000) 1.937 4.262 ( 0.000 -2.014 0.000) 2.014 4.305 ( 0.000 -4.117 0.000) 4.117 4.319 ( 0.000 -0.436 0.000) 0.436 4.401 ( 0.000 0.831 0.000) 0.831 4.657 ( 0.000 0.049 0.000) 0.049 4.740 ( 0.000 -0.873 0.000) 0.873 4.744 ( 0.000 0.433 0.000) 0.433 5.018 ( 0.000 3.112 0.000) 3.112 5.141 ( 0.000 0.407 0.000) 0.407 5.242 ( 0.000 2.203 0.000) 2.203 5.454 ( 0.000 -0.528 0.000) 0.528 5.482 ( 0.000 -1.672 0.000) 1.672 5.516 ( 0.000 2.788 0.000) 2.788 5.675 ( 0.000 4.888 0.000) 4.888 5.851 ( 0.000 -3.843 0.000) 3.843 6.207 ( 0.000 1.925 0.000) 1.925 6.505 ( 0.000 6.493 0.000) 6.493 6.673 ( 0.000 -0.531 0.000) 0.531 6.717 ( 0.000 -2.124 0.000) 2.124 6.798 ( 0.000 -0.148 0.000) 0.148 6.884 ( 0.000 0.077 0.000) 0.077 7.048 ( 0.000 2.053 0.000) 2.053 7.083 ( 0.000 -0.138 0.000) 0.138 7.273 ( 0.000 -0.716 0.000) 0.716 7.441 ( 0.000 -2.453 0.000) 2.453 7.735 ( 0.000 -0.744 0.000) 0.744 7.791 ( 0.000 -1.367 0.000) 1.367 7.933 ( 0.000 -1.917 0.000) 1.917 8.093 ( 0.000 -1.993 0.000) 1.993 8.125 ( 0.000 -1.114 0.000) 1.114 8.380 ( 0.000 -2.432 0.000) 2.432 11.480 ( 0.000 -1.384 0.000) 1.384 11.483 ( 0.000 -1.328 0.000) 1.328 11.536 ( 0.000 -0.945 0.000) 0.945 11.538 ( 0.000 -1.302 0.000) 1.302 14.712 ( 0.000 0.081 0.000) 0.081 14.760 ( 0.000 0.771 0.000) 0.771 14.798 ( 0.000 -0.520 0.000) 0.520 14.854 ( 0.000 -0.806 0.000) 0.806 15.239 ( 0.000 4.234 0.000) 4.234 15.244 ( 0.000 3.733 0.000) 3.733 15.300 ( 0.000 5.631 0.000) 5.631 15.782 ( 0.000 -0.345 0.000) 0.345 16.041 ( 0.000 -1.682 0.000) 1.682 16.197 ( 0.000 -3.075 0.000) 3.075 16.314 ( 0.000 -2.116 0.000) 2.116 16.594 ( 0.000 -4.528 0.000) 4.528 ======================= Grid point 8 (6/56) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 9.478 13.419 -4.538) 17.044 0.492 ( 11.227 9.783 6.663) 16.314 0.758 ( 11.427 19.396 4.211) 22.902 0.931 ( -2.455 -1.288 -5.324) 6.003 0.991 ( -2.133 -0.909 1.255) 2.637 1.082 ( -3.354 2.999 1.398) 4.712 1.101 ( -0.937 3.636 -0.824) 3.844 1.251 ( -0.117 1.129 -0.119) 1.141 1.261 ( -1.759 1.926 -0.926) 2.768 1.287 ( -1.858 1.908 3.017) 4.024 1.340 ( 1.755 2.085 -5.897) 6.496 1.403 ( -0.679 4.655 -2.177) 5.184 1.510 ( 2.227 0.122 -0.134) 2.235 1.571 ( -0.232 0.768 3.683) 3.769 1.618 ( 0.058 1.194 -0.114) 1.201 1.727 ( -1.270 -0.203 -1.740) 2.164 1.810 ( 2.057 -0.631 2.721) 3.469 1.826 ( 1.344 0.967 0.552) 1.746 1.853 ( -4.412 2.166 -0.706) 4.966 1.935 ( 1.332 0.686 -2.243) 2.698 2.026 ( -0.785 -0.010 2.370) 2.497 2.128 ( 2.472 1.814 -0.991) 3.222 2.225 ( 1.396 -2.735 0.047) 3.071 2.331 ( -0.043 1.132 0.463) 1.224 2.531 ( -1.825 14.546 0.274) 14.662 2.820 ( -0.115 0.637 -2.390) 2.476 2.898 ( -1.413 2.955 3.837) 5.045 2.914 ( -0.039 0.970 0.082) 0.974 2.987 ( -3.153 8.065 -3.103) 9.199 3.104 ( 1.487 1.030 -0.151) 1.815 3.300 ( -0.884 -1.283 2.177) 2.677 3.322 ( -4.114 2.771 -5.255) 7.227 3.549 ( -3.136 1.199 -3.807) 5.076 3.669 ( -1.594 -2.313 4.854) 5.609 3.715 ( -1.914 3.276 -1.919) 4.251 3.896 ( -3.698 -2.603 3.164) 5.519 3.917 ( 0.679 0.001 -1.306) 1.472 4.192 ( -1.701 3.144 -0.940) 3.697 4.301 ( -0.390 -3.298 -0.266) 3.331 4.396 ( 0.482 -3.613 2.074) 4.194 4.420 ( 4.638 -0.826 -5.002) 6.871 4.626 ( -1.463 -2.697 -1.851) 3.583 4.751 ( 0.512 -1.055 -1.404) 1.829 4.756 ( 0.767 0.421 1.907) 2.098 5.013 ( -0.392 3.011 -0.283) 3.049 5.167 ( -0.030 -0.414 5.480) 5.496 5.246 ( 0.204 2.191 0.522) 2.261 5.417 ( -3.274 0.885 -0.886) 3.506 5.480 ( -0.031 -0.779 0.891) 1.184 5.528 ( 1.424 2.614 -1.444) 3.309 5.674 ( -0.021 4.917 -0.260) 4.924 5.854 ( 0.316 -3.441 -0.178) 3.460 6.207 ( -0.328 1.591 0.656) 1.752 6.505 ( -0.032 6.411 0.066) 6.412 6.586 ( -6.259 6.324 0.139) 8.899 6.712 ( -0.107 -3.160 -0.717) 3.242 6.793 ( -0.162 -0.448 -0.157) 0.501 6.884 ( 0.023 0.189 -0.090) 0.211 7.042 ( -0.117 2.492 -1.529) 2.926 7.082 ( -0.443 -0.166 1.066) 1.166 7.270 ( 0.342 -0.946 -1.139) 1.519 7.480 ( 2.439 -5.126 0.629) 5.711 7.661 ( -3.531 0.280 -1.632) 3.900 7.828 ( 1.053 0.402 -0.092) 1.131 7.959 ( 0.669 -4.825 4.375) 6.547 8.087 ( -0.227 -1.584 -2.475) 2.947 8.104 ( -1.293 -1.366 1.432) 2.364 8.388 ( -0.212 -2.056 1.172) 2.376 11.479 ( -0.233 -1.347 -0.253) 1.390 11.480 ( 0.004 -1.436 -0.147) 1.444 11.536 ( -0.119 -0.895 0.354) 0.970 11.539 ( 0.041 -1.226 0.194) 1.242 14.707 ( -0.418 0.234 -0.417) 0.635 14.763 ( 0.179 0.737 0.514) 0.916 14.825 ( 1.756 -2.268 1.818) 3.396 14.854 ( -0.017 -0.857 -0.028) 0.857 15.234 ( -0.343 4.080 -0.443) 4.119 15.246 ( 0.122 3.946 0.415) 3.970 15.298 ( -0.244 6.062 0.157) 6.069 15.571 ( -15.186 12.767 2.785) 20.035 16.050 ( 0.356 -1.969 2.399) 3.125 16.201 ( 0.192 -4.749 -8.514) 9.750 16.274 ( 0.349 -1.688 -7.872) 8.059 16.677 ( 5.851 -5.571 3.918) 8.978 ======================= Grid point 9 (7/56) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 10.065 9.767 -5.011) 14.893 0.691 ( 7.927 11.329 4.827) 14.646 0.846 ( -1.270 1.237 -5.599) 5.873 0.932 ( -4.520 0.494 0.418) 4.566 0.982 ( 4.552 3.496 1.225) 5.869 1.007 ( -5.133 3.030 1.895) 6.255 1.095 ( -0.508 3.900 -0.637) 3.984 1.213 ( 2.035 4.518 -1.424) 5.156 1.269 ( -0.894 2.492 4.159) 4.930 1.292 ( 1.066 0.605 2.376) 2.674 1.342 ( 1.909 1.899 -7.142) 7.632 1.389 ( -0.059 3.935 1.467) 4.200 1.522 ( -0.593 -1.158 -0.466) 1.382 1.595 ( 1.008 0.543 0.198) 1.161 1.637 ( 2.244 0.898 0.686) 2.512 1.696 ( -0.531 1.815 -0.058) 1.892 1.779 ( -3.377 4.171 -0.126) 5.368 1.830 ( -1.276 -0.302 1.646) 2.104 1.877 ( 2.860 -0.383 0.257) 2.897 1.967 ( 2.581 -0.903 -1.490) 3.114 2.022 ( -0.815 1.429 2.534) 3.021 2.143 ( -0.101 -2.393 -2.102) 3.187 2.243 ( 0.576 0.001 0.383) 0.691 2.332 ( -0.129 1.030 0.392) 1.110 2.497 ( -1.635 13.996 0.072) 14.092 2.805 ( 0.617 0.726 -3.642) 3.765 2.875 ( -4.270 7.024 6.574) 10.525 2.918 ( 0.371 1.867 0.178) 1.912 2.939 ( 0.538 7.231 -4.733) 8.659 3.123 ( 0.902 1.348 -0.123) 1.627 3.210 ( -3.993 5.991 -1.605) 7.377 3.314 ( 0.705 -0.240 -0.115) 0.754 3.488 ( -2.335 2.517 -0.267) 3.444 3.667 ( -1.041 -1.910 3.050) 3.746 3.693 ( -0.133 0.673 -1.227) 1.406 3.873 ( -0.764 -4.793 1.694) 5.141 3.917 ( 0.278 -0.439 -1.740) 1.816 4.175 ( -0.066 2.543 -0.961) 2.719 4.290 ( -0.491 -3.328 -0.373) 3.384 4.405 ( -0.126 -0.993 1.358) 1.687 4.460 ( 2.485 -0.386 -3.441) 4.262 4.596 ( -1.285 -5.740 -0.206) 5.886 4.742 ( -0.238 -1.028 -1.266) 1.648 4.785 ( 0.751 0.454 2.108) 2.284 5.004 ( -0.317 2.734 -0.231) 2.762 5.187 ( -0.564 0.004 3.494) 3.540 5.253 ( 0.171 2.136 0.541) 2.210 5.355 ( -2.559 1.298 -0.860) 2.995 5.491 ( 0.381 -0.434 1.114) 1.255 5.541 ( 0.819 2.956 -1.311) 3.336 5.672 ( -0.004 4.992 -0.265) 4.999 5.858 ( 0.262 -2.709 -0.145) 2.725 6.204 ( -0.340 0.895 0.567) 1.113 6.498 ( -1.084 6.129 -0.514) 6.246 6.517 ( -1.503 6.213 1.156) 6.496 6.706 ( -0.074 -3.462 -0.697) 3.532 6.791 ( -0.027 -0.659 -0.053) 0.661 6.884 ( 0.013 0.385 -0.104) 0.399 7.030 ( -0.195 3.288 -1.435) 3.593 7.080 ( -0.339 -0.228 0.823) 0.919 7.273 ( 0.421 -1.306 -0.543) 1.475 7.512 ( 1.013 -5.311 -0.176) 5.410 7.614 ( -1.119 0.480 -0.654) 1.382 7.830 ( -0.389 0.340 0.070) 0.521 7.990 ( 0.213 -5.205 3.530) 6.293 8.064 ( -0.398 -1.570 -2.134) 2.679 8.103 ( -0.112 -2.131 1.103) 2.402 8.382 ( -0.804 -1.181 0.673) 1.579 11.472 ( -0.209 -1.352 -0.329) 1.407 11.480 ( 0.016 -1.560 0.011) 1.560 11.535 ( -0.148 -0.783 0.280) 0.844 11.541 ( 0.035 -1.091 0.094) 1.095 14.695 ( -0.479 0.455 -0.443) 0.795 14.771 ( 0.272 0.704 0.425) 0.866 14.850 ( -0.004 -1.205 0.171) 1.217 14.866 ( 1.072 -3.109 1.236) 3.514 15.223 ( -0.548 4.130 -0.506) 4.197 15.253 ( 0.228 4.510 0.624) 4.558 15.294 ( -0.243 7.668 0.072) 7.673 15.393 ( -6.004 11.696 0.806) 13.171 16.077 ( 0.378 -2.319 3.940) 4.587 16.136 ( -2.123 -3.016 -3.292) 4.944 16.242 ( 1.010 -1.759 -8.277) 8.522 16.796 ( 4.233 -7.048 3.035) 8.764 ======================= Grid point 10 (8/56) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 8.633 -0.000) 8.633 0.804 ( 0.000 8.493 0.000) 8.493 0.838 ( 0.000 7.236 0.000) 7.236 0.869 ( -0.000 2.900 0.000) 2.900 0.954 ( 0.000 2.673 -0.000) 2.673 0.960 ( 0.000 -3.066 0.000) 3.066 1.083 ( 0.000 4.488 0.000) 4.488 1.241 ( 0.000 0.228 0.000) 0.228 1.294 ( 0.000 3.657 -0.000) 3.657 1.311 ( 0.000 0.808 0.000) 0.808 1.346 ( 0.000 1.653 -0.000) 1.653 1.399 ( 0.000 3.997 0.000) 3.997 1.510 ( 0.000 -0.618 0.000) 0.618 1.606 ( -0.000 -1.507 -0.000) 1.507 1.673 ( -0.000 1.892 0.000) 1.892 1.712 ( -0.000 2.499 0.000) 2.499 1.727 ( 0.000 5.832 0.000) 5.832 1.815 ( 0.000 -1.139 -0.000) 1.139 1.907 ( 0.000 -0.198 -0.000) 0.198 1.984 ( -0.000 -2.273 0.000) 2.273 2.027 ( 0.000 2.338 -0.000) 2.338 2.125 ( 0.000 -3.466 0.000) 3.466 2.250 ( 0.000 1.696 -0.000) 1.696 2.332 ( 0.000 1.002 -0.000) 1.002 2.482 ( 0.000 13.473 0.000) 13.473 2.801 ( 0.000 -0.075 0.000) 0.075 2.851 ( 0.000 10.563 0.000) 10.563 2.924 ( 0.000 1.982 -0.000) 1.982 2.931 ( 0.000 5.480 0.000) 5.480 3.135 ( -0.000 1.154 0.000) 1.154 3.166 ( 0.000 6.139 0.000) 6.139 3.321 ( 0.000 0.230 0.000) 0.230 3.464 ( 0.000 1.833 -0.000) 1.833 3.667 ( 0.000 -2.108 -0.000) 2.108 3.688 ( 0.000 0.201 0.000) 0.201 3.875 ( 0.000 -5.635 0.000) 5.635 3.912 ( 0.000 -0.261 0.000) 0.261 4.172 ( 0.000 2.202 0.000) 2.202 4.284 ( 0.000 -3.359 -0.000) 3.359 4.408 ( 0.000 -0.661 -0.000) 0.661 4.472 ( 0.000 0.948 -0.000) 0.948 4.582 ( 0.000 -6.934 -0.000) 6.934 4.736 ( 0.000 -1.031 0.000) 1.031 4.799 ( 0.000 0.568 0.000) 0.568 5.001 ( 0.000 2.549 0.000) 2.549 5.192 ( 0.000 0.367 -0.000) 0.367 5.256 ( 0.000 2.027 0.000) 2.027 5.328 ( 0.000 1.059 0.000) 1.059 5.499 ( 0.000 -0.496 -0.000) 0.496 5.544 ( 0.000 3.299 0.000) 3.299 5.671 ( 0.000 5.036 -0.000) 5.036 5.860 ( 0.000 -2.353 0.000) 2.353 6.202 ( 0.000 0.453 0.000) 0.453 6.482 ( 0.000 5.384 0.000) 5.384 6.512 ( 0.000 6.140 -0.000) 6.140 6.703 ( 0.000 -3.528 0.000) 3.528 6.790 ( 0.000 -0.691 0.000) 0.691 6.884 ( 0.000 0.469 0.000) 0.469 7.023 ( 0.000 3.665 0.000) 3.665 7.080 ( 0.000 -0.249 -0.000) 0.249 7.275 ( -0.000 -1.401 0.000) 1.401 7.520 ( 0.000 -4.988 -0.000) 4.988 7.604 ( 0.000 0.526 0.000) 0.526 7.825 ( 0.000 -0.190 0.000) 0.190 8.004 ( 0.000 -4.594 0.000) 4.594 8.053 ( 0.000 -2.068 -0.000) 2.068 8.106 ( 0.000 -2.166 0.000) 2.166 8.375 ( 0.000 -0.927 -0.000) 0.927 11.469 ( 0.000 -1.363 0.000) 1.363 11.480 ( 0.000 -1.612 0.000) 1.612 11.535 ( 0.000 -0.719 0.000) 0.719 11.541 ( 0.000 -1.039 0.000) 1.039 14.689 ( 0.000 0.551 0.000) 0.551 14.775 ( 0.000 0.700 0.000) 0.700 14.850 ( 0.000 -1.070 0.000) 1.070 14.880 ( 0.000 -3.388 -0.000) 3.388 15.215 ( 0.000 4.460 -0.000) 4.460 15.258 ( 0.000 4.772 0.000) 4.772 15.291 ( 0.000 9.936 -0.000) 9.936 15.345 ( 0.000 7.674 0.000) 7.674 16.097 ( -0.000 -2.496 0.000) 2.496 16.104 ( 0.000 -2.706 -0.000) 2.706 16.223 ( 0.000 -1.363 -0.000) 1.363 16.845 ( 0.000 -7.643 0.000) 7.643 ======================= Grid point 14 (9/56) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 0.000 16.693 0.000) 16.693 0.685 ( 0.000 13.393 0.000) 13.393 0.928 ( 0.000 -1.280 0.000) 1.280 0.979 ( 0.000 -0.757 0.000) 0.757 1.093 ( 0.000 11.595 0.000) 11.595 1.121 ( 0.000 1.183 0.000) 1.183 1.173 ( 0.000 2.933 0.000) 2.933 1.293 ( 0.000 1.684 0.000) 1.684 1.294 ( 0.000 0.965 0.000) 0.965 1.370 ( 0.000 3.764 0.000) 3.764 1.422 ( 0.000 3.620 0.000) 3.620 1.499 ( 0.000 2.335 0.000) 2.335 1.514 ( 0.000 -0.727 0.000) 0.727 1.537 ( 0.000 -2.133 0.000) 2.133 1.667 ( 0.000 -1.774 0.000) 1.774 1.704 ( 0.000 3.906 0.000) 3.906 1.782 ( 0.000 1.761 0.000) 1.761 1.869 ( 0.000 3.064 0.000) 3.064 1.934 ( 0.000 0.297 0.000) 0.297 1.940 ( 0.000 0.685 0.000) 0.685 1.990 ( 0.000 -0.973 0.000) 0.973 2.151 ( 0.000 -3.183 0.000) 3.183 2.196 ( 0.000 3.880 0.000) 3.880 2.339 ( 0.000 -0.495 0.000) 0.495 2.801 ( 0.000 6.948 0.000) 6.948 2.843 ( 0.000 0.889 0.000) 0.889 2.943 ( 0.000 0.770 0.000) 0.770 2.975 ( 0.000 2.996 0.000) 2.996 3.108 ( 0.000 2.852 0.000) 2.852 3.130 ( 0.000 2.085 0.000) 2.085 3.266 ( 0.000 -1.303 0.000) 1.303 3.321 ( 0.000 -3.396 0.000) 3.396 3.563 ( 0.000 1.624 0.000) 1.624 3.624 ( 0.000 -1.436 0.000) 1.436 3.757 ( 0.000 1.008 0.000) 1.008 3.916 ( 0.000 -0.349 0.000) 0.349 3.936 ( 0.000 1.090 0.000) 1.090 4.145 ( 0.000 -8.432 0.000) 8.432 4.180 ( 0.000 -4.840 0.000) 4.840 4.301 ( 0.000 -2.599 0.000) 2.599 4.478 ( 0.000 5.787 0.000) 5.787 4.677 ( 0.000 1.551 0.000) 1.551 4.743 ( 0.000 -0.223 0.000) 0.223 4.763 ( 0.000 2.814 0.000) 2.814 5.107 ( 0.000 4.650 0.000) 4.650 5.141 ( 0.000 0.241 0.000) 0.241 5.284 ( 0.000 1.118 0.000) 1.118 5.412 ( 0.000 -3.428 0.000) 3.428 5.479 ( 0.000 1.257 0.000) 1.257 5.573 ( 0.000 1.648 0.000) 1.648 5.777 ( 0.000 4.276 0.000) 4.276 5.801 ( 0.000 -0.230 0.000) 0.230 6.263 ( 0.000 3.347 0.000) 3.347 6.574 ( 0.000 -6.177 0.000) 6.177 6.636 ( 0.000 5.152 0.000) 5.152 6.725 ( 0.000 0.568 0.000) 0.568 6.821 ( 0.000 2.216 0.000) 2.216 6.890 ( 0.000 0.461 0.000) 0.461 7.083 ( 0.000 0.289 0.000) 0.289 7.097 ( 0.000 2.285 0.000) 2.285 7.255 ( 0.000 -0.799 0.000) 0.799 7.376 ( 0.000 -3.385 0.000) 3.385 7.704 ( 0.000 -2.204 0.000) 2.204 7.743 ( 0.000 -3.170 0.000) 3.170 7.902 ( 0.000 -0.397 0.000) 0.397 8.038 ( 0.000 -2.985 0.000) 2.985 8.111 ( 0.000 0.134 0.000) 0.134 8.307 ( 0.000 -4.272 0.000) 4.272 11.448 ( 0.000 -1.416 0.000) 1.416 11.451 ( 0.000 -1.441 0.000) 1.441 11.503 ( 0.000 -1.812 0.000) 1.812 11.507 ( 0.000 -1.657 0.000) 1.657 14.724 ( 0.000 1.038 0.000) 1.038 14.777 ( 0.000 0.768 0.000) 0.768 14.789 ( 0.000 -0.318 0.000) 0.318 14.831 ( 0.000 -1.277 0.000) 1.277 15.339 ( 0.000 4.666 0.000) 4.666 15.341 ( 0.000 4.782 0.000) 4.782 15.443 ( 0.000 7.335 0.000) 7.335 15.761 ( 0.000 -1.891 0.000) 1.891 16.003 ( 0.000 -1.458 0.000) 1.458 16.113 ( 0.000 -4.426 0.000) 4.426 16.272 ( 0.000 -1.341 0.000) 1.341 16.473 ( 0.000 -6.421 0.000) 6.421 ======================= Grid point 15 (10/56) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 6.467 13.027 0.122) 14.544 0.725 ( 5.441 11.625 -0.199) 12.837 0.913 ( -0.459 0.508 -2.198) 2.302 0.975 ( -0.902 -0.554 0.853) 1.360 1.111 ( 0.172 7.839 1.511) 7.985 1.132 ( 0.869 0.593 0.306) 1.095 1.162 ( -1.070 5.840 1.822) 6.210 1.273 ( 0.492 0.734 -5.183) 5.258 1.305 ( -1.362 1.778 5.034) 5.509 1.356 ( -1.863 4.350 2.779) 5.487 1.423 ( 0.912 4.769 -1.894) 5.212 1.495 ( 0.156 0.363 -3.776) 3.797 1.503 ( -0.699 0.655 0.763) 1.225 1.578 ( 2.334 -2.273 1.430) 3.558 1.602 ( -2.086 1.192 -0.545) 2.463 1.743 ( 0.239 2.043 -2.375) 3.142 1.787 ( 2.037 -1.071 -0.032) 2.302 1.864 ( -0.454 2.431 1.256) 2.774 1.909 ( -1.623 2.761 -1.037) 3.367 1.944 ( 0.995 0.413 -1.501) 1.847 2.017 ( 1.007 -0.963 2.153) 2.564 2.143 ( -0.299 -1.433 -1.402) 2.027 2.223 ( 1.883 2.056 1.942) 3.398 2.338 ( -0.101 -0.567 -0.009) 0.576 2.786 ( -1.280 7.182 -0.787) 7.338 2.838 ( -0.652 1.013 0.137) 1.212 2.934 ( -1.361 0.902 0.951) 1.889 2.975 ( -0.074 2.732 0.261) 2.746 3.085 ( -0.898 3.303 -1.592) 3.775 3.150 ( 1.417 1.920 -0.162) 2.392 3.264 ( -0.667 -1.683 -0.005) 1.810 3.315 ( 0.448 -1.698 -1.592) 2.371 3.551 ( -1.357 1.631 0.238) 2.135 3.624 ( -0.338 -1.543 1.129) 1.941 3.753 ( -0.128 1.491 -1.023) 1.812 3.903 ( -3.858 2.020 3.575) 5.635 3.915 ( 0.525 0.012 -2.664) 2.715 4.147 ( -0.518 -5.593 1.165) 5.737 4.192 ( 1.499 -6.873 -1.157) 7.129 4.301 ( 0.186 -3.277 -0.112) 3.284 4.489 ( 1.322 5.334 -0.747) 5.546 4.640 ( -3.036 2.562 -0.751) 4.043 4.753 ( 0.875 -0.043 0.059) 0.878 4.762 ( -0.252 1.875 0.268) 1.911 5.102 ( -0.451 4.671 -0.305) 4.703 5.154 ( 0.446 -0.240 2.048) 2.110 5.289 ( 0.420 1.029 0.062) 1.113 5.394 ( -1.747 -2.703 -0.511) 3.259 5.485 ( 0.474 1.287 0.617) 1.504 5.580 ( 0.713 1.426 -0.148) 1.601 5.777 ( 0.113 4.366 -0.159) 4.370 5.807 ( 0.740 -0.300 -0.545) 0.967 6.260 ( -0.353 3.392 0.016) 3.410 6.563 ( -1.003 -5.330 -0.395) 5.438 6.635 ( -0.096 5.130 0.028) 5.131 6.716 ( -0.907 1.380 -0.151) 1.659 6.812 ( -0.730 2.362 -0.140) 2.477 6.891 ( 0.090 0.417 0.040) 0.428 7.082 ( -0.549 0.294 1.360) 1.496 7.095 ( 0.043 2.227 -0.915) 2.408 7.253 ( 0.144 -0.506 -0.928) 1.067 7.388 ( 0.748 -3.913 1.175) 4.153 7.656 ( -2.448 -0.747 -1.489) 2.961 7.776 ( 1.106 -4.263 1.371) 4.613 7.905 ( 0.139 -0.612 0.666) 0.916 8.033 ( -0.337 -3.127 -0.513) 3.187 8.092 ( -1.256 0.520 -0.899) 1.630 8.316 ( 0.190 -4.448 1.302) 4.639 11.447 ( -0.061 -1.449 -0.249) 1.471 11.448 ( -0.192 -1.342 -0.152) 1.365 11.505 ( 0.053 -1.817 0.307) 1.844 11.508 ( 0.047 -1.649 0.224) 1.664 14.721 ( -0.172 1.153 -0.399) 1.232 14.781 ( 0.174 0.786 0.685) 1.057 14.801 ( 1.086 -0.530 0.148) 1.218 14.830 ( -0.113 -1.335 -0.176) 1.351 15.335 ( -0.456 4.796 -0.446) 4.838 15.345 ( 0.474 4.684 0.356) 4.721 15.445 ( 0.081 7.277 0.566) 7.299 15.698 ( -6.333 1.547 0.659) 6.552 16.004 ( -0.087 -1.884 1.538) 2.433 16.100 ( -0.194 -4.483 -4.475) 6.337 16.245 ( -1.295 -0.614 -2.178) 2.608 16.527 ( 3.911 -7.976 2.422) 9.207 ======================= Grid point 16 (11/56) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 5.384 6.654 -5.507) 10.178 0.856 ( 5.462 7.994 2.293) 9.950 0.914 ( 1.254 4.801 -0.178) 4.965 0.951 ( -0.940 1.667 -0.163) 1.920 1.073 ( -4.439 3.740 1.810) 6.080 1.147 ( 0.136 2.433 0.669) 2.527 1.157 ( -1.592 6.218 -0.056) 6.419 1.252 ( 0.232 0.033 -4.209) 4.215 1.323 ( 0.086 3.737 6.896) 7.844 1.352 ( -1.132 2.693 4.622) 5.468 1.421 ( 0.567 4.464 -6.585) 7.976 1.467 ( -0.812 -0.254 -1.198) 1.469 1.491 ( -0.650 0.909 0.698) 1.317 1.591 ( 1.667 0.328 -0.200) 1.711 1.655 ( 4.107 0.565 0.921) 4.246 1.722 ( 0.366 0.422 -1.591) 1.687 1.838 ( -1.063 0.582 1.775) 2.149 1.858 ( 2.027 -0.931 -0.272) 2.247 1.871 ( -1.560 3.946 -0.861) 4.329 1.949 ( -0.231 0.100 -0.701) 0.745 2.047 ( 1.627 0.142 0.454) 1.695 2.121 ( -1.421 -0.372 -0.845) 1.695 2.267 ( 1.622 1.264 1.082) 2.324 2.336 ( -0.119 -0.672 0.069) 0.686 2.756 ( -1.197 7.640 -0.849) 7.780 2.824 ( -0.743 1.367 0.017) 1.556 2.911 ( -1.523 1.152 1.094) 2.201 2.976 ( -0.057 2.244 0.283) 2.263 3.069 ( 0.209 3.941 -1.724) 4.306 3.173 ( 1.285 1.211 -0.324) 1.796 3.234 ( -2.085 -0.872 -0.350) 2.287 3.333 ( 2.050 0.430 -1.018) 2.329 3.519 ( -2.302 1.665 0.768) 2.943 3.624 ( -0.297 -1.755 0.886) 1.988 3.741 ( -0.577 2.308 -0.791) 2.507 3.865 ( -1.883 4.017 2.525) 5.104 3.906 ( -0.078 -0.717 -1.876) 2.010 4.140 ( -0.410 -4.217 0.007) 4.237 4.205 ( 0.286 -6.162 -0.348) 6.179 4.311 ( 0.776 -4.936 0.292) 5.006 4.511 ( 1.925 4.310 -2.045) 5.144 4.582 ( -3.140 3.429 0.798) 4.718 4.747 ( -0.235 1.770 -1.439) 2.293 4.779 ( 0.594 -0.671 1.984) 2.177 5.091 ( -0.446 4.672 -0.304) 4.704 5.171 ( 0.106 -0.657 1.581) 1.715 5.298 ( 0.514 0.915 -0.080) 1.053 5.354 ( -1.979 -1.393 -0.429) 2.458 5.499 ( 0.552 1.265 0.662) 1.531 5.591 ( 0.577 1.143 -0.196) 1.295 5.779 ( 0.170 4.615 -0.133) 4.620 5.817 ( 0.626 -0.442 -0.527) 0.930 6.252 ( -0.391 3.542 -0.073) 3.564 6.540 ( -1.112 -3.383 -0.323) 3.576 6.635 ( -0.004 4.990 0.145) 4.992 6.698 ( -0.763 2.327 -0.206) 2.457 6.801 ( -0.392 1.973 -0.078) 2.013 6.893 ( 0.071 0.345 0.018) 0.353 7.080 ( -0.428 0.324 1.045) 1.175 7.089 ( -0.060 2.090 -0.700) 2.205 7.252 ( 0.273 -0.267 -0.660) 0.763 7.408 ( 0.726 -4.371 0.676) 4.482 7.619 ( -0.896 0.042 -0.683) 1.127 7.788 ( -0.282 -4.113 0.652) 4.174 7.915 ( 0.248 -1.558 1.201) 1.983 8.020 ( -0.522 -2.920 -1.183) 3.194 8.072 ( -0.515 0.239 -0.125) 0.582 8.321 ( -0.299 -4.347 0.928) 4.455 11.442 ( -0.185 -1.310 -0.322) 1.362 11.447 ( -0.035 -1.390 -0.015) 1.390 11.507 ( 0.018 -1.735 0.340) 1.768 11.510 ( 0.037 -1.674 0.090) 1.676 14.714 ( -0.267 1.349 -0.439) 1.443 14.790 ( 0.331 0.927 0.549) 1.127 14.821 ( 0.677 -0.786 0.335) 1.090 14.827 ( 0.125 -1.591 -0.240) 1.614 15.323 ( -0.447 4.846 -0.464) 4.889 15.359 ( 0.695 4.685 0.494) 4.762 15.455 ( 0.845 7.162 0.705) 7.246 15.580 ( -6.083 5.567 -0.112) 8.246 16.019 ( 0.154 -2.719 2.719) 3.848 16.063 ( -0.703 -3.495 -4.078) 5.417 16.216 ( -0.443 -0.108 -2.348) 2.392 16.606 ( 2.878 -10.143 1.898) 10.713 ======================= Grid point 17 (12/56) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 0.000 2.168 -0.000) 2.168 0.867 ( -0.000 5.541 0.000) 5.541 0.953 ( 0.000 5.466 0.000) 5.466 0.981 ( 0.000 5.564 0.000) 5.564 1.007 ( -0.000 3.626 0.000) 3.626 1.119 ( 0.000 10.521 -0.000) 10.521 1.154 ( 0.000 1.193 -0.000) 1.193 1.240 ( 0.000 -0.265 -0.000) 0.265 1.356 ( 0.000 -0.261 -0.000) 0.261 1.366 ( 0.000 4.223 -0.000) 4.223 1.384 ( 0.000 4.922 0.000) 4.922 1.458 ( 0.000 -3.333 0.000) 3.333 1.487 ( 0.000 2.384 0.000) 2.384 1.615 ( 0.000 1.683 -0.000) 1.683 1.714 ( 0.000 1.467 -0.000) 1.467 1.729 ( -0.000 -1.765 -0.000) 1.765 1.807 ( -0.000 1.195 0.000) 1.195 1.841 ( 0.000 3.910 0.000) 3.910 1.908 ( 0.000 0.416 -0.000) 0.416 1.932 ( 0.000 -1.522 0.000) 1.522 2.071 ( -0.000 1.301 0.000) 1.301 2.095 ( 0.000 -0.545 -0.000) 0.545 2.286 ( 0.000 1.200 0.000) 1.200 2.335 ( 0.000 -0.685 -0.000) 0.685 2.741 ( 0.000 7.844 0.000) 7.844 2.817 ( 0.000 1.541 -0.000) 1.541 2.900 ( 0.000 1.307 0.000) 1.307 2.976 ( 0.000 2.012 -0.000) 2.012 3.068 ( 0.000 4.216 -0.000) 4.216 3.193 ( -0.000 -2.504 0.000) 2.504 3.202 ( 0.000 3.289 0.000) 3.289 3.354 ( 0.000 0.966 -0.000) 0.966 3.495 ( 0.000 1.785 0.000) 1.785 3.624 ( 0.000 -1.869 -0.000) 1.869 3.731 ( 0.000 2.675 0.000) 2.675 3.859 ( 0.000 4.683 -0.000) 4.683 3.897 ( 0.000 -1.235 0.000) 1.235 4.136 ( 0.000 -4.072 0.000) 4.072 4.205 ( 0.000 -5.465 -0.000) 5.465 4.321 ( 0.000 -5.559 -0.000) 5.559 4.530 ( 0.000 2.269 -0.000) 2.269 4.547 ( -0.000 5.244 0.000) 5.244 4.740 ( 0.000 1.735 0.000) 1.735 4.792 ( 0.000 -0.932 0.000) 0.932 5.085 ( 0.000 4.654 0.000) 4.654 5.176 ( 0.000 -0.775 0.000) 0.775 5.304 ( 0.000 1.024 -0.000) 1.024 5.331 ( 0.000 -0.900 0.000) 0.900 5.507 ( 0.000 1.216 0.000) 1.216 5.596 ( 0.000 1.076 -0.000) 1.076 5.780 ( 0.000 4.776 0.000) 4.776 5.821 ( 0.000 -0.539 -0.000) 0.539 6.248 ( 0.000 3.639 0.000) 3.639 6.528 ( 0.000 -2.460 0.000) 2.460 6.636 ( 0.000 4.920 -0.000) 4.920 6.690 ( -0.000 2.476 -0.000) 2.476 6.797 ( 0.000 1.700 0.000) 1.700 6.894 ( 0.000 0.317 0.000) 0.317 7.079 ( 0.000 0.328 -0.000) 0.328 7.086 ( 0.000 2.043 0.000) 2.043 7.253 ( -0.000 -0.219 0.000) 0.219 7.418 ( 0.000 -4.432 -0.000) 4.432 7.610 ( 0.000 0.144 0.000) 0.144 7.785 ( 0.000 -3.594 0.000) 3.594 7.923 ( 0.000 -2.397 -0.000) 2.397 8.009 ( 0.000 -2.427 0.000) 2.427 8.068 ( -0.000 -0.270 -0.000) 0.270 8.320 ( 0.000 -4.200 -0.000) 4.200 11.439 ( 0.000 -1.268 0.000) 1.268 11.446 ( 0.000 -1.399 0.000) 1.399 11.509 ( 0.000 -1.631 0.000) 1.631 11.511 ( 0.000 -1.732 -0.000) 1.732 14.710 ( 0.000 1.440 0.000) 1.440 14.795 ( 0.000 1.024 0.000) 1.024 14.823 ( 0.000 -1.272 0.000) 1.272 14.833 ( 0.000 -1.345 -0.000) 1.345 15.317 ( 0.000 4.875 -0.000) 4.875 15.368 ( 0.000 4.678 0.000) 4.678 15.490 ( -0.000 5.871 0.000) 5.871 15.496 ( 0.000 7.961 0.000) 7.961 16.033 ( -0.000 -3.156 0.000) 3.156 16.040 ( 0.000 -3.005 -0.000) 3.005 16.204 ( 0.000 0.235 -0.000) 0.235 16.639 ( 0.000 -11.028 0.000) 11.028 ======================= Grid point 21 (13/56) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.000 3.573 0.000) 3.573 0.907 ( 0.000 -0.659 0.000) 0.659 0.940 ( 0.000 9.781 0.000) 9.781 1.033 ( 0.000 8.957 0.000) 8.957 1.068 ( 0.000 -3.659 0.000) 3.659 1.219 ( 0.000 -4.175 0.000) 4.175 1.251 ( 0.000 4.686 0.000) 4.686 1.333 ( 0.000 4.466 0.000) 4.466 1.336 ( 0.000 2.760 0.000) 2.760 1.369 ( 0.000 -4.565 0.000) 4.565 1.414 ( 0.000 -4.393 0.000) 4.393 1.454 ( 0.000 -4.721 0.000) 4.721 1.492 ( 0.000 2.683 0.000) 2.683 1.527 ( 0.000 -0.522 0.000) 0.522 1.734 ( 0.000 3.831 0.000) 3.831 1.759 ( 0.000 1.000 0.000) 1.000 1.838 ( 0.000 3.677 0.000) 3.677 1.914 ( 0.000 -2.540 0.000) 2.540 1.952 ( 0.000 3.258 0.000) 3.258 1.966 ( 0.000 2.843 0.000) 2.843 1.971 ( 0.000 -0.626 0.000) 0.626 2.069 ( 0.000 -4.664 0.000) 4.664 2.260 ( 0.000 2.562 0.000) 2.562 2.311 ( 0.000 -2.082 0.000) 2.082 2.870 ( 0.000 1.782 0.000) 1.782 2.890 ( 0.000 2.266 0.000) 2.266 2.931 ( 0.000 -0.592 0.000) 0.592 2.979 ( 0.000 -2.526 0.000) 2.526 3.165 ( 0.000 2.256 0.000) 2.256 3.169 ( 0.000 2.117 0.000) 2.117 3.236 ( 0.000 -1.400 0.000) 1.400 3.255 ( 0.000 -2.820 0.000) 2.820 3.606 ( 0.000 1.161 0.000) 1.161 3.611 ( 0.000 0.061 0.000) 0.061 3.793 ( 0.000 2.223 0.000) 2.223 3.868 ( 0.000 -4.295 0.000) 4.295 4.001 ( 0.000 2.618 0.000) 2.618 4.025 ( 0.000 -2.062 0.000) 2.062 4.123 ( 0.000 1.663 0.000) 1.663 4.219 ( 0.000 -4.944 0.000) 4.944 4.601 ( 0.000 5.110 0.000) 5.110 4.678 ( 0.000 -2.047 0.000) 2.047 4.769 ( 0.000 2.707 0.000) 2.707 4.807 ( 0.000 0.114 0.000) 0.114 5.174 ( 0.000 2.690 0.000) 2.690 5.186 ( 0.000 2.290 0.000) 2.290 5.287 ( 0.000 -0.242 0.000) 0.242 5.327 ( 0.000 -4.084 0.000) 4.084 5.522 ( 0.000 2.630 0.000) 2.630 5.571 ( 0.000 -1.553 0.000) 1.553 5.826 ( 0.000 1.646 0.000) 1.646 5.837 ( 0.000 1.123 0.000) 1.123 6.347 ( 0.000 4.508 0.000) 4.508 6.451 ( 0.000 -5.370 0.000) 5.370 6.708 ( 0.000 1.814 0.000) 1.814 6.727 ( 0.000 -0.307 0.000) 0.307 6.870 ( 0.000 1.984 0.000) 1.984 6.895 ( 0.000 -0.328 0.000) 0.328 7.101 ( 0.000 1.393 0.000) 1.393 7.124 ( 0.000 -0.158 0.000) 0.158 7.256 ( 0.000 1.334 0.000) 1.334 7.307 ( 0.000 -3.061 0.000) 3.061 7.662 ( 0.000 -1.089 0.000) 1.089 7.677 ( 0.000 -2.406 0.000) 2.406 7.921 ( 0.000 1.962 0.000) 1.962 7.974 ( 0.000 -2.927 0.000) 2.927 8.139 ( 0.000 2.529 0.000) 2.529 8.213 ( 0.000 -4.297 0.000) 4.297 11.428 ( 0.000 -0.421 0.000) 0.421 11.430 ( 0.000 -0.568 0.000) 0.568 11.472 ( 0.000 -0.819 0.000) 0.819 11.476 ( 0.000 -1.060 0.000) 1.060 14.752 ( 0.000 1.506 0.000) 1.506 14.779 ( 0.000 -0.842 0.000) 0.842 14.791 ( 0.000 0.571 0.000) 0.571 14.806 ( 0.000 -0.970 0.000) 0.970 15.416 ( 0.000 2.118 0.000) 2.118 15.417 ( 0.000 2.010 0.000) 2.010 15.588 ( 0.000 6.155 0.000) 6.155 15.697 ( 0.000 -4.147 0.000) 4.147 15.993 ( 0.000 0.592 0.000) 0.592 16.031 ( 0.000 -3.030 0.000) 3.030 16.273 ( 0.000 1.693 0.000) 1.693 16.347 ( 0.000 -5.095 0.000) 5.095 ======================= Grid point 22 (14/56) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.939 2.837 -2.903) 4.166 0.910 ( 0.922 0.337 0.473) 1.090 0.986 ( 3.294 6.622 0.681) 7.427 1.041 ( 1.028 10.023 0.699) 10.100 1.090 ( 1.700 -3.143 1.062) 3.727 1.207 ( -1.517 1.209 -0.609) 2.033 1.235 ( -1.030 -0.765 -0.162) 1.293 1.304 ( -0.673 2.514 -3.589) 4.433 1.348 ( -2.463 -4.528 1.865) 5.482 1.369 ( 1.221 2.501 1.750) 3.287 1.410 ( -0.795 -1.368 3.785) 4.102 1.490 ( 2.183 -4.172 2.058) 5.138 1.508 ( 1.585 2.652 0.266) 3.101 1.542 ( 1.652 -0.381 -0.216) 1.709 1.692 ( -2.054 4.462 -2.479) 5.503 1.758 ( -0.864 -1.858 -2.418) 3.170 1.824 ( 0.615 4.750 -1.542) 5.032 1.889 ( -1.948 -0.890 0.479) 2.195 1.942 ( -0.295 1.284 -2.613) 2.926 1.979 ( 0.366 -0.924 -0.908) 1.346 2.000 ( 2.302 2.942 1.932) 4.206 2.084 ( 0.932 -3.793 0.956) 4.021 2.267 ( 0.513 2.028 0.954) 2.299 2.311 ( -0.041 -1.897 0.147) 1.904 2.867 ( -0.574 1.941 0.579) 2.105 2.882 ( -0.572 2.930 -0.569) 3.039 2.924 ( -0.774 -0.795 0.325) 1.156 2.975 ( -0.394 -2.802 0.007) 2.830 3.151 ( -0.402 2.702 -1.452) 3.094 3.178 ( 0.310 0.886 -0.721) 1.184 3.236 ( 0.129 -0.638 -0.566) 0.863 3.267 ( 1.437 -2.603 0.217) 2.981 3.594 ( -1.463 1.406 0.729) 2.156 3.607 ( -0.604 -0.275 0.404) 0.777 3.793 ( -0.061 2.345 -0.017) 2.346 3.865 ( -0.447 -3.832 0.347) 3.873 3.996 ( 0.086 3.418 -0.905) 3.537 4.043 ( 1.066 -2.947 1.361) 3.417 4.116 ( -0.421 1.756 -1.055) 2.091 4.216 ( -0.328 -5.031 0.234) 5.047 4.602 ( -0.151 4.664 0.765) 4.729 4.667 ( -1.189 -1.099 0.112) 1.623 4.770 ( 0.098 2.134 0.373) 2.169 4.800 ( -0.504 0.338 -0.460) 0.762 5.177 ( 0.198 2.203 0.161) 2.218 5.182 ( -0.396 2.397 -0.156) 2.435 5.287 ( 0.043 -0.520 -0.356) 0.631 5.321 ( -0.517 -3.662 -0.491) 3.731 5.528 ( 0.415 2.606 0.617) 2.710 5.577 ( 0.376 -1.523 0.497) 1.646 5.829 ( 0.412 1.584 -0.370) 1.678 5.839 ( 0.360 1.148 -0.285) 1.237 6.346 ( -0.064 4.614 -0.175) 4.618 6.449 ( -0.048 -5.189 -0.264) 5.196 6.707 ( -0.031 1.826 -0.066) 1.827 6.726 ( -0.154 -0.170 -0.063) 0.237 6.866 ( -0.456 2.182 0.199) 2.238 6.894 ( -0.152 -0.438 0.114) 0.478 7.098 ( -0.611 1.247 1.200) 1.835 7.120 ( -0.396 -0.178 -0.299) 0.527 7.261 ( 0.592 1.563 -0.315) 1.701 7.313 ( 0.685 -3.139 0.015) 3.213 7.645 ( -0.764 0.377 -1.007) 1.319 7.687 ( 0.530 -3.549 -0.078) 3.590 7.919 ( -0.315 1.677 0.250) 1.725 7.968 ( -0.596 -2.873 -0.018) 2.934 8.130 ( -0.776 3.054 -0.112) 3.153 8.215 ( -0.160 -4.741 0.818) 4.814 11.427 ( -0.060 -0.386 -0.077) 0.398 11.429 ( -0.090 -0.489 0.031) 0.498 11.473 ( 0.060 -0.862 0.088) 0.868 11.477 ( 0.054 -1.101 0.085) 1.105 14.752 ( 0.035 1.672 -0.296) 1.698 14.785 ( 0.334 -1.092 0.404) 1.212 14.796 ( 0.601 0.370 -0.152) 0.722 14.805 ( 0.077 -0.655 0.031) 0.660 15.413 ( -0.295 2.230 -0.178) 2.256 15.418 ( 0.189 1.831 0.110) 1.844 15.585 ( -0.515 5.694 0.584) 5.747 15.678 ( -2.145 -2.996 0.445) 3.711 15.987 ( -0.426 0.411 -0.074) 0.596 16.022 ( -0.317 -2.809 -2.027) 3.478 16.266 ( -0.486 2.847 -0.241) 2.898 16.367 ( 1.552 -6.602 1.015) 6.857 ======================= Grid point 23 (15/56) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 1.316 2.745 -2.229) 3.773 0.929 ( 0.397 -1.144 -0.570) 1.339 1.034 ( 2.622 5.856 -0.484) 6.434 1.085 ( 2.344 8.129 0.819) 8.500 1.125 ( 1.313 -1.966 0.524) 2.422 1.160 ( -3.347 4.786 1.071) 5.938 1.219 ( -0.576 -2.897 -1.348) 3.247 1.269 ( -1.138 0.407 -1.970) 2.311 1.325 ( -0.862 -2.589 1.851) 3.298 1.372 ( -1.462 -3.070 0.515) 3.439 1.447 ( 0.928 5.694 6.587) 8.756 1.528 ( 1.753 1.659 -3.259) 4.055 1.539 ( 1.160 2.029 0.309) 2.357 1.581 ( 1.785 -1.814 2.187) 3.356 1.663 ( 0.363 1.438 -1.224) 1.923 1.720 ( -0.925 -1.981 -2.514) 3.331 1.843 ( 0.835 1.017 0.289) 1.347 1.858 ( -1.628 -0.078 0.338) 1.665 1.925 ( 0.626 2.267 -2.399) 3.359 1.968 ( -0.750 -0.255 -0.964) 1.247 2.048 ( 2.160 1.202 -0.149) 2.476 2.095 ( -0.503 -2.242 0.609) 2.377 2.287 ( 0.780 0.893 0.999) 1.550 2.312 ( 0.025 -1.387 0.334) 1.427 2.858 ( -0.633 3.262 0.390) 3.346 2.869 ( -0.510 3.315 -0.447) 3.384 2.911 ( -0.731 -1.026 0.387) 1.318 2.968 ( -0.357 -3.432 0.017) 3.450 3.141 ( 0.344 2.165 -1.355) 2.577 3.167 ( -0.704 -0.226 -1.085) 1.313 3.241 ( 0.487 1.566 -0.016) 1.640 3.300 ( 1.851 -3.040 -0.053) 3.559 3.566 ( -1.914 2.053 0.789) 2.915 3.596 ( -0.775 -1.061 0.401) 1.374 3.790 ( -0.219 2.675 -0.125) 2.687 3.858 ( -0.446 -3.166 0.255) 3.207 3.996 ( 0.373 4.494 -0.608) 4.550 4.066 ( 0.432 -4.316 1.226) 4.508 4.101 ( -0.347 2.286 -1.141) 2.578 4.214 ( 0.005 -5.307 0.333) 5.318 4.604 ( -0.155 3.794 0.678) 3.857 4.643 ( -1.190 0.702 -0.063) 1.383 4.776 ( 0.162 0.876 0.537) 1.040 4.788 ( -0.501 0.805 -0.392) 1.026 5.173 ( -0.381 2.697 -0.226) 2.733 5.181 ( 0.105 1.414 0.186) 1.430 5.286 ( 0.168 -1.145 -0.450) 1.241 5.306 ( -0.747 -2.748 -0.422) 2.879 5.541 ( 0.439 2.499 0.593) 2.606 5.587 ( 0.349 -1.424 0.424) 1.527 5.835 ( 0.389 1.498 -0.318) 1.580 5.845 ( 0.381 1.180 -0.268) 1.269 6.344 ( -0.063 4.839 -0.203) 4.843 6.447 ( -0.067 -4.819 -0.242) 4.825 6.707 ( 0.008 1.836 -0.090) 1.838 6.722 ( -0.148 0.125 -0.044) 0.199 6.858 ( -0.489 2.528 0.196) 2.582 6.892 ( -0.169 -0.681 0.111) 0.710 7.095 ( -0.550 0.976 1.191) 1.635 7.110 ( -0.367 -0.124 -0.337) 0.514 7.271 ( 0.576 1.978 -0.286) 2.080 7.328 ( 0.764 -3.301 -0.051) 3.388 7.630 ( -0.323 1.473 -0.706) 1.665 7.692 ( 0.149 -4.227 -0.178) 4.233 7.914 ( -0.339 1.211 0.269) 1.286 7.957 ( -0.502 -2.725 -0.077) 2.772 8.116 ( -0.665 3.677 0.045) 3.737 8.215 ( -0.345 -5.315 0.662) 5.367 11.425 ( -0.101 -0.246 -0.078) 0.277 11.427 ( -0.059 -0.446 0.023) 0.451 11.475 ( 0.080 -0.957 0.162) 0.974 11.478 ( 0.038 -1.122 0.003) 1.123 14.749 ( -0.114 1.871 -0.376) 1.912 14.789 ( -0.005 -1.801 -0.092) 1.803 14.807 ( 0.503 0.471 0.169) 0.709 14.814 ( 0.591 -0.181 0.252) 0.667 15.406 ( -0.301 2.647 -0.253) 2.676 15.423 ( 0.263 1.144 0.166) 1.186 15.581 ( -0.191 4.488 0.746) 4.553 15.634 ( -2.610 -0.256 0.196) 2.630 15.982 ( -0.179 -0.474 0.366) 0.625 16.001 ( -0.346 -2.126 -2.283) 3.138 16.259 ( -0.177 4.407 -0.112) 4.412 16.400 ( 1.216 -8.732 0.865) 8.859 ======================= Grid point 24 (16/56) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 0.000 1.850 -0.000) 1.850 0.919 ( 0.000 0.432 0.000) 0.432 1.077 ( 0.000 3.043 0.000) 3.043 1.101 ( 0.000 5.118 -0.000) 5.118 1.123 ( 0.000 6.847 -0.000) 6.847 1.140 ( 0.000 0.209 0.000) 0.209 1.205 ( -0.000 -3.507 -0.000) 3.507 1.252 ( 0.000 0.380 -0.000) 0.380 1.337 ( -0.000 -0.752 0.000) 0.752 1.345 ( 0.000 -3.729 -0.000) 3.729 1.488 ( 0.000 5.632 -0.000) 5.632 1.521 ( 0.000 5.767 0.000) 5.767 1.550 ( 0.000 3.333 -0.000) 3.333 1.609 ( 0.000 -2.905 -0.000) 2.905 1.673 ( 0.000 -2.242 -0.000) 2.242 1.703 ( -0.000 -2.988 0.000) 2.988 1.836 ( 0.000 1.011 -0.000) 1.011 1.852 ( 0.000 -0.864 0.000) 0.864 1.935 ( 0.000 2.007 0.000) 2.007 1.953 ( 0.000 1.215 0.000) 1.215 2.077 ( -0.002 -0.830 0.001) 0.830 2.077 ( 0.002 -0.413 -0.001) 0.413 2.298 ( 0.000 0.378 0.000) 0.378 2.314 ( 0.000 -1.070 -0.000) 1.070 2.854 ( 0.000 4.978 0.000) 4.978 2.861 ( -0.000 2.426 -0.000) 2.426 2.906 ( 0.000 -1.020 0.000) 1.020 2.964 ( 0.000 -3.806 0.000) 3.806 3.147 ( -0.000 1.842 0.000) 1.842 3.150 ( 0.000 -0.332 -0.000) 0.332 3.246 ( 0.000 2.377 0.000) 2.377 3.320 ( 0.000 -3.565 0.000) 3.565 3.548 ( 0.000 2.579 0.000) 2.579 3.589 ( 0.000 -1.529 -0.000) 1.529 3.787 ( 0.000 2.919 -0.000) 2.919 3.854 ( 0.000 -2.943 0.000) 2.943 3.998 ( 0.000 4.740 0.000) 4.740 4.073 ( 0.000 -5.102 -0.000) 5.102 4.094 ( 0.000 3.034 0.000) 3.034 4.217 ( 0.000 -5.532 0.000) 5.532 4.604 ( 0.000 3.355 -0.000) 3.355 4.631 ( 0.000 1.536 0.000) 1.536 4.780 ( 0.000 0.226 -0.000) 0.226 4.781 ( -0.000 1.075 0.000) 1.075 5.168 ( 0.000 2.848 0.000) 2.848 5.182 ( 0.000 1.128 -0.000) 1.128 5.287 ( 0.000 -1.630 -0.000) 1.630 5.295 ( 0.000 -2.127 -0.000) 2.127 5.547 ( 0.000 2.418 0.000) 2.418 5.592 ( 0.000 -1.352 0.000) 1.352 5.838 ( 0.000 1.451 0.000) 1.451 5.848 ( 0.000 1.213 -0.000) 1.213 6.342 ( 0.000 4.958 0.000) 4.958 6.445 ( 0.000 -4.627 0.000) 4.627 6.707 ( 0.000 1.817 0.000) 1.817 6.721 ( 0.000 0.293 -0.000) 0.293 6.854 ( 0.000 2.677 0.000) 2.677 6.890 ( 0.000 -0.812 -0.000) 0.812 7.093 ( 0.000 0.853 -0.000) 0.853 7.105 ( 0.000 -0.071 0.000) 0.071 7.276 ( -0.000 2.172 0.000) 2.172 7.335 ( 0.000 -3.397 -0.000) 3.397 7.625 ( 0.000 1.756 0.000) 1.756 7.693 ( 0.000 -4.401 0.000) 4.401 7.911 ( 0.000 1.023 -0.000) 1.023 7.952 ( 0.000 -2.598 0.000) 2.598 8.110 ( -0.000 3.828 0.000) 3.828 8.213 ( 0.000 -5.501 0.000) 5.501 11.423 ( 0.000 -0.168 -0.000) 0.168 11.427 ( 0.000 -0.453 0.000) 0.453 11.477 ( 0.000 -1.025 0.000) 1.025 11.478 ( 0.000 -1.089 0.000) 1.089 14.746 ( 0.000 1.939 0.000) 1.939 14.788 ( 0.000 -1.924 0.000) 1.924 14.813 ( 0.000 0.608 0.000) 0.608 14.821 ( 0.000 -0.229 -0.000) 0.229 15.402 ( 0.000 2.853 -0.000) 2.853 15.427 ( 0.000 0.702 0.000) 0.702 15.587 ( 0.000 3.053 0.000) 3.053 15.602 ( 0.000 2.002 0.000) 2.002 15.983 ( -0.000 -1.186 0.000) 1.186 15.989 ( 0.000 -1.601 -0.000) 1.601 16.257 ( 0.000 5.048 -0.000) 5.048 16.415 ( 0.000 -9.584 0.000) 9.584 ======================= Grid point 49 (17/56) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( 0.124 0.000 15.656) 15.657 0.356 ( 12.955 0.000 17.326) 21.634 0.616 ( -12.795 0.000 24.137) 27.319 0.914 ( 0.733 0.000 -9.197) 9.226 0.995 ( -7.658 0.000 -6.937) 10.333 1.050 ( 4.353 0.000 -6.058) 7.460 1.107 ( -0.276 0.000 4.327) 4.336 1.129 ( -0.996 0.000 -5.115) 5.211 1.149 ( 2.945 0.000 -0.289) 2.960 1.247 ( 2.289 0.000 2.043) 3.069 1.327 ( -5.156 0.000 -1.830) 5.471 1.461 ( 2.004 0.000 -0.057) 2.004 1.473 ( -2.713 0.000 4.640) 5.374 1.588 ( -1.638 0.000 1.976) 2.566 1.690 ( 3.064 0.000 0.918) 3.198 1.730 ( 7.063 0.000 -3.030) 7.686 1.756 ( -4.154 0.000 1.985) 4.603 1.791 ( 1.107 0.000 0.760) 1.343 1.885 ( -1.167 0.000 -3.566) 3.752 1.890 ( -0.546 0.000 -1.582) 1.673 2.028 ( 1.936 0.000 0.114) 1.939 2.037 ( 0.018 0.000 0.122) 0.123 2.273 ( -1.930 0.000 3.489) 3.987 2.317 ( -0.560 0.000 0.718) 0.910 2.389 ( -0.350 0.000 3.469) 3.487 2.552 ( -0.053 0.000 -0.162) 0.170 2.837 ( 0.886 0.000 -1.392) 1.650 2.886 ( -0.379 0.000 -1.739) 1.780 2.971 ( 0.574 0.000 -0.047) 0.576 3.081 ( 1.348 0.000 -4.580) 4.775 3.171 ( -3.076 0.000 2.240) 3.805 3.273 ( 2.002 0.000 -2.634) 3.308 3.497 ( -0.138 0.000 1.790) 1.795 3.653 ( 0.719 0.000 -4.162) 4.223 3.981 ( -1.040 0.000 5.260) 5.362 4.016 ( -0.787 0.000 3.231) 3.325 4.149 ( -4.548 0.000 5.601) 7.215 4.226 ( -3.637 0.000 -5.295) 6.424 4.272 ( 2.201 0.000 -6.529) 6.890 4.280 ( 3.924 0.000 -1.039) 4.059 4.507 ( 0.311 0.000 3.086) 3.101 4.709 ( -2.738 0.000 -3.869) 4.740 4.794 ( -1.345 0.000 2.759) 3.069 4.802 ( -2.877 0.000 3.600) 4.608 5.010 ( -2.363 0.000 2.353) 3.335 5.174 ( 2.376 0.000 -3.862) 4.535 5.407 ( 0.066 0.000 1.070) 1.072 5.466 ( -1.801 0.000 -2.024) 2.710 5.488 ( 0.038 0.000 3.104) 3.104 5.542 ( -1.736 0.000 2.287) 2.871 5.598 ( 0.993 0.000 -0.984) 1.398 5.834 ( 1.168 0.000 -7.867) 7.953 6.262 ( -0.548 0.000 6.657) 6.680 6.417 ( 0.831 0.000 -1.895) 2.070 6.423 ( 0.197 0.000 0.857) 0.879 6.680 ( 1.498 0.000 -7.341) 7.492 6.802 ( 0.169 0.000 -0.257) 0.308 6.850 ( 0.410 0.000 -2.581) 2.613 7.041 ( -2.542 0.000 1.612) 3.010 7.160 ( 4.967 0.000 -6.277) 8.004 7.562 ( -3.938 0.000 5.859) 7.059 7.702 ( -3.239 0.000 0.234) 3.247 7.712 ( -14.154 0.000 9.458) 17.023 7.754 ( 3.750 0.000 2.106) 4.301 8.011 ( 0.669 0.000 -6.718) 6.751 8.033 ( 1.548 0.000 -3.567) 3.888 8.292 ( 3.981 0.000 4.640) 6.114 8.402 ( 0.201 0.000 -0.645) 0.676 11.492 ( 0.233 0.000 -0.328) 0.402 11.492 ( -0.212 0.000 -0.416) 0.467 11.555 ( 0.017 0.000 0.714) 0.715 11.572 ( -0.156 0.000 -0.035) 0.159 14.719 ( -0.774 0.000 0.588) 0.972 14.747 ( 1.064 0.000 -0.381) 1.130 14.866 ( -0.163 0.000 0.278) 0.322 14.889 ( 5.735 0.000 -0.782) 5.788 15.149 ( -0.020 0.000 0.495) 0.495 15.181 ( 0.127 0.000 -0.752) 0.762 15.235 ( -0.104 0.000 0.089) 0.137 15.239 ( 0.758 0.000 -0.060) 0.760 16.107 ( 2.368 0.000 4.252) 4.867 16.304 ( -3.783 0.000 -3.430) 5.107 16.656 ( 7.865 0.000 1.381) 7.985 16.722 ( -26.656 0.000 -1.205) 26.683 ======================= Grid point 50 (18/56) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 5.820 0.000 12.460) 13.752 0.504 ( -4.285 0.000 18.204) 18.702 0.773 ( -6.861 0.000 -12.998) 14.698 0.809 ( 15.114 0.000 8.420) 17.301 0.901 ( 4.586 0.000 -5.189) 6.925 1.028 ( -4.039 0.000 -1.172) 4.206 1.120 ( -2.155 0.000 6.274) 6.633 1.139 ( 1.312 0.000 -5.035) 5.203 1.180 ( 1.106 0.000 -0.965) 1.468 1.230 ( -1.721 0.000 -3.435) 3.842 1.304 ( 2.066 0.000 3.199) 3.808 1.445 ( -2.905 0.000 4.236) 5.136 1.504 ( 1.794 0.000 0.172) 1.802 1.559 ( -0.755 0.000 -1.439) 1.625 1.696 ( -3.311 0.000 5.184) 6.151 1.712 ( -1.043 0.000 -2.130) 2.372 1.801 ( -3.240 0.000 -1.795) 3.704 1.834 ( 2.778 0.000 -1.053) 2.971 1.846 ( 3.281 0.000 2.071) 3.879 1.881 ( 1.778 0.000 -2.046) 2.711 2.048 ( 1.350 0.000 0.395) 1.407 2.097 ( 4.925 0.000 -2.471) 5.510 2.262 ( -1.476 0.000 0.701) 1.634 2.309 ( -0.611 0.000 0.653) 0.894 2.385 ( -2.676 0.000 3.586) 4.475 2.543 ( -0.587 0.000 -0.430) 0.728 2.857 ( 1.804 0.000 -1.117) 2.122 2.877 ( 0.543 0.000 -0.992) 1.130 2.980 ( 0.806 0.000 -0.709) 1.073 3.078 ( 1.313 0.000 -4.521) 4.708 3.107 ( -5.474 0.000 4.026) 6.795 3.287 ( 1.072 0.000 -2.411) 2.638 3.502 ( -0.752 0.000 2.268) 2.389 3.643 ( 1.064 0.000 -4.373) 4.501 3.986 ( -2.273 0.000 5.960) 6.379 4.021 ( -0.712 0.000 3.510) 3.582 4.060 ( -11.432 0.000 7.019) 13.415 4.111 ( -2.216 0.000 3.602) 4.230 4.267 ( 1.639 0.000 -6.641) 6.841 4.362 ( 3.516 0.000 0.126) 3.518 4.532 ( -0.432 0.000 5.061) 5.079 4.603 ( -3.199 0.000 -4.477) 5.502 4.784 ( -1.331 0.000 2.264) 2.626 4.819 ( 0.167 0.000 3.486) 3.490 4.989 ( -1.093 0.000 1.286) 1.688 5.191 ( 1.692 0.000 -3.598) 3.976 5.356 ( -7.536 0.000 3.226) 8.198 5.396 ( -1.887 0.000 1.055) 2.162 5.507 ( -0.432 0.000 3.742) 3.767 5.534 ( -0.588 0.000 2.363) 2.435 5.605 ( 0.194 0.000 -0.622) 0.652 5.812 ( 1.804 0.000 -8.010) 8.211 6.285 ( -1.359 0.000 6.550) 6.690 6.419 ( 0.621 0.000 -1.995) 2.089 6.427 ( -0.528 0.000 1.034) 1.161 6.625 ( -0.943 0.000 -8.175) 8.229 6.807 ( 0.318 0.000 0.237) 0.397 6.844 ( 0.787 0.000 -2.879) 2.985 6.993 ( -2.852 0.000 0.269) 2.865 7.146 ( -1.829 0.000 -3.151) 3.643 7.476 ( -7.313 0.000 14.627) 16.353 7.644 ( -2.720 0.000 0.019) 2.720 7.644 ( -2.345 0.000 6.825) 7.217 7.826 ( 1.678 0.000 3.777) 4.132 7.987 ( 0.785 0.000 -5.431) 5.488 8.046 ( 1.964 0.000 -2.958) 3.551 8.309 ( -3.108 0.000 4.860) 5.769 8.392 ( -0.643 0.000 -1.213) 1.372 11.486 ( -0.171 0.000 -0.336) 0.377 11.496 ( 0.307 0.000 -0.223) 0.379 11.555 ( -0.410 0.000 0.588) 0.717 11.561 ( -0.704 0.000 0.231) 0.741 14.704 ( -0.995 0.000 0.254) 1.027 14.758 ( 0.427 0.000 -0.052) 0.430 14.864 ( -0.150 0.000 0.032) 0.153 14.955 ( 2.724 0.000 -4.661) 5.398 15.149 ( -0.258 0.000 0.573) 0.628 15.177 ( -0.016 0.000 -0.855) 0.855 15.232 ( -0.176 0.000 -0.065) 0.188 15.236 ( -0.981 0.000 0.407) 1.062 16.168 ( -1.467 0.000 6.566) 6.728 16.201 ( -4.146 0.000 -3.766) 5.601 16.327 ( -12.899 0.000 9.788) 16.192 16.823 ( 7.192 0.000 3.790) 8.129 ======================= Grid point 51 (19/56) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 3.437 0.000 10.717) 11.254 0.624 ( 3.661 0.000 6.430) 7.399 0.682 ( 3.946 0.000 -4.627) 6.081 0.896 ( 4.827 0.000 -8.526) 9.797 0.935 ( -4.936 0.000 -0.224) 4.941 1.061 ( -4.240 0.000 -1.176) 4.400 1.072 ( -5.016 0.000 7.108) 8.699 1.135 ( 6.102 0.000 2.013) 6.426 1.191 ( 1.687 0.000 -1.252) 2.100 1.252 ( 4.594 0.000 -5.915) 7.490 1.335 ( -0.509 0.000 1.989) 2.053 1.449 ( 0.011 0.000 7.267) 7.267 1.497 ( -1.172 0.000 -1.340) 1.781 1.580 ( 2.992 0.000 -1.778) 3.481 1.664 ( -2.359 0.000 -1.719) 2.919 1.684 ( -1.117 0.000 3.900) 4.057 1.742 ( -2.640 0.000 1.198) 2.899 1.825 ( -1.201 0.000 -1.740) 2.114 1.903 ( 1.646 0.000 0.912) 1.882 1.941 ( 4.043 0.000 -2.575) 4.794 2.094 ( 2.337 0.000 3.136) 3.911 2.157 ( 3.391 0.000 -3.204) 4.665 2.204 ( -4.596 0.000 -1.699) 4.900 2.303 ( -0.228 0.000 -0.097) 0.248 2.349 ( -2.545 0.000 2.832) 3.808 2.528 ( -0.499 0.000 -1.311) 1.403 2.881 ( 1.425 0.000 -1.010) 1.747 2.896 ( 1.262 0.000 1.232) 1.764 2.997 ( 1.642 0.000 -0.627) 1.758 3.035 ( -5.301 0.000 4.745) 7.115 3.077 ( 1.403 0.000 -4.331) 4.552 3.282 ( 0.267 0.000 -3.276) 3.287 3.495 ( -1.605 0.000 2.800) 3.227 3.643 ( 1.691 0.000 -4.193) 4.521 3.931 ( -8.716 0.000 11.420) 14.366 3.972 ( -2.521 0.000 4.899) 5.509 4.039 ( 0.054 0.000 3.868) 3.868 4.117 ( 0.068 0.000 4.499) 4.499 4.257 ( 1.471 0.000 -6.158) 6.331 4.408 ( 0.500 0.000 2.927) 2.970 4.545 ( -1.511 0.000 4.935) 5.161 4.561 ( 2.547 0.000 -8.075) 8.467 4.777 ( -0.809 0.000 2.492) 2.620 4.826 ( -1.108 0.000 2.022) 2.305 4.983 ( -0.334 0.000 0.747) 0.818 5.187 ( 0.430 0.000 -4.287) 4.308 5.263 ( -5.279 0.000 3.973) 6.607 5.363 ( -1.863 0.000 0.391) 1.904 5.511 ( -1.457 0.000 3.694) 3.971 5.546 ( 0.154 0.000 2.433) 2.438 5.603 ( 0.056 0.000 -0.276) 0.282 5.806 ( 2.631 0.000 -7.639) 8.079 6.283 ( -2.772 0.000 5.362) 6.036 6.417 ( -0.693 0.000 0.180) 0.717 6.417 ( 0.342 0.000 -1.413) 1.454 6.577 ( 1.719 0.000 -10.321) 10.463 6.813 ( -0.039 0.000 0.632) 0.634 6.846 ( 1.193 0.000 -2.472) 2.745 6.961 ( -0.472 0.000 0.009) 0.473 7.104 ( -0.887 0.000 -2.662) 2.806 7.468 ( -3.892 0.000 14.054) 14.583 7.612 ( -1.042 0.000 0.741) 1.278 7.653 ( -0.821 0.000 6.143) 6.197 7.851 ( -0.915 0.000 2.706) 2.857 7.973 ( 0.778 0.000 -4.535) 4.601 8.061 ( 0.958 0.000 -2.028) 2.242 8.270 ( -4.120 0.000 5.071) 6.534 8.371 ( -0.452 0.000 -1.832) 1.887 11.484 ( 0.055 0.000 -0.068) 0.088 11.499 ( 0.105 0.000 -0.210) 0.235 11.549 ( -0.513 0.000 0.359) 0.626 11.554 ( -0.230 0.000 0.046) 0.235 14.692 ( -0.494 0.000 0.449) 0.668 14.762 ( 0.094 0.000 -0.494) 0.503 14.862 ( -0.034 0.000 -0.042) 0.054 14.946 ( -0.657 0.000 -3.278) 3.343 15.146 ( -0.399 0.000 0.538) 0.669 15.173 ( 0.183 0.000 -0.993) 1.010 15.222 ( -0.839 0.000 0.830) 1.180 15.229 ( -0.043 0.000 -0.196) 0.201 16.101 ( -4.653 0.000 1.791) 4.986 16.129 ( -1.527 0.000 -2.731) 3.129 16.355 ( 2.883 0.000 11.938) 12.281 16.922 ( 1.726 0.000 1.008) 1.998 ======================= Grid point 52 (20/56) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -6.290 0.000 3.125) 7.024 0.718 ( 3.797 0.000 8.051) 8.902 0.801 ( 7.591 0.000 0.495) 7.608 0.889 ( 0.554 0.000 2.812) 2.866 0.938 ( 1.646 0.000 -7.270) 7.454 0.970 ( -4.827 0.000 3.103) 5.738 1.060 ( 3.801 0.000 3.232) 4.989 1.140 ( -1.422 0.000 -4.482) 4.702 1.190 ( -3.421 0.000 -2.246) 4.092 1.304 ( 5.041 0.000 -5.307) 7.319 1.330 ( -2.792 0.000 1.885) 3.369 1.473 ( 0.033 0.000 -2.672) 2.672 1.474 ( -2.983 0.000 9.177) 9.650 1.611 ( -2.423 0.000 -0.886) 2.579 1.612 ( 1.555 0.000 -2.127) 2.635 1.707 ( -3.344 0.000 3.227) 4.647 1.716 ( 2.042 0.000 2.500) 3.228 1.802 ( 0.558 0.000 -2.679) 2.736 1.914 ( -0.732 0.000 0.209) 0.761 1.966 ( 0.267 0.000 -2.641) 2.654 2.083 ( -5.809 0.000 4.698) 7.471 2.175 ( 0.199 0.000 -2.185) 2.194 2.190 ( 5.082 0.000 -1.706) 5.360 2.304 ( 0.816 0.000 -1.278) 1.516 2.340 ( -0.021 0.000 1.622) 1.622 2.514 ( 0.207 0.000 -1.991) 2.002 2.893 ( 0.374 0.000 -1.035) 1.101 2.923 ( 0.313 0.000 2.102) 2.125 2.974 ( -3.660 0.000 2.838) 4.632 3.041 ( 2.619 0.000 2.651) 3.727 3.078 ( 1.536 0.000 -4.258) 4.526 3.262 ( 0.225 0.000 -4.527) 4.533 3.484 ( -1.336 0.000 3.148) 3.419 3.653 ( 1.987 0.000 -3.905) 4.381 3.875 ( -4.828 0.000 11.405) 12.385 3.959 ( -1.629 0.000 3.734) 4.073 4.063 ( -0.307 0.000 4.696) 4.706 4.154 ( 0.222 0.000 6.528) 6.531 4.251 ( 1.734 0.000 -5.684) 5.943 4.414 ( -0.601 0.000 -0.030) 0.602 4.537 ( -2.010 0.000 3.628) 4.147 4.600 ( 5.383 0.000 -4.294) 6.886 4.783 ( -0.444 0.000 2.843) 2.878 4.813 ( -1.083 0.000 1.955) 2.234 4.984 ( -0.102 0.000 0.957) 0.962 5.162 ( 0.293 0.000 -5.411) 5.419 5.207 ( -3.424 0.000 3.569) 4.945 5.345 ( -0.137 0.000 -0.203) 0.245 5.499 ( -1.951 0.000 3.116) 3.676 5.561 ( -0.101 0.000 2.304) 2.307 5.605 ( 0.180 0.000 -0.117) 0.215 5.815 ( 3.007 0.000 -7.094) 7.705 6.254 ( -3.113 0.000 3.986) 5.057 6.411 ( -0.045 0.000 -0.106) 0.115 6.415 ( 0.176 0.000 -1.032) 1.047 6.563 ( 3.607 0.000 -11.326) 11.887 6.812 ( -0.403 0.000 0.581) 0.707 6.855 ( 1.011 0.000 -1.680) 1.961 6.977 ( 1.737 0.000 0.862) 1.939 7.077 ( 0.019 0.000 -3.977) 3.977 7.484 ( -3.453 0.000 13.637) 14.067 7.611 ( 0.082 0.000 1.338) 1.341 7.694 ( 0.719 0.000 8.457) 8.487 7.835 ( -1.805 0.000 1.042) 2.084 7.959 ( 0.479 0.000 -4.286) 4.313 8.054 ( -0.026 0.000 -2.491) 2.492 8.227 ( -3.584 0.000 4.479) 5.737 8.361 ( 0.648 0.000 -1.737) 1.854 11.487 ( 0.248 0.000 0.135) 0.283 11.497 ( -0.041 0.000 -0.300) 0.302 11.543 ( -0.248 0.000 0.264) 0.363 11.553 ( 0.033 0.000 -0.038) 0.050 14.694 ( 0.279 0.000 0.994) 1.032 14.755 ( -0.197 0.000 -1.284) 1.299 14.862 ( 0.047 0.000 0.146) 0.153 14.906 ( -1.714 0.000 -2.501) 3.032 15.143 ( -0.284 0.000 0.424) 0.510 15.172 ( 0.389 0.000 -0.979) 1.053 15.215 ( -0.389 0.000 0.638) 0.747 15.229 ( 0.148 0.000 -0.158) 0.216 16.052 ( -1.302 0.000 -0.895) 1.580 16.119 ( 1.917 0.000 -1.652) 2.530 16.500 ( 3.930 0.000 15.955) 16.432 16.896 ( -3.494 0.000 -3.579) 5.002 ======================= Grid point 53 (21/56) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( -11.310 0.000 4.546) 12.189 0.651 ( -15.704 0.000 1.228) 15.752 0.886 ( 4.616 0.000 -2.567) 5.282 0.910 ( 2.751 0.000 -0.318) 2.769 1.000 ( 5.252 0.000 5.390) 7.525 1.010 ( -3.294 0.000 5.552) 6.456 1.040 ( -3.914 0.000 -3.599) 5.317 1.090 ( -2.284 0.000 -3.683) 4.333 1.174 ( 5.166 0.000 2.655) 5.808 1.255 ( -4.237 0.000 0.497) 4.266 1.363 ( 2.587 0.000 -1.286) 2.889 1.476 ( 3.178 0.000 -4.887) 5.829 1.486 ( -1.816 0.000 8.795) 8.980 1.576 ( -0.593 0.000 -0.071) 0.597 1.609 ( -1.395 0.000 -1.020) 1.728 1.657 ( -2.363 0.000 0.039) 2.363 1.758 ( 1.132 0.000 1.367) 1.775 1.812 ( 1.888 0.000 -1.963) 2.724 1.883 ( -2.836 0.000 0.809) 2.949 1.933 ( -1.812 0.000 -1.538) 2.376 2.038 ( -1.535 0.000 1.979) 2.505 2.140 ( -2.504 0.000 -1.991) 3.199 2.269 ( 3.742 0.000 -1.223) 3.937 2.314 ( 0.757 0.000 -0.731) 1.052 2.356 ( 0.544 0.000 1.309) 1.418 2.518 ( 1.433 0.000 -1.435) 2.028 2.880 ( -1.008 0.000 -1.374) 1.704 2.925 ( -1.064 0.000 0.213) 1.085 2.947 ( -1.080 0.000 3.477) 3.641 3.081 ( 1.567 0.000 -4.401) 4.671 3.115 ( 3.101 0.000 3.584) 4.739 3.246 ( 1.211 0.000 -4.758) 4.910 3.484 ( -0.627 0.000 2.593) 2.668 3.663 ( 1.552 0.000 -3.849) 4.150 3.899 ( 0.401 0.000 11.109) 11.117 3.958 ( -0.932 0.000 3.777) 3.890 4.082 ( -0.811 0.000 5.989) 6.043 4.190 ( -1.432 0.000 8.412) 8.533 4.253 ( 2.251 0.000 -5.893) 6.308 4.392 ( -0.245 0.000 -4.704) 4.710 4.516 ( -1.915 0.000 1.454) 2.404 4.668 ( 3.293 0.000 -2.346) 4.043 4.792 ( -0.454 0.000 2.862) 2.898 4.841 ( 2.454 0.000 3.932) 4.634 4.999 ( 0.870 0.000 3.610) 3.714 5.147 ( 1.727 0.000 -5.591) 5.852 5.188 ( -0.954 0.000 6.121) 6.195 5.355 ( 1.257 0.000 0.110) 1.261 5.483 ( -1.639 0.000 2.702) 3.160 5.567 ( -0.693 0.000 2.125) 2.235 5.607 ( 0.150 0.000 -0.189) 0.241 5.829 ( 2.939 0.000 -6.746) 7.359 6.231 ( -1.983 0.000 4.349) 4.780 6.412 ( 0.150 0.000 -0.112) 0.187 6.412 ( 0.142 0.000 -0.827) 0.839 6.575 ( 4.818 0.000 -9.907) 11.016 6.807 ( -0.400 0.000 0.149) 0.427 6.860 ( 0.552 0.000 -1.508) 1.606 7.021 ( 1.957 0.000 1.737) 2.616 7.060 ( 1.298 0.000 -5.293) 5.450 7.505 ( -2.667 0.000 12.811) 13.085 7.628 ( 0.940 0.000 1.624) 1.877 7.782 ( 2.355 0.000 13.179) 13.388 7.804 ( -1.810 0.000 -0.220) 1.823 7.936 ( -0.462 0.000 -4.080) 4.106 8.039 ( 0.366 0.000 -3.314) 3.334 8.196 ( -2.664 0.000 3.965) 4.777 8.373 ( 1.395 0.000 -1.083) 1.766 11.493 ( 0.280 0.000 0.108) 0.301 11.495 ( -0.039 0.000 -0.364) 0.366 11.543 ( 0.046 0.000 0.315) 0.318 11.554 ( 0.173 0.000 0.106) 0.203 14.710 ( 0.509 0.000 1.308) 1.403 14.741 ( -0.254 0.000 -1.912) 1.928 14.860 ( -1.960 0.000 -1.347) 2.379 14.864 ( -0.011 0.000 0.401) 0.401 15.142 ( -0.035 0.000 0.363) 0.365 15.175 ( 0.501 0.000 -0.768) 0.917 15.215 ( -0.061 0.000 0.568) 0.571 15.232 ( 0.191 0.000 -0.024) 0.192 16.039 ( 0.253 0.000 -0.508) 0.568 16.180 ( 5.534 0.000 -0.373) 5.547 16.685 ( 5.595 0.000 18.394) 19.226 16.772 ( -6.304 0.000 -6.674) 9.180 ======================= Grid point 54 (22/56) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( -17.259 0.000 0.187) 17.260 0.326 ( -9.535 0.000 10.999) 14.556 0.781 ( -18.240 0.000 20.904) 27.743 0.961 ( -0.383 0.000 -5.425) 5.438 0.962 ( 5.962 0.000 -4.234) 7.313 1.079 ( 0.769 0.000 1.519) 1.702 1.079 ( 0.631 0.000 4.702) 4.744 1.088 ( 5.313 0.000 -6.235) 8.191 1.215 ( -0.211 0.000 0.404) 0.456 1.216 ( -1.505 0.000 -4.525) 4.769 1.375 ( 0.270 0.000 0.005) 0.270 1.488 ( -3.160 0.000 -2.382) 3.957 1.489 ( -2.442 0.000 5.645) 6.151 1.570 ( 0.874 0.000 2.976) 3.102 1.611 ( 3.410 0.000 2.299) 4.112 1.656 ( 3.510 0.000 -5.785) 6.766 1.775 ( 0.354 0.000 0.324) 0.480 1.828 ( -3.955 0.000 1.443) 4.210 1.855 ( 4.095 0.000 -1.519) 4.368 1.904 ( -0.822 0.000 -0.394) 0.912 2.035 ( -0.003 0.000 0.544) 0.544 2.068 ( -3.955 0.000 -1.565) 4.253 2.294 ( -0.480 0.000 -0.355) 0.597 2.319 ( -0.026 0.000 0.282) 0.283 2.371 ( 0.001 0.000 2.842) 2.842 2.542 ( 1.361 0.000 -0.409) 1.421 2.849 ( -1.011 0.000 -1.689) 1.968 2.905 ( -0.768 0.000 -0.946) 1.218 2.958 ( 0.247 0.000 1.894) 1.910 3.083 ( 1.467 0.000 -4.527) 4.759 3.176 ( 1.191 0.000 2.269) 2.562 3.252 ( 2.151 0.000 -3.748) 4.321 3.489 ( -0.217 0.000 1.809) 1.822 3.662 ( 0.903 0.000 -3.919) 4.021 3.968 ( -0.704 0.000 4.421) 4.477 3.990 ( 2.210 0.000 4.922) 5.395 4.134 ( 3.783 0.000 6.628) 7.632 4.190 ( -4.007 0.000 8.097) 9.034 4.264 ( 2.667 0.000 -5.986) 6.554 4.346 ( -0.901 0.000 -8.370) 8.419 4.497 ( -0.537 0.000 0.622) 0.822 4.701 ( 2.217 0.000 -1.161) 2.503 4.797 ( -0.890 0.000 3.038) 3.165 4.869 ( -1.163 0.000 -2.576) 2.826 5.034 ( -1.239 0.000 3.311) 3.535 5.156 ( 2.420 0.000 -4.803) 5.378 5.327 ( 10.520 0.000 11.119) 15.307 5.385 ( 1.535 0.000 0.747) 1.707 5.476 ( -0.740 0.000 2.712) 2.811 5.560 ( -1.459 0.000 2.107) 2.563 5.604 ( -0.281 0.000 -0.934) 0.975 5.841 ( 2.691 0.000 -6.668) 7.190 6.236 ( -0.797 0.000 5.688) 5.743 6.412 ( 0.475 0.000 -0.817) 0.945 6.415 ( 0.258 0.000 0.186) 0.318 6.632 ( 6.527 0.000 -6.036) 8.890 6.802 ( 0.000 0.000 -0.295) 0.295 6.857 ( 0.293 0.000 -1.962) 1.984 7.053 ( 0.015 0.000 2.162) 2.162 7.080 ( 5.168 0.000 -5.636) 7.647 7.540 ( -0.878 0.000 9.882) 9.921 7.671 ( 2.733 0.000 2.063) 3.424 7.764 ( -2.359 0.000 -0.925) 2.534 7.881 ( -4.819 0.000 -0.427) 4.838 7.946 ( 7.479 0.000 9.017) 11.715 8.031 ( 1.016 0.000 -3.601) 3.742 8.181 ( -1.061 0.000 6.215) 6.305 8.392 ( 1.152 0.000 -0.588) 1.293 11.492 ( 0.035 0.000 -0.415) 0.416 11.496 ( 0.045 0.000 -0.180) 0.186 11.548 ( 0.206 0.000 0.541) 0.579 11.562 ( 0.614 0.000 0.432) 0.751 14.722 ( -0.045 0.000 1.098) 1.099 14.731 ( 0.509 0.000 -1.148) 1.255 14.833 ( -0.525 0.000 1.732) 1.810 14.866 ( -0.102 0.000 0.457) 0.468 15.145 ( 0.090 0.000 0.399) 0.409 15.180 ( 0.434 0.000 -0.643) 0.776 15.222 ( 0.535 0.000 0.661) 0.851 15.235 ( 0.070 0.000 0.093) 0.116 16.056 ( 1.394 0.000 1.503) 2.050 16.296 ( 5.757 0.000 0.564) 5.785 16.628 ( -3.723 0.000 -6.159) 7.197 16.893 ( 5.720 0.000 7.501) 9.433 ======================= Grid point 55 (23/56) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 7.620 9.011 11.649) 16.582 0.553 ( -3.462 11.613 11.306) 16.574 0.807 ( -4.055 14.998 10.124) 18.544 0.895 ( -2.571 1.407 -3.700) 4.720 1.028 ( -0.590 -0.376 -2.168) 2.278 1.096 ( 3.309 3.183 -1.163) 4.737 1.112 ( -0.018 0.151 -4.517) 4.520 1.156 ( -1.353 3.117 -3.543) 4.909 1.210 ( -0.274 6.660 0.153) 6.668 1.275 ( 1.078 3.339 2.711) 4.434 1.352 ( -3.928 1.769 -1.558) 4.582 1.458 ( -0.099 0.645 1.586) 1.715 1.498 ( -0.697 1.845 0.635) 2.073 1.628 ( 0.078 0.800 2.187) 2.330 1.644 ( 0.569 -0.063 2.962) 3.017 1.740 ( 2.988 -1.053 -1.097) 3.353 1.762 ( -1.556 0.414 -0.524) 1.693 1.809 ( 1.521 1.798 0.629) 2.438 1.891 ( -2.009 0.321 -3.233) 3.820 1.923 ( -0.859 1.871 -1.468) 2.528 2.010 ( 4.045 -0.534 -1.203) 4.254 2.060 ( -0.397 1.755 -1.200) 2.163 2.258 ( -1.962 -1.583 4.506) 5.163 2.361 ( -0.281 1.350 0.994) 1.700 2.563 ( -0.091 12.768 1.301) 12.835 2.702 ( 1.800 8.245 -6.435) 10.613 2.873 ( 0.551 3.038 -0.697) 3.165 2.906 ( -0.057 1.773 -1.290) 2.193 3.041 ( 0.439 5.025 -0.778) 5.103 3.083 ( 0.103 0.998 -0.993) 1.411 3.186 ( 0.120 1.077 -3.441) 3.608 3.277 ( 1.225 -0.703 -3.758) 4.015 3.526 ( -0.286 2.407 0.703) 2.524 3.641 ( 0.975 -0.672 -3.332) 3.536 3.874 ( -0.588 -5.493 2.195) 5.944 4.000 ( -5.692 -5.045 6.529) 10.025 4.076 ( 0.618 -3.076 4.516) 5.498 4.209 ( 0.037 -1.012 -4.499) 4.611 4.261 ( 3.377 -3.082 -1.263) 4.743 4.312 ( 0.007 0.252 -2.700) 2.712 4.475 ( -3.420 -0.898 5.208) 6.295 4.645 ( -1.872 -1.956 -2.238) 3.513 4.760 ( -0.970 -2.299 3.024) 3.921 4.801 ( -0.587 -0.101 2.965) 3.024 5.039 ( -1.451 2.876 2.372) 4.000 5.198 ( 1.829 0.679 -2.847) 3.451 5.297 ( 0.422 -4.211 7.156) 8.314 5.430 ( -0.265 -0.133 -1.498) 1.527 5.515 ( -0.452 -1.226 3.267) 3.519 5.552 ( -2.178 2.374 2.201) 3.902 5.653 ( 0.408 4.059 -2.040) 4.561 5.798 ( 1.409 -2.411 -5.852) 6.484 6.237 ( -0.313 -0.688 3.404) 3.487 6.504 ( 1.673 4.613 -4.676) 6.778 6.515 ( 1.451 5.405 -4.070) 6.920 6.643 ( 0.475 -1.408 -3.672) 3.962 6.796 ( -0.080 -0.443 0.344) 0.566 6.870 ( 0.409 1.114 -2.248) 2.541 7.031 ( -1.165 -0.749 0.336) 1.426 7.080 ( 2.512 -4.622 -3.378) 6.251 7.510 ( -7.341 -4.344 10.886) 13.830 7.578 ( -0.909 -2.848 11.186) 11.578 7.710 ( -2.720 -1.044 -1.601) 3.325 7.807 ( 0.688 0.037 1.737) 1.869 7.933 ( 1.695 -3.394 -2.155) 4.363 8.061 ( -0.360 0.396 -4.555) 4.586 8.190 ( -0.476 -5.021 7.255) 8.836 8.377 ( 1.648 -2.802 -1.076) 3.424 11.476 ( -0.004 -1.366 -0.315) 1.402 11.477 ( -0.095 -1.272 -0.387) 1.333 11.544 ( 0.065 -1.047 0.665) 1.242 11.551 ( -0.084 -1.555 0.617) 1.675 14.718 ( -0.706 0.074 0.562) 0.905 14.749 ( 1.121 0.353 -0.715) 1.376 14.829 ( 0.661 -1.781 1.780) 2.604 14.855 ( -0.117 -0.896 0.057) 0.906 15.228 ( 0.202 4.284 -0.495) 4.317 15.245 ( 0.022 4.417 -0.467) 4.442 15.305 ( 0.018 5.953 0.603) 5.983 15.456 ( 4.644 12.271 -11.946) 17.745 16.085 ( 1.875 -1.947 3.989) 4.819 16.271 ( -2.998 -2.891 -3.205) 5.255 16.492 ( -16.191 -12.955 9.578) 22.842 16.597 ( 6.245 -5.536 0.110) 8.346 ======================= Grid point 56 (24/56) ======================= q-point: ( 0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -1.410 7.742 11.308) 13.777 0.657 ( 6.868 7.854 9.299) 13.976 0.774 ( -2.352 2.038 -9.114) 9.630 0.930 ( 5.493 11.367 7.331) 14.599 0.988 ( -0.292 3.579 -3.248) 4.842 1.046 ( -1.842 3.770 -4.209) 5.943 1.140 ( -0.578 1.269 0.548) 1.498 1.151 ( 2.309 1.072 -2.699) 3.710 1.207 ( -1.207 3.870 2.536) 4.782 1.274 ( -1.912 3.656 -1.992) 4.581 1.327 ( 2.078 2.859 3.644) 5.076 1.464 ( -0.827 1.904 2.556) 3.293 1.511 ( 1.033 0.467 0.223) 1.156 1.585 ( -1.769 1.552 -1.755) 2.936 1.680 ( -1.373 -1.423 4.284) 4.718 1.711 ( -1.900 0.169 -0.069) 1.908 1.808 ( 1.988 -0.122 -1.023) 2.239 1.822 ( -0.371 0.207 -2.485) 2.521 1.873 ( 2.482 1.003 1.440) 3.040 1.898 ( 0.044 1.558 -0.965) 1.833 2.060 ( 0.877 1.738 -0.250) 1.963 2.090 ( 4.846 -0.622 -2.455) 5.468 2.231 ( -3.470 -1.043 3.039) 4.729 2.362 ( -0.282 1.310 0.630) 1.480 2.550 ( -2.184 12.143 1.236) 12.400 2.689 ( 0.815 8.633 -5.582) 10.313 2.876 ( 0.358 2.115 -1.287) 2.501 2.911 ( 1.216 2.679 -0.145) 2.945 3.039 ( -0.862 3.440 1.937) 4.041 3.081 ( 0.596 1.255 -1.768) 2.249 3.156 ( -0.875 4.001 -4.004) 5.727 3.276 ( 0.891 -1.413 -2.795) 3.257 3.523 ( -0.732 1.947 1.359) 2.484 3.640 ( 1.137 -0.089 -3.687) 3.859 3.873 ( -1.393 -6.657 3.578) 7.685 3.930 ( -5.617 -4.111 5.983) 9.179 4.064 ( -4.894 -1.405 6.006) 7.874 4.186 ( -0.254 1.861 -0.831) 2.054 4.259 ( -0.794 -2.427 -3.246) 4.130 4.351 ( 4.256 -0.809 -0.993) 4.445 4.432 ( -3.114 -3.048 2.700) 5.126 4.619 ( -0.402 -0.117 -0.290) 0.509 4.760 ( -0.960 -1.579 2.617) 3.204 4.819 ( 0.211 -0.161 2.785) 2.798 5.025 ( -1.312 3.182 1.848) 3.906 5.207 ( 1.140 0.610 -3.289) 3.534 5.311 ( -2.842 -2.150 5.247) 6.343 5.398 ( -2.061 -0.109 -1.131) 2.354 5.522 ( -1.067 -0.004 3.753) 3.902 5.542 ( -0.127 2.043 2.267) 3.054 5.652 ( 0.659 4.011 -1.829) 4.457 5.793 ( 1.972 -1.654 -6.245) 6.755 6.245 ( -1.066 -1.389 3.506) 3.919 6.503 ( 2.022 3.666 -6.743) 7.937 6.517 ( 0.047 6.399 -0.792) 6.448 6.599 ( -2.037 -0.488 -3.362) 3.961 6.798 ( -0.068 -0.628 0.712) 0.952 6.862 ( 0.456 1.188 -2.527) 2.829 6.998 ( -1.847 0.454 -0.838) 2.079 7.088 ( 0.443 -3.916 -2.683) 4.768 7.460 ( -5.766 -1.214 13.533) 14.760 7.608 ( -2.624 -2.667 8.032) 8.861 7.648 ( -2.039 0.102 0.391) 2.079 7.832 ( 0.760 -1.113 0.046) 1.349 7.945 ( 1.253 -2.610 -2.647) 3.923 8.042 ( 0.869 -0.277 -3.080) 3.212 8.202 ( -2.244 -6.217 6.146) 9.025 8.389 ( 0.205 -2.020 -1.565) 2.564 11.470 ( -0.172 -1.314 -0.294) 1.358 11.478 ( 0.181 -1.443 -0.134) 1.461 11.545 ( -0.301 -0.991 0.465) 1.135 11.549 ( -0.433 -1.185 0.356) 1.311 14.705 ( -0.826 0.257 0.289) 0.912 14.764 ( 0.738 0.470 -0.400) 0.962 14.853 ( -0.091 -0.971 -0.117) 0.982 14.858 ( 1.274 -3.503 0.746) 3.801 15.222 ( -0.403 4.156 -0.575) 4.214 15.248 ( 0.526 4.625 -0.359) 4.669 15.303 ( -0.522 6.665 0.376) 6.696 15.422 ( -1.024 11.243 -8.533) 14.152 16.132 ( -1.571 -2.990 5.632) 6.567 16.177 ( -4.284 -2.260 -2.773) 5.582 16.286 ( -7.884 -3.128 7.866) 11.568 16.738 ( 6.676 -7.506 2.040) 10.251 ======================= Grid point 57 (25/56) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 4.295 5.293 5.525) 8.774 0.733 ( 3.626 6.414 -3.934) 8.353 0.817 ( 4.756 9.087 6.809) 12.310 0.925 ( -2.120 2.424 -1.258) 3.458 0.986 ( -2.469 2.215 -1.931) 3.838 1.017 ( -0.616 3.214 -3.619) 4.879 1.111 ( -5.423 2.967 5.437) 8.232 1.158 ( 1.334 0.458 -3.670) 3.931 1.216 ( 1.082 1.300 -0.734) 1.844 1.307 ( 4.667 5.920 0.544) 7.558 1.375 ( 0.808 3.365 2.171) 4.085 1.474 ( -0.420 1.957 4.077) 4.541 1.504 ( -0.958 0.958 0.508) 1.447 1.580 ( 1.156 -0.560 -0.721) 1.473 1.672 ( -0.501 0.272 0.319) 0.654 1.692 ( 0.195 1.186 0.814) 1.452 1.766 ( -1.801 2.095 -1.154) 2.993 1.849 ( -2.312 1.912 -0.463) 3.036 1.882 ( 2.938 -1.058 0.178) 3.128 1.955 ( 3.315 0.133 -0.338) 3.335 2.084 ( 1.023 0.231 2.329) 2.554 2.129 ( -1.613 -2.183 0.971) 2.883 2.190 ( 0.412 1.359 -2.187) 2.608 2.353 ( -0.866 1.161 -0.143) 1.455 2.513 ( -2.136 12.370 1.300) 12.620 2.672 ( 0.982 8.823 -5.455) 10.419 2.877 ( 0.331 1.107 -0.329) 1.201 2.933 ( 0.502 1.989 1.067) 2.312 3.042 ( -1.476 2.338 6.073) 6.673 3.083 ( 1.343 1.905 -3.101) 3.880 3.117 ( 0.011 6.675 -5.200) 8.461 3.275 ( 0.743 -0.713 -2.978) 3.151 3.514 ( -1.400 1.699 2.088) 3.034 3.640 ( 1.347 -0.058 -3.713) 3.950 3.854 ( -5.099 -5.580 9.198) 11.905 3.891 ( -1.235 -4.560 2.840) 5.512 4.006 ( -4.343 -0.950 5.848) 7.346 4.193 ( 0.330 1.965 1.870) 2.733 4.231 ( 0.360 -2.921 -4.760) 5.597 4.401 ( -1.259 -1.976 0.183) 2.350 4.428 ( 4.506 -2.391 -0.406) 5.117 4.608 ( -1.148 -0.015 0.789) 1.393 4.760 ( -0.790 -1.085 2.970) 3.259 4.826 ( -0.964 -0.228 1.383) 1.701 5.016 ( -0.757 3.083 1.662) 3.583 5.196 ( -0.171 0.209 -3.712) 3.722 5.278 ( -2.968 1.353 3.219) 4.583 5.358 ( -1.565 -0.368 -0.383) 1.653 5.521 ( -1.305 0.697 3.349) 3.661 5.561 ( 0.424 1.645 2.496) 3.019 5.655 ( 0.714 4.259 -1.299) 4.510 5.795 ( 2.295 -1.178 -6.344) 6.848 6.240 ( -1.657 -1.519 3.250) 3.951 6.497 ( 0.191 3.337 -2.789) 4.353 6.504 ( 0.267 6.820 -3.068) 7.483 6.559 ( 0.305 0.275 -4.584) 4.602 6.800 ( -0.219 -0.837 0.919) 1.262 6.860 ( 0.956 0.976 -2.561) 2.903 6.971 ( -0.255 0.802 -0.926) 1.252 7.076 ( 0.388 -2.231 -3.424) 4.105 7.455 ( -3.935 -1.070 13.518) 14.119 7.591 ( -1.873 -1.976 3.380) 4.340 7.647 ( -0.820 -0.263 5.030) 5.104 7.830 ( -0.494 -2.610 -0.656) 2.736 7.945 ( 0.305 -1.701 -2.438) 2.989 8.043 ( 0.670 -1.181 -2.389) 2.748 8.193 ( -2.294 -5.366 5.298) 7.881 8.371 ( -0.660 -1.322 -2.049) 2.526 11.468 ( 0.046 -1.284 0.015) 1.285 11.480 ( 0.068 -1.506 -0.036) 1.508 11.540 ( -0.423 -0.906 0.149) 1.011 11.543 ( -0.231 -1.018 0.046) 1.045 14.696 ( -0.372 0.510 0.547) 0.836 14.769 ( 0.175 0.663 -0.632) 0.932 14.851 ( -0.020 -0.954 -0.062) 0.956 14.875 ( 0.388 -3.460 -0.423) 3.507 15.212 ( -0.159 4.321 -0.403) 4.343 15.253 ( 0.106 5.459 -0.545) 5.487 15.294 ( -0.427 7.315 -0.119) 7.328 15.356 ( -1.963 8.835 -2.926) 9.512 16.072 ( -3.805 -2.353 1.148) 4.619 16.120 ( -1.546 -0.879 -1.868) 2.579 16.314 ( 2.075 -3.526 10.456) 11.228 16.826 ( 2.078 -8.452 -0.197) 8.706 ======================= Grid point 58 (26/56) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -0.774 7.648 2.223) 8.002 0.791 ( 4.167 4.953 1.382) 6.618 0.864 ( -0.880 6.073 0.994) 6.216 0.896 ( 1.600 1.247 3.503) 4.048 0.947 ( -3.196 0.904 -1.152) 3.515 1.018 ( 0.449 3.929 0.327) 3.969 1.058 ( 1.504 3.002 2.432) 4.146 1.149 ( 0.563 1.002 -4.787) 4.923 1.213 ( -0.231 0.586 -2.774) 2.844 1.347 ( 0.517 3.710 -1.273) 3.957 1.393 ( -1.627 5.316 1.214) 5.690 1.468 ( 0.139 0.099 2.349) 2.355 1.509 ( -1.530 1.983 4.642) 5.275 1.587 ( 0.011 -0.910 -0.545) 1.061 1.658 ( -1.077 2.877 -2.214) 3.787 1.726 ( 2.315 0.375 -0.049) 2.346 1.738 ( -1.889 2.952 1.674) 3.884 1.812 ( -0.705 1.112 -0.454) 1.393 1.909 ( -0.238 -0.217 0.528) 0.619 1.986 ( 0.713 1.067 -2.043) 2.412 2.059 ( -4.844 -1.418 3.825) 6.333 2.141 ( 3.266 -1.855 1.333) 3.986 2.200 ( 0.501 2.350 -1.909) 3.069 2.340 ( 0.199 0.808 -1.093) 1.374 2.499 ( -0.380 12.636 1.696) 12.755 2.664 ( 2.113 8.906 -6.345) 11.137 2.881 ( -0.285 0.256 1.273) 1.329 2.938 ( -0.701 0.733 1.388) 1.719 3.041 ( -1.831 4.709 3.962) 6.421 3.084 ( 1.087 2.123 -4.016) 4.671 3.126 ( 3.128 5.546 -1.881) 6.639 3.267 ( 0.726 0.702 -4.064) 4.188 3.503 ( -1.045 1.550 2.664) 3.254 3.645 ( 1.434 -0.541 -3.498) 3.819 3.824 ( -3.823 -3.176 10.175) 11.324 3.890 ( -1.320 -5.783 3.314) 6.795 3.994 ( -0.742 -2.381 5.368) 5.919 4.212 ( 0.119 1.537 2.964) 3.341 4.217 ( 1.573 -3.399 -6.019) 7.089 4.378 ( -0.531 -2.937 -2.294) 3.765 4.511 ( 2.965 -0.267 3.438) 4.548 4.593 ( -0.477 -1.364 0.643) 1.582 4.764 ( -0.701 -1.121 2.495) 2.824 4.806 ( -1.415 -0.593 0.790) 1.726 5.017 ( -0.341 3.093 1.764) 3.577 5.164 ( -0.684 0.327 -3.271) 3.357 5.250 ( -1.677 2.957 1.381) 3.669 5.346 ( 0.570 -0.005 -0.198) 0.603 5.512 ( -1.745 0.844 3.046) 3.610 5.580 ( -0.061 1.865 2.424) 3.059 5.661 ( 0.598 4.367 -1.019) 4.524 5.800 ( 2.329 -1.280 -6.159) 6.708 6.227 ( -1.587 -0.723 2.870) 3.358 6.488 ( 0.210 4.918 0.032) 4.923 6.497 ( 0.870 5.717 -3.462) 6.740 6.547 ( 2.140 0.228 -7.521) 7.823 6.801 ( -0.345 -0.839 0.894) 1.273 6.863 ( 0.904 0.606 -2.178) 2.434 6.978 ( 1.217 0.096 -0.149) 1.230 7.063 ( 0.723 -1.290 -4.502) 4.739 7.469 ( -3.353 -1.348 13.539) 14.013 7.587 ( -0.730 -2.211 2.979) 3.781 7.666 ( -1.067 -1.368 6.941) 7.155 7.819 ( 0.082 -2.456 -1.029) 2.664 7.925 ( -0.818 -1.888 -2.750) 3.435 8.040 ( 0.918 -1.106 -2.983) 3.311 8.183 ( -2.302 -3.721 5.053) 6.684 8.353 ( 0.257 -1.468 -2.347) 2.780 11.472 ( 0.223 -1.262 0.224) 1.301 11.480 ( -0.004 -1.437 -0.041) 1.437 11.534 ( -0.226 -0.910 0.016) 0.938 11.541 ( -0.045 -1.080 -0.095) 1.086 14.700 ( 0.238 0.618 1.084) 1.270 14.763 ( -0.241 0.699 -1.236) 1.440 14.851 ( -0.007 -0.979 0.141) 0.989 14.867 ( -0.724 -2.294 -0.889) 2.565 15.215 ( 0.602 4.697 0.076) 4.736 15.243 ( -0.447 5.965 -1.225) 6.106 15.292 ( 0.102 7.487 0.176) 7.490 15.326 ( 0.106 7.165 -1.411) 7.304 16.032 ( -1.035 -1.626 -0.464) 1.983 16.106 ( 1.461 -0.987 -1.655) 2.418 16.431 ( 2.519 -5.885 13.888) 15.292 16.807 ( -2.619 -7.889 -3.875) 9.171 ======================= Grid point 59 (27/56) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -10.049 8.311 -0.089) 13.041 0.732 ( -11.876 8.168 1.384) 14.480 0.900 ( 3.797 1.527 -1.973) 4.544 0.939 ( 4.475 1.346 1.333) 4.859 0.998 ( 2.272 1.898 3.594) 4.656 1.028 ( -3.230 2.381 4.387) 5.945 1.090 ( 0.987 3.076 -0.409) 3.256 1.130 ( 1.602 3.977 -6.227) 7.561 1.211 ( 1.003 1.784 -0.005) 2.047 1.308 ( -4.436 4.615 4.489) 7.818 1.379 ( 1.195 2.093 -0.236) 2.421 1.499 ( 2.152 0.969 -3.098) 3.894 1.525 ( -0.829 3.544 8.245) 9.012 1.573 ( -1.225 0.321 -0.902) 1.555 1.620 ( -0.754 0.264 -2.031) 2.182 1.698 ( -2.043 3.777 0.529) 4.327 1.770 ( 2.751 0.276 -1.478) 3.135 1.810 ( 0.017 0.858 -0.653) 1.078 1.891 ( -2.190 0.437 1.833) 2.889 1.962 ( -1.326 2.385 -2.441) 3.662 2.019 ( -1.541 -1.560 2.395) 3.246 2.166 ( -1.937 1.853 -3.387) 4.319 2.213 ( 2.011 -2.018 3.448) 4.472 2.349 ( 0.864 0.518 -0.093) 1.012 2.514 ( 0.789 13.017 1.725) 13.155 2.675 ( 3.297 8.656 -7.000) 11.610 2.880 ( -0.806 0.725 1.588) 1.923 2.929 ( -0.740 0.644 0.547) 1.123 3.033 ( -0.719 5.839 1.514) 6.075 3.084 ( 1.243 1.810 -3.430) 4.072 3.172 ( 2.443 2.955 -1.514) 4.122 3.261 ( 1.696 1.520 -4.433) 4.984 3.510 ( 0.156 2.038 1.891) 2.785 3.647 ( 0.993 -1.124 -3.237) 3.568 3.849 ( 0.308 -2.645 7.737) 8.182 3.891 ( -0.791 -5.749 6.335) 8.591 4.024 ( -0.487 -3.187 6.859) 7.579 4.214 ( 1.915 -3.668 -6.052) 7.331 4.228 ( -0.175 1.418 2.360) 2.759 4.355 ( -0.160 -3.078 -3.480) 4.649 4.524 ( -2.205 1.079 1.468) 2.860 4.635 ( 3.049 -2.658 1.645) 4.367 4.757 ( -1.191 -2.024 2.286) 3.277 4.807 ( 0.210 -1.669 2.661) 3.148 5.026 ( 0.042 2.957 2.430) 3.828 5.145 ( 0.398 0.114 -1.439) 1.497 5.234 ( -0.726 3.256 0.847) 3.442 5.374 ( 2.534 0.560 -0.219) 2.604 5.499 ( -1.521 0.786 2.979) 3.436 5.586 ( -0.851 1.981 2.321) 3.168 5.664 ( 0.371 4.145 -1.137) 4.314 5.806 ( 2.076 -1.702 -5.628) 6.235 6.219 ( -1.046 0.042 2.714) 2.909 6.494 ( 0.817 5.258 -2.296) 5.796 6.506 ( 1.669 7.579 -1.497) 7.904 6.553 ( 3.591 -1.361 -6.779) 7.791 6.798 ( -0.355 -0.660 0.567) 0.940 6.865 ( 0.678 0.379 -1.939) 2.089 7.002 ( 1.285 -1.366 -0.222) 1.888 7.054 ( 1.448 -0.547 -4.417) 4.680 7.492 ( -2.796 -1.404 13.426) 13.786 7.592 ( -1.175 -3.923 3.728) 5.537 7.683 ( -1.357 -2.869 6.597) 7.321 7.826 ( 0.717 -2.306 0.043) 2.415 7.896 ( -0.106 -1.038 -2.441) 2.654 8.047 ( 1.916 -0.224 -2.849) 3.440 8.169 ( -2.290 -2.483 4.717) 5.802 8.353 ( 1.031 -2.249 -2.106) 3.249 11.477 ( 0.150 -1.310 0.065) 1.320 11.480 ( 0.076 -1.271 -0.064) 1.275 11.533 ( 0.037 -0.988 0.144) 0.999 11.541 ( 0.075 -1.219 0.058) 1.223 14.713 ( 0.311 0.478 1.311) 1.430 14.749 ( -0.255 0.691 -1.651) 1.808 14.841 ( -1.293 -1.237 -0.166) 1.797 14.855 ( -0.035 -0.845 0.153) 0.860 15.227 ( 0.130 4.503 -0.649) 4.551 15.236 ( 0.795 5.409 -0.233) 5.472 15.292 ( 0.016 6.373 -0.048) 6.373 15.345 ( 3.138 9.913 -2.467) 10.687 16.023 ( 0.174 -1.313 -0.162) 1.334 16.158 ( 4.924 -1.817 -0.505) 5.273 16.556 ( 1.332 -9.956 15.765) 18.694 16.701 ( -5.223 -6.342 -6.346) 10.381 ======================= Grid point 60 (28/56) ======================= q-point: (-0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( -10.347 10.279 1.287) 14.641 0.584 ( -6.244 13.971 5.839) 16.380 0.895 ( -10.923 9.018 10.624) 17.706 0.933 ( 0.469 0.905 -2.190) 2.416 1.021 ( 2.690 -0.392 2.913) 3.984 1.041 ( 1.740 2.438 -3.439) 4.560 1.124 ( 1.482 2.800 -3.580) 4.780 1.150 ( 2.500 2.124 -0.249) 3.290 1.209 ( 0.308 3.094 1.032) 3.276 1.295 ( -1.431 4.918 -0.679) 5.167 1.385 ( -0.306 0.823 0.693) 1.118 1.494 ( -3.587 1.536 0.104) 3.903 1.531 ( -2.158 2.293 -0.004) 3.149 1.552 ( 2.013 -0.544 3.039) 3.686 1.639 ( 1.529 2.639 3.778) 4.856 1.686 ( 2.289 1.101 -5.134) 5.728 1.797 ( 0.774 1.372 -1.315) 2.052 1.807 ( -1.384 -0.599 0.762) 1.689 1.878 ( 1.936 1.879 0.058) 2.698 1.937 ( -0.275 1.924 -1.589) 2.511 2.007 ( -1.494 -1.807 0.857) 2.496 2.098 ( -2.703 2.077 -2.875) 4.459 2.252 ( -0.077 -2.094 3.781) 4.323 2.360 ( -0.066 0.825 1.035) 1.325 2.543 ( 1.191 13.202 1.408) 13.331 2.695 ( 3.223 8.231 -6.886) 11.205 2.873 ( -0.384 2.325 0.148) 2.361 2.918 ( -0.577 1.093 -0.435) 1.310 3.034 ( 0.301 5.312 0.129) 5.322 3.086 ( 0.693 1.693 -2.245) 2.897 3.191 ( 1.327 0.705 -3.035) 3.387 3.273 ( 1.977 0.742 -4.351) 4.836 3.523 ( 0.263 2.595 0.678) 2.695 3.644 ( 0.789 -1.208 -3.106) 3.425 3.870 ( -0.391 -4.876 2.019) 5.292 3.984 ( 4.382 -4.522 8.718) 10.754 4.039 ( -3.002 -3.777 7.812) 9.182 4.216 ( 2.334 -3.837 -5.761) 7.304 4.232 ( -0.437 1.299 1.205) 1.825 4.333 ( 0.159 -2.380 -4.119) 4.760 4.494 ( -1.658 0.475 1.639) 2.380 4.671 ( 0.737 -1.597 -1.254) 2.160 4.760 ( -0.961 -3.171 4.158) 5.316 4.813 ( -1.533 -2.068 1.700) 3.085 5.042 ( -0.458 2.350 3.065) 3.889 5.169 ( 2.366 -0.946 -0.219) 2.557 5.243 ( 0.549 0.818 4.279) 4.391 5.420 ( 2.195 0.161 -0.874) 2.368 5.500 ( -0.292 -0.071 3.180) 3.195 5.576 ( -1.714 2.015 2.239) 3.465 5.660 ( 0.142 3.998 -1.583) 4.302 5.806 ( 1.484 -2.402 -5.420) 6.111 6.223 ( -0.402 -0.010 2.971) 2.998 6.498 ( 0.969 5.612 -1.869) 5.994 6.515 ( 2.254 5.413 -6.957) 9.098 6.609 ( 4.527 -0.472 -1.946) 4.950 6.796 ( -0.127 -0.472 0.245) 0.547 6.868 ( 0.900 0.664 -1.830) 2.145 7.022 ( 1.600 -2.267 -1.009) 2.952 7.062 ( 1.457 -1.117 -2.879) 3.414 7.528 ( -1.424 -1.584 11.915) 12.104 7.573 ( -4.881 -7.111 7.507) 11.434 7.709 ( 1.539 -1.419 1.632) 2.654 7.820 ( -1.854 -2.807 1.007) 3.511 7.907 ( 1.851 -1.206 -0.551) 2.277 8.074 ( 2.197 0.235 -2.849) 3.605 8.160 ( -1.607 -2.071 5.602) 6.185 8.360 ( 0.977 -3.000 -1.476) 3.484 11.477 ( 0.010 -1.309 -0.272) 1.337 11.481 ( -0.003 -1.261 -0.227) 1.281 11.537 ( 0.220 -1.046 0.487) 1.174 11.545 ( 0.239 -1.424 0.505) 1.530 14.721 ( -0.189 0.202 0.955) 0.995 14.740 ( 0.373 0.679 -1.243) 1.464 14.822 ( -0.817 -0.674 1.152) 1.565 14.856 ( -0.057 -0.843 0.215) 0.872 15.225 ( 0.352 4.347 -0.843) 4.442 15.247 ( 0.131 4.746 0.021) 4.748 15.297 ( 0.440 5.648 0.193) 5.668 15.404 ( 6.182 12.662 -6.942) 15.708 16.039 ( 1.204 -1.402 1.628) 2.462 16.260 ( 5.175 -3.071 0.132) 6.019 16.574 ( -3.409 -5.126 -4.838) 7.829 16.632 ( -4.128 -15.886 12.038) 20.355 ======================= Grid point 61 (29/56) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 3.075 12.528 3.991) 13.503 0.770 ( -4.076 9.014 6.437) 11.802 0.897 ( -1.026 2.678 -3.533) 4.551 0.992 ( -0.142 -1.569 2.015) 2.557 1.088 ( 2.266 0.083 -2.982) 3.746 1.133 ( 1.409 5.168 -2.045) 5.734 1.160 ( 0.078 4.559 -2.223) 5.073 1.231 ( -0.145 3.893 2.292) 4.520 1.346 ( -0.258 2.222 2.062) 3.042 1.385 ( -1.464 5.443 -1.159) 5.754 1.423 ( -1.558 6.391 4.726) 8.100 1.476 ( -0.202 0.092 0.234) 0.323 1.528 ( 0.023 0.305 -0.845) 0.899 1.607 ( 0.991 -0.821 5.358) 5.510 1.663 ( -2.676 0.166 0.564) 2.740 1.718 ( 0.962 -0.032 1.368) 1.673 1.772 ( -2.821 0.737 -1.593) 3.323 1.866 ( 1.813 3.625 0.326) 4.066 1.910 ( -2.125 1.666 -1.241) 2.972 1.941 ( -0.969 -0.343 -0.939) 1.392 2.009 ( 3.415 0.074 -0.774) 3.502 2.100 ( 1.281 0.779 -4.497) 4.741 2.230 ( -1.147 -0.111 4.168) 4.324 2.358 ( -0.048 -1.243 0.536) 1.355 2.778 ( -0.178 5.998 -1.809) 6.268 2.804 ( 1.279 2.845 -2.777) 4.176 2.927 ( 0.874 1.129 -1.983) 2.444 2.948 ( 0.536 1.232 -1.367) 1.917 3.116 ( -1.904 1.121 1.094) 2.465 3.126 ( 0.726 3.265 0.115) 3.347 3.223 ( 1.802 1.089 -3.336) 3.945 3.243 ( -0.037 -0.908 -4.089) 4.189 3.577 ( -0.104 2.279 0.914) 2.457 3.631 ( 0.740 -0.578 -1.301) 1.605 3.812 ( -1.283 0.068 3.262) 3.506 3.915 ( -2.131 -1.999 2.644) 3.941 4.024 ( -1.012 -1.888 4.589) 5.065 4.117 ( 2.950 -7.018 -2.024) 7.877 4.179 ( -1.729 -3.663 0.673) 4.106 4.281 ( 1.332 -1.375 -2.845) 3.429 4.546 ( -2.316 6.265 5.415) 8.599 4.661 ( -1.584 2.023 -0.699) 2.663 4.734 ( 0.578 0.248 1.278) 1.424 4.805 ( -0.462 0.719 1.531) 1.753 5.115 ( -0.649 3.780 1.063) 3.980 5.180 ( 0.914 -0.872 1.229) 1.763 5.283 ( 0.223 0.313 1.074) 1.141 5.390 ( 0.076 -3.585 -1.863) 4.041 5.518 ( -0.684 1.504 3.886) 4.223 5.606 ( -1.213 2.084 2.528) 3.493 5.737 ( 0.995 3.094 -3.259) 4.603 5.763 ( 0.908 0.074 -4.340) 4.435 6.251 ( 0.097 1.975 0.034) 1.978 6.479 ( 2.469 -4.171 -8.801) 10.047 6.630 ( 0.148 4.318 -0.284) 4.330 6.688 ( 0.678 3.238 -2.848) 4.365 6.798 ( -0.072 1.201 0.586) 1.338 6.885 ( 0.379 0.448 -1.201) 1.336 7.006 ( 1.737 -1.183 -1.853) 2.801 7.036 ( 0.394 -0.282 -3.900) 3.930 7.446 ( -4.359 -1.797 11.509) 12.437 7.525 ( -1.473 -2.697 9.372) 9.863 7.677 ( -1.328 -1.990 -1.772) 2.978 7.753 ( 0.599 -4.296 -0.838) 4.418 7.904 ( 0.471 0.510 1.028) 1.240 8.065 ( 0.210 -0.007 -3.759) 3.765 8.102 ( -1.915 -3.148 5.448) 6.577 8.295 ( 1.942 -4.637 -1.705) 5.309 11.445 ( -0.056 -1.338 -0.197) 1.354 11.448 ( -0.126 -1.240 -0.260) 1.273 11.511 ( 0.039 -1.953 0.598) 2.043 11.513 ( 0.063 -1.885 0.463) 1.942 14.729 ( -0.609 0.946 0.470) 1.219 14.760 ( 0.958 0.613 -0.960) 1.489 14.809 ( -0.134 -0.485 1.183) 1.286 14.833 ( -0.217 -1.183 0.040) 1.203 15.333 ( 0.209 5.091 0.005) 5.096 15.348 ( -0.420 4.820 0.102) 4.839 15.449 ( 0.412 7.017 0.792) 7.074 15.619 ( 2.857 3.927 -8.777) 10.031 16.040 ( 0.738 -1.800 3.440) 3.952 16.187 ( -3.310 -5.137 0.198) 6.114 16.297 ( -6.021 -5.252 4.741) 9.290 16.457 ( 4.470 -7.094 -1.643) 8.544 ======================= Grid point 62 (30/56) ======================= q-point: ( 0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -0.709 6.671 2.279) 7.085 0.818 ( 5.619 8.777 5.321) 11.701 0.867 ( 0.087 6.389 -1.513) 6.566 0.986 ( -1.599 -0.727 0.585) 1.851 1.102 ( 1.770 0.353 -5.345) 5.641 1.141 ( -0.387 4.800 -0.280) 4.824 1.160 ( 0.532 1.897 -2.415) 3.117 1.222 ( -1.011 4.584 -0.440) 4.715 1.332 ( -1.530 4.453 1.168) 4.852 1.366 ( 0.682 4.601 0.963) 4.750 1.443 ( -0.417 6.111 5.862) 8.478 1.496 ( 0.952 0.299 1.165) 1.534 1.531 ( 0.893 2.118 0.053) 2.299 1.594 ( -4.401 -0.756 1.951) 4.873 1.652 ( 0.215 -0.186 3.481) 3.492 1.713 ( -1.606 0.352 -0.211) 1.657 1.780 ( 4.267 -1.311 0.258) 4.471 1.853 ( -1.326 1.802 -2.214) 3.148 1.905 ( -0.628 1.805 1.286) 2.304 1.930 ( 1.309 1.729 -0.970) 2.376 2.057 ( 1.777 -1.965 0.303) 2.666 2.108 ( 1.594 0.704 -2.960) 3.435 2.231 ( -0.425 1.503 1.226) 1.986 2.358 ( -0.264 -1.150 0.597) 1.323 2.751 ( -1.207 5.590 -2.027) 6.067 2.804 ( 0.268 3.424 -2.350) 4.161 2.924 ( 0.386 1.189 -2.840) 3.102 2.954 ( 0.435 0.659 -0.291) 0.842 3.088 ( -1.458 1.901 2.121) 3.200 3.146 ( 0.966 3.099 -0.025) 3.246 3.218 ( -0.142 -0.409 -3.810) 3.835 3.247 ( 2.639 0.926 -2.780) 3.943 3.573 ( -0.941 2.440 1.138) 2.852 3.636 ( 0.735 -0.609 -1.754) 1.997 3.799 ( -2.592 0.025 4.230) 4.961 3.886 ( -1.875 -0.013 1.331) 2.300 4.007 ( -3.354 -2.865 4.124) 6.038 4.138 ( -0.071 -6.413 -2.424) 6.856 4.178 ( 1.217 -3.186 1.118) 3.590 4.292 ( 1.471 -2.384 -1.893) 3.381 4.520 ( -3.121 7.837 3.595) 9.169 4.638 ( -0.880 2.099 0.737) 2.392 4.748 ( -0.061 0.722 1.703) 1.851 4.811 ( -0.030 -0.386 1.699) 1.743 5.106 ( -0.880 4.031 0.961) 4.237 5.194 ( 0.180 -1.099 -0.051) 1.115 5.293 ( -0.108 -0.515 1.484) 1.575 5.369 ( -1.027 -2.797 -1.816) 3.489 5.531 ( -0.544 1.337 3.890) 4.149 5.602 ( -0.558 2.680 1.932) 3.350 5.741 ( 1.306 3.590 -2.830) 4.754 5.761 ( 1.729 -0.439 -4.437) 4.782 6.251 ( -0.206 1.846 0.292) 1.880 6.471 ( 2.282 -3.843 -8.342) 9.464 6.631 ( 0.145 4.135 -0.158) 4.141 6.676 ( -0.164 4.245 -2.351) 4.856 6.797 ( -0.425 1.157 0.772) 1.455 6.882 ( 0.292 0.705 -1.539) 1.718 7.009 ( -0.470 0.431 -2.183) 2.274 7.026 ( 1.633 -1.661 -4.180) 4.785 7.437 ( -4.088 -0.778 11.695) 12.414 7.544 ( -2.787 -3.286 9.162) 10.125 7.640 ( -1.176 -0.826 0.106) 1.441 7.757 ( 0.950 -4.899 -3.389) 6.032 7.920 ( 0.212 0.026 1.540) 1.555 8.046 ( 0.323 0.591 -3.537) 3.600 8.093 ( -2.548 -3.896 5.278) 7.037 8.313 ( 0.947 -4.788 -2.022) 5.282 11.441 ( -0.159 -1.205 -0.130) 1.222 11.447 ( 0.030 -1.307 -0.066) 1.309 11.514 ( -0.115 -1.880 0.345) 1.915 11.515 ( -0.170 -1.890 0.306) 1.922 14.720 ( -0.533 1.119 0.288) 1.272 14.775 ( 1.119 0.580 -0.772) 1.478 14.818 ( 0.348 -0.862 0.987) 1.356 14.829 ( -0.179 -1.204 0.061) 1.218 15.327 ( -0.620 5.131 -0.156) 5.170 15.353 ( 0.663 4.790 0.342) 4.848 15.457 ( -0.043 7.134 0.666) 7.165 15.588 ( -0.792 4.647 -7.753) 9.074 16.063 ( -1.728 -3.014 3.933) 5.248 16.112 ( -3.482 -3.586 1.256) 5.154 16.231 ( -2.721 -1.403 2.123) 3.726 16.546 ( 5.022 -9.733 -0.595) 10.968 ======================= Grid point 63 (31/56) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 3.608 5.685 1.145) 6.830 0.896 ( 3.133 7.914 0.636) 8.535 0.938 ( 3.524 3.286 2.298) 5.338 0.947 ( -1.831 2.833 0.400) 3.396 1.082 ( -1.576 3.925 -4.481) 6.162 1.111 ( -0.789 4.047 -0.927) 4.226 1.146 ( -0.132 0.704 -2.971) 3.056 1.202 ( -0.457 2.460 -1.581) 2.960 1.302 ( -3.055 6.548 2.744) 7.729 1.419 ( 2.505 1.388 2.487) 3.793 1.441 ( -2.174 1.637 1.621) 3.168 1.493 ( -1.408 1.026 0.215) 1.755 1.552 ( -2.241 2.273 5.640) 6.480 1.566 ( 1.864 1.324 -0.716) 2.396 1.679 ( 2.076 -0.031 1.221) 2.409 1.709 ( 1.107 0.809 -0.095) 1.374 1.827 ( 0.070 2.692 -2.227) 3.495 1.865 ( 1.373 0.106 1.279) 1.880 1.883 ( 0.103 0.764 0.917) 1.198 1.955 ( 0.704 0.651 0.998) 1.384 2.072 ( -0.959 -2.129 2.090) 3.134 2.112 ( 0.274 0.015 -0.899) 0.940 2.239 ( 1.774 2.922 -2.137) 4.031 2.352 ( -0.758 -0.806 0.217) 1.127 2.724 ( -0.284 6.062 -1.703) 6.303 2.790 ( -0.198 3.422 -2.348) 4.155 2.912 ( -0.067 0.872 -1.972) 2.157 2.955 ( -0.252 0.280 0.313) 0.489 3.094 ( 0.067 2.647 2.894) 3.923 3.161 ( 1.048 2.852 -0.296) 3.053 3.194 ( -0.152 0.770 -3.175) 3.271 3.281 ( 2.768 1.331 -2.832) 4.177 3.556 ( -1.883 2.024 1.740) 3.266 3.636 ( 0.526 -0.728 -1.939) 2.137 3.777 ( -2.349 -0.443 4.568) 5.156 3.865 ( -1.465 1.062 1.239) 2.193 3.968 ( -3.004 -1.414 3.809) 5.053 4.121 ( 0.074 -5.509 -2.615) 6.099 4.198 ( 0.422 -2.785 0.596) 2.879 4.306 ( 0.953 -3.626 -1.823) 4.169 4.504 ( -0.150 6.577 2.748) 7.130 4.627 ( -1.519 2.556 2.312) 3.766 4.754 ( -0.445 0.657 2.027) 2.177 4.812 ( -0.881 -0.967 0.701) 1.484 5.098 ( -0.605 4.153 1.130) 4.346 5.187 ( -0.567 -0.609 -0.784) 1.143 5.295 ( -0.254 -0.303 0.693) 0.798 5.341 ( -0.834 -1.569 -1.124) 2.103 5.539 ( -1.001 1.258 3.478) 3.831 5.609 ( -0.052 2.130 1.879) 2.841 5.748 ( 1.196 3.793 -2.496) 4.695 5.770 ( 2.107 -0.349 -4.590) 5.063 6.249 ( -0.329 2.228 0.781) 2.383 6.465 ( 2.202 -3.124 -7.359) 8.293 6.634 ( 0.230 4.123 -0.105) 4.131 6.658 ( -0.416 5.728 -1.634) 5.971 6.793 ( -0.413 0.707 0.670) 1.058 6.879 ( 0.556 0.776 -2.107) 2.313 6.988 ( -0.096 0.636 -2.522) 2.603 7.030 ( 1.553 -1.834 -4.627) 5.214 7.435 ( -3.642 -0.484 11.630) 12.196 7.541 ( -2.541 -2.579 7.359) 8.201 7.637 ( -0.610 -0.726 2.966) 3.114 7.748 ( 0.560 -4.398 -3.877) 5.890 7.923 ( -0.755 -0.429 0.779) 1.167 8.035 ( 0.540 0.664 -3.239) 3.350 8.082 ( -1.713 -4.704 5.058) 7.116 8.306 ( -0.041 -4.590 -2.614) 5.282 11.440 ( 0.011 -1.196 0.146) 1.205 11.447 ( 0.004 -1.370 0.063) 1.372 11.511 ( -0.262 -1.757 -0.054) 1.777 11.513 ( -0.146 -1.746 0.088) 1.754 14.716 ( -0.155 1.334 0.609) 1.475 14.786 ( 0.467 0.805 -0.863) 1.269 14.826 ( 0.048 -1.398 0.082) 1.402 14.832 ( 0.232 -0.919 0.512) 1.077 15.318 ( -0.189 5.109 0.060) 5.112 15.367 ( 0.422 4.769 0.309) 4.798 15.458 ( 0.385 7.241 -0.470) 7.266 15.518 ( -2.489 5.864 -4.406) 7.746 16.021 ( -2.683 -2.024 1.287) 3.599 16.094 ( -0.836 -1.692 0.611) 1.984 16.236 ( 0.623 -2.818 5.412) 6.134 16.607 ( 2.176 -11.313 -1.905) 11.677 ======================= Grid point 64 (32/56) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 4.695 3.502 2.296) 6.291 0.899 ( -2.414 3.002 -0.125) 3.854 0.953 ( -1.578 5.208 -0.353) 5.453 0.982 ( 4.064 4.774 1.182) 6.380 1.037 ( -3.317 6.684 0.089) 7.462 1.102 ( 0.934 4.273 -2.845) 5.218 1.128 ( 0.493 1.244 -1.756) 2.207 1.191 ( 0.664 1.634 -2.801) 3.310 1.274 ( -0.829 6.631 2.323) 7.075 1.391 ( -3.389 -0.444 1.585) 3.768 1.444 ( -0.185 -2.609 -0.549) 2.673 1.508 ( 2.035 3.612 0.744) 4.212 1.533 ( -2.424 1.134 4.213) 4.991 1.598 ( 0.979 1.726 2.200) 2.963 1.715 ( 0.131 -0.701 -1.551) 1.707 1.728 ( 0.571 3.014 0.189) 3.074 1.816 ( -1.009 2.823 -0.611) 3.060 1.842 ( -0.222 2.054 1.397) 2.494 1.910 ( -0.799 0.489 0.484) 1.055 1.973 ( 0.153 -1.635 2.503) 2.994 2.053 ( -1.524 0.579 -0.252) 1.650 2.126 ( 1.464 -0.519 1.231) 1.982 2.256 ( 0.549 2.449 -1.171) 2.770 2.336 ( -0.353 -0.799 -1.041) 1.359 2.726 ( 1.323 6.646 -1.089) 6.863 2.776 ( 0.564 3.087 -2.895) 4.270 2.902 ( -0.181 0.582 -0.397) 0.727 2.953 ( -0.030 0.469 -0.222) 0.519 3.105 ( -0.456 3.341 1.647) 3.753 3.175 ( 0.006 0.311 -2.029) 2.053 3.191 ( 1.776 3.481 0.245) 3.916 3.303 ( 1.544 1.506 -3.777) 4.350 3.534 ( -1.453 1.447 2.510) 3.242 3.633 ( 0.378 -0.872 -1.647) 1.901 3.774 ( -0.949 -0.620 5.264) 5.385 3.845 ( -1.315 1.096 0.876) 1.923 3.956 ( -0.606 -0.235 3.416) 3.477 4.112 ( 0.834 -5.415 -3.270) 6.380 4.207 ( 0.205 -2.811 1.027) 3.000 4.300 ( -0.070 -3.289 -2.447) 4.100 4.547 ( 2.212 3.698 4.327) 6.107 4.606 ( -2.382 3.038 2.560) 4.632 4.757 ( -0.404 0.526 0.878) 1.101 4.791 ( -1.168 -0.656 0.125) 1.345 5.098 ( -0.160 4.143 1.308) 4.347 5.169 ( -0.756 0.268 -0.867) 1.182 5.294 ( -0.156 0.662 -0.165) 0.700 5.334 ( 0.652 -1.417 -0.419) 1.615 5.535 ( -1.643 1.384 3.193) 3.848 5.618 ( -0.373 1.257 2.204) 2.565 5.752 ( 0.827 3.476 -2.648) 4.448 5.781 ( 1.999 0.215 -4.545) 4.970 6.249 ( -0.277 2.659 1.007) 2.857 6.467 ( 2.609 -2.842 -6.709) 7.740 6.634 ( -0.289 4.550 -0.032) 4.559 6.650 ( 0.737 6.274 -1.676) 6.536 6.791 ( -0.250 0.378 0.488) 0.666 6.877 ( 0.645 0.627 -2.492) 2.650 6.979 ( 0.448 -0.072 -1.945) 1.998 7.031 ( 1.918 -1.518 -5.261) 5.802 7.441 ( -3.334 -0.844 11.550) 12.051 7.539 ( -2.681 -2.183 7.217) 8.002 7.644 ( -0.802 -0.961 3.385) 3.609 7.742 ( 1.185 -3.877 -2.923) 4.997 7.905 ( -1.045 -0.093 -0.279) 1.086 8.031 ( 1.241 0.499 -3.447) 3.698 8.089 ( -1.124 -4.673 5.327) 7.174 8.288 ( 0.138 -4.484 -3.130) 5.470 11.443 ( 0.172 -1.261 0.331) 1.315 11.448 ( -0.009 -1.417 0.103) 1.421 11.506 ( -0.176 -1.661 -0.134) 1.676 11.510 ( -0.105 -1.665 -0.133) 1.674 14.722 ( 0.195 1.404 1.113) 1.802 14.782 ( -0.213 0.966 -1.224) 1.574 14.827 ( -0.043 -1.147 0.333) 1.195 14.834 ( -0.182 -1.008 0.050) 1.025 15.323 ( 0.426 5.049 0.621) 5.105 15.364 ( -0.682 4.929 -0.515) 5.003 15.461 ( -1.348 6.706 -1.909) 7.102 15.478 ( 2.401 6.678 -1.655) 7.287 15.998 ( -0.680 -1.157 0.762) 1.543 16.088 ( 0.649 -0.638 -0.658) 1.123 16.295 ( 0.801 -5.854 8.566) 10.406 16.599 ( -1.061 -10.968 -4.005) 11.724 ======================= Grid point 65 (33/56) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -6.309 9.175 -0.980) 11.178 0.917 ( -6.128 6.931 0.105) 9.253 0.940 ( 0.554 1.372 -0.313) 1.513 0.952 ( 0.491 1.484 2.741) 3.155 1.063 ( 2.567 3.062 -0.272) 4.005 1.110 ( 2.039 5.048 -5.256) 7.567 1.142 ( 1.563 2.287 1.619) 3.208 1.191 ( 1.353 1.951 -3.367) 4.120 1.300 ( 0.764 5.348 2.845) 6.106 1.354 ( -1.812 -0.013 4.074) 4.458 1.456 ( 1.446 0.559 0.720) 1.709 1.493 ( -1.885 0.766 0.702) 2.153 1.564 ( 2.109 -1.370 0.110) 2.517 1.617 ( -2.688 3.186 5.065) 6.559 1.642 ( -4.062 2.834 0.228) 4.958 1.762 ( 2.387 0.646 -0.279) 2.488 1.793 ( -0.960 3.934 -1.156) 4.211 1.845 ( -0.528 0.923 -1.204) 1.606 1.906 ( 0.116 1.629 2.903) 3.331 1.984 ( -0.220 -1.003 1.714) 1.998 2.011 ( -2.135 1.559 -2.449) 3.603 2.157 ( 0.417 -1.902 -0.333) 1.975 2.234 ( -2.008 2.279 0.917) 3.173 2.340 ( 0.946 -1.164 -0.557) 1.600 2.750 ( 1.807 7.273 -1.128) 7.579 2.779 ( 1.784 2.388 -3.235) 4.399 2.904 ( 0.569 0.671 0.052) 0.881 2.951 ( 0.206 0.673 -0.882) 1.128 3.103 ( -0.356 3.447 0.802) 3.556 3.163 ( -0.288 1.489 -1.113) 1.881 3.220 ( 1.221 2.413 -0.821) 2.827 3.290 ( -0.088 0.460 -4.167) 4.193 3.542 ( 0.597 1.199 2.024) 2.427 3.630 ( 0.169 -0.816 -1.200) 1.461 3.804 ( 0.068 -1.593 4.823) 5.080 3.839 ( 0.556 1.563 2.250) 2.795 3.977 ( 0.281 -0.586 3.627) 3.685 4.108 ( 0.778 -5.732 -3.659) 6.845 4.214 ( -0.273 -3.213 1.105) 3.409 4.283 ( 0.075 -2.488 -2.687) 3.663 4.573 ( -2.536 3.349 2.565) 4.922 4.621 ( 2.478 1.969 4.716) 5.680 4.738 ( -1.161 0.083 -0.936) 1.493 4.794 ( 0.441 0.413 1.641) 1.749 5.106 ( 0.074 4.020 1.276) 4.218 5.155 ( -0.409 0.840 -0.133) 0.944 5.286 ( -0.371 1.151 -0.570) 1.337 5.357 ( 1.955 -2.102 -0.524) 2.918 5.521 ( -1.786 1.516 3.284) 4.034 5.619 ( -0.986 0.778 2.423) 2.729 5.749 ( 0.685 3.356 -2.922) 4.502 5.785 ( 1.246 0.284 -4.277) 4.464 6.249 ( -0.227 2.733 0.590) 2.805 6.478 ( 2.916 -3.353 -7.212) 8.471 6.629 ( -0.043 4.744 -0.231) 4.750 6.662 ( 1.597 5.849 -1.580) 6.266 6.790 ( -0.049 0.424 0.364) 0.561 6.875 ( 0.763 0.570 -2.212) 2.408 6.978 ( 0.892 -0.787 -2.361) 2.644 7.039 ( 1.992 -0.967 -4.514) 5.028 7.449 ( -3.303 -1.766 11.815) 12.394 7.523 ( -3.541 -2.239 7.015) 8.171 7.653 ( 0.327 -0.977 1.751) 2.032 7.753 ( 0.911 -3.617 -0.581) 3.775 7.893 ( 0.011 0.451 -0.484) 0.662 8.041 ( 1.965 -0.176 -2.779) 3.408 8.099 ( -1.105 -3.566 4.957) 6.206 8.277 ( 0.657 -4.673 -3.243) 5.725 11.447 ( 0.030 -1.330 0.039) 1.331 11.449 ( 0.142 -1.439 0.208) 1.460 11.504 ( -0.006 -1.635 0.077) 1.637 11.508 ( -0.047 -1.707 -0.072) 1.709 14.732 ( 0.052 1.254 1.246) 1.769 14.767 ( -0.381 0.949 -1.470) 1.791 14.821 ( -0.744 -0.626 0.222) 0.997 14.834 ( 0.022 -1.146 0.351) 1.199 15.334 ( 0.038 5.014 0.272) 5.022 15.349 ( -0.130 4.947 -0.001) 4.948 15.437 ( -0.360 6.692 -0.794) 6.748 15.530 ( 4.689 6.210 -3.694) 8.614 15.997 ( -0.050 -0.667 0.999) 1.203 16.120 ( 3.219 -1.489 -0.199) 3.552 16.350 ( -1.039 -8.384 9.680) 12.849 16.531 ( -2.973 -9.038 -5.414) 10.946 ======================= Grid point 66 (34/56) ======================= q-point: (-0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -4.929 13.790 0.161) 14.646 0.823 ( -5.192 9.062 4.279) 11.286 0.930 ( -0.431 0.892 -3.062) 3.219 0.978 ( -0.045 -1.491 3.460) 3.768 1.073 ( 1.075 0.422 -2.791) 3.020 1.120 ( 2.087 5.923 -4.473) 7.710 1.184 ( -0.601 3.459 -2.248) 4.169 1.198 ( 2.081 3.230 2.822) 4.767 1.317 ( -0.092 3.718 4.897) 6.149 1.386 ( 1.537 2.519 2.785) 4.057 1.441 ( -2.591 4.470 0.879) 5.241 1.514 ( 1.131 -1.430 1.539) 2.385 1.530 ( -3.993 0.305 -0.870) 4.098 1.580 ( -0.498 -0.175 1.711) 1.791 1.656 ( 1.191 2.006 2.870) 3.698 1.743 ( -2.535 2.067 -1.660) 3.668 1.801 ( 0.099 2.017 1.446) 2.483 1.844 ( 1.116 2.071 -1.321) 2.698 1.929 ( 0.641 2.223 1.378) 2.693 1.966 ( -0.636 0.817 -2.888) 3.069 1.980 ( -0.998 -0.380 0.909) 1.403 2.125 ( -0.973 -0.671 -4.711) 4.857 2.225 ( -1.194 0.386 4.346) 4.524 2.352 ( 0.419 -1.290 0.326) 1.395 2.773 ( 1.615 6.791 -1.800) 7.209 2.796 ( 1.665 2.457 -2.857) 4.119 2.918 ( 0.999 0.888 -0.787) 1.552 2.950 ( 0.333 1.017 -1.355) 1.727 3.107 ( 0.374 3.214 0.730) 3.317 3.148 ( -1.104 1.491 -0.184) 1.864 3.222 ( 0.623 1.983 -3.072) 3.709 3.266 ( 0.115 -0.800 -4.012) 4.092 3.565 ( 0.725 1.599 1.097) 2.070 3.627 ( 0.337 -0.640 -1.052) 1.277 3.812 ( -0.751 -0.376 2.498) 2.636 3.898 ( 1.807 -1.861 5.024) 5.654 4.001 ( -0.120 -0.443 4.250) 4.274 4.100 ( 0.883 -6.486 -3.319) 7.339 4.205 ( -1.352 -3.723 0.771) 4.035 4.277 ( 0.993 -1.590 -2.961) 3.505 4.552 ( -1.629 4.706 3.386) 6.022 4.673 ( 0.294 1.159 2.665) 2.921 4.723 ( -0.057 0.107 0.168) 0.207 4.806 ( -0.319 0.910 1.412) 1.710 5.114 ( -0.055 3.706 1.286) 3.923 5.157 ( 0.448 0.400 1.183) 1.326 5.279 ( -0.113 1.080 -0.126) 1.093 5.385 ( 1.470 -3.190 -1.310) 3.749 5.513 ( -1.259 1.553 3.597) 4.115 5.613 ( -1.238 1.062 2.658) 3.119 5.743 ( 0.608 3.228 -3.164) 4.561 5.776 ( 0.585 0.177 -4.242) 4.286 6.249 ( 0.030 2.441 0.104) 2.444 6.483 ( 2.693 -3.963 -8.342) 9.620 6.629 ( 0.153 4.536 -0.333) 4.551 6.682 ( 1.566 4.160 -2.156) 4.940 6.794 ( 0.151 0.824 0.381) 0.920 6.880 ( 0.915 0.534 -1.392) 1.749 6.986 ( 1.656 -0.948 -2.547) 3.183 7.044 ( 1.191 -0.628 -3.709) 3.946 7.455 ( -4.002 -2.676 11.857) 12.797 7.507 ( -2.448 -1.842 7.545) 8.143 7.677 ( 1.655 -1.838 -0.640) 2.555 7.758 ( -0.662 -3.389 0.882) 3.564 7.895 ( 0.279 0.454 -0.031) 0.534 8.065 ( 1.749 -1.039 -1.843) 2.746 8.104 ( -1.337 -2.361 3.985) 4.821 8.276 ( 1.276 -4.647 -2.452) 5.408 11.446 ( -0.024 -1.370 -0.157) 1.379 11.451 ( -0.010 -1.359 -0.093) 1.362 11.506 ( 0.116 -1.745 0.444) 1.804 11.509 ( 0.093 -1.830 0.283) 1.855 14.735 ( -0.442 1.018 0.865) 1.407 14.756 ( 0.181 0.801 -1.274) 1.516 14.811 ( -0.606 -0.413 0.750) 1.049 14.835 ( -0.108 -1.112 0.244) 1.143 15.330 ( 0.056 5.051 -0.402) 5.067 15.354 ( -0.227 4.805 0.746) 4.868 15.437 ( 0.496 6.896 0.000) 6.914 15.591 ( 5.033 4.895 -6.639) 9.663 16.011 ( 0.606 -0.828 2.050) 2.292 16.185 ( 3.013 -3.703 0.340) 4.786 16.357 ( -4.309 -9.072 8.503) 13.160 16.451 ( -1.627 -6.718 -4.953) 8.504 ======================= Grid point 67 (35/56) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -2.170 3.667 -0.065) 4.261 0.910 ( 1.092 4.269 -1.832) 4.773 0.950 ( -0.114 0.534 2.133) 2.201 1.035 ( 1.527 -0.547 -1.678) 2.334 1.055 ( 0.760 6.538 1.141) 6.680 1.186 ( 0.655 -1.119 -3.572) 3.800 1.260 ( -0.545 4.310 0.511) 4.375 1.307 ( -0.180 2.081 0.928) 2.286 1.341 ( 1.666 -0.906 0.033) 1.897 1.398 ( -0.950 -4.168 -1.174) 4.433 1.464 ( 1.042 0.713 4.147) 4.335 1.500 ( 0.756 -2.467 2.211) 3.398 1.527 ( -2.120 3.059 5.130) 6.338 1.576 ( -1.734 -1.662 5.694) 6.180 1.710 ( -1.879 2.075 -1.211) 3.050 1.730 ( 0.118 0.251 -1.881) 1.901 1.815 ( -2.259 4.059 -1.224) 4.804 1.898 ( -0.327 -2.911 -0.963) 3.084 1.959 ( 2.248 3.175 -0.406) 3.912 1.963 ( -2.521 3.487 0.356) 4.318 2.003 ( 0.874 -0.604 -0.002) 1.062 2.062 ( 0.886 -3.720 -1.707) 4.188 2.264 ( 0.214 2.594 1.395) 2.953 2.319 ( 0.167 -2.365 0.559) 2.436 2.858 ( 0.111 3.293 -2.569) 4.178 2.863 ( 0.960 2.638 -1.192) 3.050 2.910 ( 0.798 -2.000 -2.047) 2.971 2.935 ( 0.861 -2.687 -2.188) 3.570 3.146 ( -0.783 1.653 -1.084) 2.126 3.162 ( -0.201 0.561 -0.973) 1.141 3.215 ( 0.201 -0.031 -1.213) 1.230 3.237 ( 0.424 -1.299 -1.484) 2.017 3.609 ( 0.395 0.759 0.038) 0.856 3.619 ( 0.448 -0.364 -0.321) 0.661 3.836 ( -0.939 1.684 3.704) 4.176 3.889 ( -0.361 -2.393 2.124) 3.220 3.982 ( -0.403 -0.931 -0.917) 1.367 4.008 ( 0.760 -2.865 -1.384) 3.271 4.170 ( -1.490 3.276 3.911) 5.315 4.245 ( -0.164 -2.711 1.226) 2.980 4.668 ( -0.765 4.033 5.255) 6.668 4.698 ( -0.865 0.802 2.056) 2.371 4.762 ( 0.461 2.479 -0.557) 2.582 4.813 ( -0.495 -1.034 0.158) 1.157 5.182 ( -0.019 2.607 0.369) 2.633 5.193 ( -0.250 1.745 0.444) 1.818 5.271 ( 0.095 -1.079 -1.027) 1.493 5.302 ( 0.239 -4.160 -1.936) 4.594 5.565 ( -0.759 2.626 3.880) 4.746 5.612 ( -0.716 -1.426 3.413) 3.768 5.777 ( 1.054 1.854 -4.330) 4.826 5.795 ( 1.086 0.701 -3.970) 4.176 6.312 ( 0.649 3.480 -2.527) 4.349 6.390 ( 1.442 -3.968 -5.225) 6.717 6.693 ( 0.383 1.865 -1.210) 2.256 6.715 ( 0.371 -0.246 -1.527) 1.590 6.849 ( 0.535 2.678 -0.767) 2.837 6.886 ( 0.511 -0.712 -1.100) 1.406 7.002 ( 1.575 0.852 -3.087) 3.569 7.026 ( 1.085 -0.943 -4.074) 4.320 7.433 ( -3.244 0.618 10.059) 10.587 7.468 ( -2.520 -2.485 9.115) 9.778 7.643 ( -0.532 -0.640 -1.435) 1.659 7.668 ( -0.067 -3.010 -1.452) 3.342 7.941 ( -0.375 2.701 2.145) 3.469 8.009 ( -0.952 -3.633 2.575) 4.554 8.115 ( 0.450 2.835 -1.686) 3.329 8.195 ( 1.473 -4.539 -1.934) 5.149 11.427 ( -0.006 -0.221 0.056) 0.228 11.431 ( -0.062 -0.433 0.028) 0.438 11.476 ( 0.003 -1.052 0.270) 1.086 11.478 ( 0.006 -1.194 0.186) 1.209 14.753 ( -0.307 1.218 0.144) 1.264 14.769 ( 0.541 -0.033 -0.603) 0.811 14.803 ( -0.150 -0.133 0.671) 0.700 14.810 ( -0.247 -0.832 0.290) 0.915 15.417 ( 0.042 2.428 0.347) 2.453 15.423 ( -0.368 1.889 0.390) 1.964 15.578 ( 0.774 4.874 -0.651) 4.978 15.644 ( 1.482 -1.217 -3.900) 4.346 16.027 ( -0.945 0.834 3.115) 3.360 16.080 ( -3.000 -4.169 3.222) 6.063 16.256 ( -0.260 0.890 -1.180) 1.501 16.323 ( 2.234 -5.165 -2.253) 6.062 ======================= Grid point 68 (36/56) ======================= q-point: ( 0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -0.344 4.485 -0.168) 4.501 0.922 ( 0.418 -1.540 0.182) 1.606 0.977 ( 2.613 4.621 -0.681) 5.352 1.061 ( 2.088 0.900 -1.057) 2.507 1.079 ( 1.223 4.919 0.437) 5.087 1.179 ( 0.702 -0.221 -2.945) 3.035 1.246 ( -1.795 4.321 1.317) 4.861 1.294 ( -1.717 2.346 0.530) 2.955 1.363 ( 0.260 -2.881 -0.739) 2.986 1.381 ( 0.144 -2.456 -0.329) 2.482 1.470 ( -3.222 1.014 1.814) 3.834 1.504 ( 0.860 -0.165 1.383) 1.638 1.563 ( 1.167 -0.165 3.126) 3.341 1.575 ( -0.255 -0.220 3.737) 3.752 1.691 ( -0.540 1.754 2.843) 3.384 1.720 ( -0.728 -0.824 -0.224) 1.122 1.817 ( 2.606 4.953 0.755) 5.647 1.893 ( -0.227 -2.140 -0.401) 2.189 1.905 ( -2.505 3.401 -0.660) 4.275 1.983 ( -0.814 -1.250 0.835) 1.709 2.014 ( 1.731 1.208 -1.180) 2.418 2.078 ( 1.558 -2.845 -2.149) 3.891 2.280 ( 0.687 2.430 0.791) 2.646 2.325 ( 0.042 -1.886 0.867) 2.076 2.837 ( -0.396 3.828 -2.874) 4.803 2.867 ( 0.114 2.861 -1.232) 3.117 2.905 ( 0.198 -2.273 -2.418) 3.325 2.935 ( 0.341 -2.883 -1.600) 3.315 3.131 ( -0.180 2.005 -0.120) 2.016 3.158 ( 0.239 -0.517 -0.896) 1.061 3.219 ( 0.821 0.757 -0.801) 1.374 3.249 ( 1.782 -1.409 -1.499) 2.722 3.608 ( -0.563 0.923 0.127) 1.089 3.621 ( -0.077 -0.503 -0.239) 0.562 3.827 ( -2.245 1.992 3.059) 4.286 3.881 ( -1.606 -2.268 1.457) 3.137 3.977 ( 0.429 0.426 -0.510) 0.791 4.020 ( 1.334 -3.946 -1.879) 4.569 4.166 ( -1.544 3.262 4.280) 5.599 4.247 ( -0.487 -3.029 1.395) 3.371 4.666 ( -2.468 4.868 3.411) 6.436 4.692 ( -1.013 1.916 3.171) 3.841 4.770 ( 0.435 1.151 -0.446) 1.309 4.802 ( -0.771 -1.061 0.305) 1.347 5.181 ( -0.343 2.826 0.301) 2.863 5.191 ( -0.193 0.938 0.445) 1.056 5.267 ( 0.118 -1.483 -1.011) 1.798 5.294 ( 0.124 -3.704 -1.581) 4.030 5.574 ( -0.711 2.494 3.580) 4.421 5.619 ( -0.743 -1.195 3.095) 3.401 5.777 ( 1.685 1.907 -4.274) 4.975 5.796 ( 1.579 0.727 -3.794) 4.173 6.312 ( 0.911 3.556 -2.231) 4.295 6.390 ( 1.795 -3.774 -4.886) 6.429 6.693 ( 0.375 1.847 -1.060) 2.162 6.713 ( 0.402 -0.087 -1.374) 1.435 6.850 ( 0.051 2.815 -0.697) 2.901 6.887 ( 0.320 -0.560 -1.093) 1.269 7.006 ( 0.973 0.122 -3.387) 3.526 7.016 ( 0.615 -0.348 -4.561) 4.616 7.436 ( -2.954 0.907 10.124) 10.585 7.477 ( -2.594 -2.835 9.545) 10.289 7.627 ( -0.212 0.146 -0.691) 0.737 7.664 ( 0.677 -3.405 -2.176) 4.097 7.942 ( -0.899 2.040 2.156) 3.101 8.000 ( -1.518 -3.329 2.256) 4.298 8.107 ( -0.202 3.577 -1.693) 3.962 8.203 ( 0.641 -5.216 -2.127) 5.670 11.427 ( -0.121 -0.132 0.070) 0.192 11.429 ( -0.071 -0.344 0.038) 0.353 11.478 ( 0.027 -1.163 0.260) 1.192 11.478 ( -0.056 -1.216 0.067) 1.219 14.749 ( -0.179 1.563 0.069) 1.575 14.778 ( 0.697 -0.791 -0.562) 1.195 14.805 ( 0.034 -0.093 0.511) 0.520 14.812 ( 0.304 -0.453 0.474) 0.723 15.413 ( -0.544 2.607 0.213) 2.671 15.425 ( 0.126 1.591 0.480) 1.667 15.582 ( 0.033 4.377 -0.678) 4.430 15.632 ( -0.302 -0.264 -3.871) 3.892 16.023 ( -1.844 -0.577 3.187) 3.727 16.043 ( -2.369 -2.441 3.195) 4.666 16.245 ( 0.071 3.013 -1.395) 3.321 16.359 ( 2.625 -7.526 -1.830) 8.178 ======================= Grid point 69 (37/56) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 2.003 3.906 0.841) 4.470 0.928 ( 0.042 -1.648 0.812) 1.837 1.021 ( 2.541 4.113 -1.235) 4.990 1.092 ( 2.219 -1.620 -2.516) 3.725 1.102 ( 1.028 6.759 0.393) 6.849 1.173 ( 0.421 0.668 -2.743) 2.855 1.211 ( -2.784 5.053 1.346) 5.924 1.265 ( -1.057 3.983 -0.301) 4.132 1.344 ( -1.119 -5.027 -0.978) 5.242 1.375 ( -1.553 -4.701 0.178) 4.954 1.439 ( -0.898 4.032 1.175) 4.295 1.512 ( -0.107 -1.814 -0.174) 1.825 1.592 ( 1.316 1.588 2.535) 3.268 1.610 ( -0.486 0.264 1.880) 1.960 1.692 ( -0.967 2.429 3.025) 3.998 1.727 ( 1.693 0.075 1.309) 2.142 1.854 ( -1.062 0.858 -0.027) 1.366 1.876 ( -0.104 -0.286 1.489) 1.519 1.912 ( 2.386 2.374 1.432) 3.658 1.964 ( -1.571 -1.307 0.989) 2.270 2.043 ( 1.878 0.729 -0.464) 2.067 2.085 ( 0.833 -2.220 -1.876) 3.023 2.293 ( 0.416 1.956 -0.151) 2.006 2.327 ( -0.521 -1.470 0.710) 1.714 2.818 ( 0.275 4.436 -2.660) 5.180 2.854 ( -0.275 2.885 -1.833) 3.429 2.895 ( 0.151 -2.024 -1.894) 2.776 2.928 ( 0.013 -3.528 -1.805) 3.963 3.143 ( 1.008 1.664 1.280) 2.329 3.161 ( 0.308 -0.153 0.180) 0.388 3.230 ( 0.783 1.600 -0.741) 1.929 3.275 ( 1.980 -1.946 -1.754) 3.284 3.591 ( -1.590 1.332 0.820) 2.230 3.614 ( -0.568 -1.025 0.076) 1.175 3.803 ( -1.610 2.175 1.783) 3.241 3.856 ( -1.409 -2.324 0.243) 2.728 3.989 ( 0.821 1.495 -0.008) 1.705 4.028 ( 0.786 -3.066 -1.931) 3.708 4.163 ( -1.610 2.412 4.104) 5.025 4.245 ( -0.592 -3.500 1.300) 3.781 4.643 ( -1.534 5.436 2.320) 6.106 4.687 ( -1.969 1.540 3.949) 4.674 4.771 ( 0.193 0.595 -0.704) 0.942 4.790 ( -0.758 -1.162 0.129) 1.393 5.176 ( -0.335 2.935 0.493) 2.995 5.190 ( -0.190 0.960 0.358) 1.042 5.267 ( 0.565 -1.623 -0.923) 1.951 5.288 ( 0.082 -3.047 -1.010) 3.211 5.579 ( -0.974 2.338 3.114) 4.014 5.621 ( -0.864 -1.124 2.717) 3.065 5.785 ( 1.894 1.792 -4.171) 4.919 5.804 ( 1.668 0.704 -3.710) 4.128 6.318 ( 0.898 3.825 -1.528) 4.216 6.396 ( 1.764 -3.474 -4.211) 5.737 6.695 ( 0.453 1.775 -0.817) 2.006 6.713 ( 0.342 0.125 -1.017) 1.080 6.844 ( -0.255 3.067 -0.699) 3.156 6.884 ( 0.194 -0.633 -1.212) 1.381 6.995 ( 0.282 0.210 -3.840) 3.856 7.004 ( 1.352 -0.672 -5.225) 5.439 7.443 ( -2.886 1.294 9.969) 10.459 7.486 ( -2.565 -2.534 9.416) 10.083 7.628 ( 0.163 0.358 0.565) 0.688 7.665 ( 0.922 -3.137 -2.172) 3.926 7.934 ( -1.216 1.586 1.766) 2.667 7.987 ( -1.181 -3.415 2.229) 4.246 8.092 ( -0.159 3.858 -2.034) 4.365 8.195 ( 0.059 -5.506 -2.630) 6.102 11.425 ( -0.088 -0.149 0.088) 0.194 11.429 ( -0.081 -0.421 0.085) 0.437 11.477 ( -0.078 -1.040 -0.039) 1.044 11.479 ( -0.005 -1.156 0.126) 1.163 14.749 ( 0.055 1.752 0.409) 1.800 14.785 ( 0.367 -1.410 -0.247) 1.478 14.810 ( 0.170 0.419 0.100) 0.463 14.820 ( 0.242 -0.412 0.264) 0.546 15.407 ( -0.267 2.900 0.328) 2.931 15.429 ( 0.032 0.926 0.428) 1.021 15.574 ( -0.079 3.402 -1.240) 3.622 15.595 ( -1.236 1.420 -3.126) 3.649 16.002 ( -1.583 0.537 2.616) 3.104 16.042 ( -0.662 -2.834 3.967) 4.920 16.243 ( 0.410 3.818 -0.983) 3.964 16.384 ( 1.424 -9.143 -2.371) 9.552 ======================= Grid point 70 (38/56) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 1.661 1.726 1.899) 3.056 0.935 ( 0.099 0.376 1.587) 1.634 1.046 ( 1.006 3.046 -1.894) 3.726 1.098 ( -0.889 -0.097 -1.905) 2.104 1.109 ( 0.118 5.006 -1.694) 5.286 1.177 ( 2.112 0.342 -3.240) 3.883 1.180 ( -0.971 5.186 2.725) 5.938 1.259 ( 1.117 5.727 -2.255) 6.255 1.318 ( -1.543 -5.622 0.649) 5.866 1.357 ( -0.547 -3.643 1.705) 4.060 1.417 ( -2.326 4.484 1.138) 5.178 1.507 ( 0.031 -3.028 -2.258) 3.777 1.577 ( -2.140 2.416 0.609) 3.285 1.627 ( 0.598 -1.084 1.090) 1.649 1.711 ( -0.081 2.488 4.338) 5.002 1.767 ( 0.466 -0.662 3.103) 3.207 1.844 ( -0.125 0.997 0.712) 1.232 1.866 ( -1.069 -0.627 0.471) 1.326 1.943 ( -0.080 2.034 -0.858) 2.209 1.960 ( 1.048 0.251 1.603) 1.932 2.065 ( 0.184 0.814 -0.218) 0.862 2.098 ( 0.898 -1.929 0.824) 2.282 2.292 ( -0.539 1.014 -0.190) 1.163 2.313 ( -0.866 -1.199 -0.311) 1.511 2.818 ( 1.245 4.401 -2.139) 5.049 2.843 ( 0.405 2.779 -2.160) 3.543 2.889 ( 0.278 -1.565 -1.536) 2.210 2.920 ( 0.572 -4.011 -2.288) 4.654 3.169 ( 0.058 1.360 1.128) 1.768 3.173 ( 1.049 0.996 1.701) 2.233 3.235 ( 0.242 1.613 -0.711) 1.779 3.289 ( 0.649 -2.509 -2.378) 3.517 3.570 ( -1.090 1.822 1.388) 2.536 3.606 ( -0.409 -1.557 0.355) 1.648 3.796 ( -0.260 2.005 1.420) 2.471 3.841 ( -0.079 -1.811 -0.484) 1.876 4.001 ( 0.397 1.637 0.160) 1.692 4.028 ( 0.426 -2.148 -1.824) 2.850 4.160 ( -1.151 1.612 3.911) 4.384 4.239 ( -0.735 -3.608 0.960) 3.805 4.642 ( -0.586 4.108 3.550) 5.461 4.670 ( -1.852 1.650 2.803) 3.743 4.767 ( -0.311 0.415 -0.952) 1.084 4.783 ( 0.399 -0.561 -0.071) 0.692 5.176 ( -0.035 2.973 0.637) 3.040 5.188 ( -0.185 1.497 0.371) 1.553 5.275 ( 0.728 -1.718 -0.822) 2.039 5.287 ( 0.521 -2.599 -0.768) 2.760 5.575 ( -1.422 2.370 2.979) 4.064 5.619 ( -1.141 -1.295 2.682) 3.189 5.793 ( 1.604 1.630 -4.146) 4.735 5.810 ( 1.379 0.632 -3.846) 4.135 6.324 ( 0.580 3.972 -1.141) 4.173 6.402 ( 1.503 -3.362 -3.813) 5.301 6.698 ( 0.268 1.687 -0.640) 1.824 6.714 ( 0.360 0.270 -0.889) 0.997 6.836 ( 0.001 3.152 -0.798) 3.251 6.881 ( 0.251 -0.748 -1.374) 1.585 6.981 ( 0.822 0.557 -4.172) 4.289 7.002 ( 1.890 -1.246 -5.231) 5.700 7.446 ( -3.184 1.408 9.770) 10.371 7.490 ( -3.166 -2.425 9.206) 10.033 7.636 ( 0.287 0.596 0.844) 1.072 7.672 ( 1.027 -2.668 -1.450) 3.206 7.923 ( -0.814 1.894 1.263) 2.417 7.985 ( -0.635 -3.867 2.281) 4.535 8.084 ( 0.671 3.488 -2.002) 4.077 8.180 ( 0.329 -5.297 -3.077) 6.134 11.425 ( 0.038 -0.319 0.156) 0.357 11.428 ( -0.055 -0.478 0.055) 0.485 11.476 ( -0.073 -0.855 -0.011) 0.858 11.479 ( -0.059 -1.080 -0.012) 1.081 14.756 ( 0.189 1.732 0.853) 1.940 14.789 ( 0.081 -1.041 -0.132) 1.053 14.810 ( -0.124 0.249 -0.050) 0.282 14.820 ( -0.276 -0.477 -0.099) 0.560 15.409 ( 0.154 2.770 0.682) 2.857 15.429 ( -0.317 1.035 0.173) 1.096 15.561 ( -0.557 2.818 -2.031) 3.518 15.573 ( 1.214 1.936 -2.239) 3.199 16.001 ( -0.453 1.670 2.886) 3.365 16.058 ( -0.141 -2.807 3.727) 4.667 16.247 ( 0.440 2.564 -0.185) 2.608 16.380 ( -0.007 -9.057 -3.281) 9.633 ======================= Grid point 71 (39/56) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -0.689 1.492 2.419) 2.925 0.945 ( -0.522 0.024 0.796) 0.952 1.019 ( -3.117 3.086 -2.514) 5.056 1.059 ( -1.008 4.551 -1.666) 4.950 1.077 ( -1.834 2.982 -2.852) 4.516 1.199 ( 1.930 -0.716 -3.052) 3.682 1.215 ( 2.147 3.765 2.350) 4.930 1.273 ( 2.371 5.678 -4.140) 7.416 1.303 ( -0.760 -2.666 1.696) 3.250 1.371 ( 0.431 -0.571 2.989) 3.074 1.404 ( 0.155 -0.839 3.631) 3.730 1.477 ( -1.621 -4.442 -2.050) 5.154 1.562 ( -1.045 2.411 2.505) 3.630 1.617 ( -2.502 -2.202 1.899) 3.836 1.726 ( -0.743 3.979 3.382) 5.275 1.782 ( -0.337 -0.684 1.657) 1.824 1.848 ( -0.488 1.231 0.639) 1.470 1.854 ( 1.109 0.650 -0.190) 1.300 1.956 ( 1.250 2.377 -0.295) 2.702 1.982 ( 0.800 0.154 0.412) 0.913 2.039 ( -2.488 1.880 -0.848) 3.231 2.102 ( -1.393 -3.301 0.553) 3.625 2.271 ( -1.230 1.487 0.232) 1.944 2.307 ( 0.191 -1.815 -0.124) 1.829 2.834 ( 1.440 3.625 -1.553) 4.199 2.845 ( 1.415 2.818 -2.440) 3.987 2.891 ( 0.920 -1.674 -1.443) 2.394 2.922 ( 1.152 -3.556 -2.476) 4.483 3.173 ( -0.378 2.543 0.893) 2.721 3.189 ( -0.135 1.450 0.222) 1.473 3.236 ( 0.201 -0.166 -0.018) 0.261 3.269 ( -1.034 -2.208 -2.619) 3.578 3.574 ( 0.607 1.637 1.078) 2.051 3.605 ( 0.150 -1.373 0.227) 1.400 3.807 ( 0.342 1.444 1.841) 2.364 3.848 ( 0.910 -1.589 -0.012) 1.831 4.005 ( -0.017 1.109 0.244) 1.136 4.019 ( -0.201 -1.844 -1.819) 2.598 4.167 ( -0.763 1.293 3.825) 4.109 4.234 ( -0.342 -3.109 1.016) 3.289 4.647 ( -1.471 2.993 3.920) 5.147 4.670 ( 0.140 1.081 2.528) 2.753 4.758 ( 0.157 1.957 -1.007) 2.207 4.798 ( 0.936 -0.938 0.324) 1.364 5.180 ( 0.024 2.885 0.370) 2.909 5.188 ( -0.072 2.063 0.611) 2.153 5.278 ( 0.252 -1.291 -0.991) 1.647 5.298 ( 1.023 -3.079 -1.058) 3.413 5.565 ( -1.583 2.522 3.230) 4.393 5.612 ( -1.330 -1.504 2.852) 3.488 5.794 ( 1.146 1.537 -4.091) 4.518 5.809 ( 1.007 0.586 -3.968) 4.135 6.324 ( 0.249 3.933 -1.484) 4.211 6.404 ( 1.181 -3.619 -4.091) 5.588 6.696 ( 0.131 1.789 -0.941) 2.026 6.716 ( 0.412 -0.022 -0.919) 1.008 6.836 ( 0.500 3.023 -0.954) 3.209 6.879 ( 0.474 -0.771 -1.336) 1.614 6.978 ( 1.552 1.034 -4.016) 4.427 7.011 ( 2.207 -1.641 -4.567) 5.332 7.443 ( -3.504 1.036 9.676) 10.343 7.479 ( -3.664 -2.090 8.530) 9.516 7.645 ( 0.376 0.660 0.075) 0.763 7.684 ( 0.617 -2.820 -0.171) 2.892 7.922 ( -0.120 2.396 1.283) 2.721 7.991 ( -0.201 -3.862 2.345) 4.522 8.093 ( 1.447 2.615 -1.604) 3.392 8.173 ( 0.974 -4.706 -3.144) 5.743 11.427 ( -0.010 -0.455 0.015) 0.455 11.428 ( 0.105 -0.511 0.159) 0.546 11.475 ( -0.047 -0.813 0.129) 0.825 11.477 ( -0.082 -0.998 -0.041) 1.002 14.762 ( -0.130 1.471 0.815) 1.687 14.782 ( -0.500 0.073 -0.776) 0.926 14.810 ( -0.117 -0.508 0.277) 0.591 14.812 ( -0.432 -0.582 0.210) 0.754 15.416 ( -0.022 2.368 0.544) 2.430 15.423 ( -0.169 1.719 0.311) 1.755 15.553 ( 0.687 3.929 -1.539) 4.276 15.595 ( 2.645 0.195 -2.723) 3.801 16.013 ( -0.350 2.299 2.956) 3.761 16.080 ( 0.227 -3.141 3.404) 4.638 16.255 ( 0.238 0.591 0.448) 0.779 16.351 ( -0.710 -7.362 -3.788) 8.310 ======================= Grid point 72 (40/56) ======================= q-point: (-0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -1.645 2.174 0.016) 2.726 0.937 ( -3.108 6.603 -2.553) 7.732 0.944 ( -0.634 -1.198 2.463) 2.811 1.036 ( -0.390 -0.597 -2.770) 2.860 1.045 ( -0.219 7.211 0.420) 7.227 1.197 ( 0.516 -1.921 -3.594) 4.108 1.258 ( 1.074 3.999 0.099) 4.142 1.294 ( 1.446 5.830 -1.113) 6.109 1.310 ( 1.051 -2.176 0.877) 2.571 1.407 ( 1.200 -1.690 1.902) 2.813 1.437 ( -0.677 -3.303 0.211) 3.378 1.454 ( 0.840 -2.836 5.131) 5.922 1.551 ( -3.019 1.789 5.422) 6.458 1.582 ( -2.374 -0.418 3.562) 4.301 1.727 ( -0.215 3.348 0.063) 3.356 1.763 ( -1.285 -0.064 -2.280) 2.618 1.858 ( -0.679 2.319 0.984) 2.609 1.886 ( 2.352 0.700 -0.261) 2.468 1.952 ( -1.531 1.282 -0.771) 2.141 1.985 ( 0.178 -0.396 -1.472) 1.534 1.997 ( -1.467 2.840 1.321) 3.459 2.071 ( -0.911 -3.629 -1.326) 3.969 2.260 ( -0.583 2.318 1.267) 2.705 2.312 ( 0.299 -2.409 0.266) 2.442 2.849 ( 1.299 3.025 -1.440) 3.593 2.859 ( 1.326 2.819 -2.318) 3.883 2.902 ( 1.206 -1.877 -1.606) 2.749 2.930 ( 1.225 -2.903 -2.484) 4.012 3.164 ( -0.584 2.202 -0.678) 2.377 3.178 ( -0.811 1.381 -0.426) 1.657 3.229 ( -0.742 -0.709 -1.572) 1.878 3.243 ( -0.127 -1.507 -1.141) 1.894 3.595 ( 0.981 1.035 0.430) 1.490 3.612 ( 0.465 -0.730 -0.124) 0.874 3.824 ( 0.019 1.330 2.667) 2.980 3.871 ( 0.987 -2.319 1.458) 2.911 3.999 ( -0.703 -0.908 -1.031) 1.543 4.007 ( 0.098 -1.126 -0.582) 1.271 4.172 ( -1.135 2.151 3.684) 4.415 4.239 ( 0.039 -2.685 1.138) 2.917 4.651 ( -0.568 3.719 3.953) 5.457 4.689 ( 0.040 -0.145 2.888) 2.892 4.760 ( 0.368 2.920 -0.573) 2.998 4.813 ( 0.374 -1.221 0.347) 1.324 5.181 ( -0.090 2.853 0.277) 2.868 5.192 ( -0.022 2.126 0.596) 2.208 5.275 ( 0.176 -0.930 -1.119) 1.466 5.305 ( 0.583 -3.849 -1.642) 4.225 5.559 ( -1.183 2.618 3.664) 4.656 5.608 ( -1.032 -1.556 3.199) 3.704 5.787 ( 0.788 1.622 -4.176) 4.549 5.801 ( 0.834 0.653 -3.995) 4.133 6.317 ( 0.307 3.711 -2.168) 4.309 6.398 ( 1.092 -3.926 -4.827) 6.317 6.693 ( 0.307 1.869 -1.241) 2.264 6.717 ( 0.370 -0.295 -1.233) 1.320 6.842 ( 0.735 2.792 -0.918) 3.030 6.882 ( 0.616 -0.809 -1.178) 1.556 6.989 ( 1.911 1.269 -3.396) 4.098 7.024 ( 1.835 -1.518 -4.066) 4.712 7.436 ( -3.505 0.634 9.823) 10.449 7.466 ( -3.078 -1.927 8.403) 9.154 7.650 ( 0.403 -0.111 -0.954) 1.042 7.683 ( -0.641 -3.091 -0.291) 3.170 7.931 ( 0.050 2.818 1.787) 3.337 8.003 ( -0.168 -3.756 2.662) 4.607 8.110 ( 1.260 2.212 -1.669) 3.044 8.179 ( 1.524 -4.201 -2.497) 5.119 11.427 ( 0.011 -0.341 -0.010) 0.341 11.430 ( 0.059 -0.578 0.124) 0.594 11.475 ( -0.060 -0.912 0.179) 0.931 11.477 ( 0.015 -1.026 0.146) 1.036 14.759 ( -0.490 1.113 0.368) 1.271 14.770 ( -0.167 0.266 -0.794) 0.854 14.804 ( -0.364 -0.132 0.411) 0.565 14.812 ( -0.206 -0.912 0.509) 1.064 15.415 ( -0.028 2.562 0.136) 2.566 15.426 ( -0.162 1.631 0.664) 1.768 15.564 ( 1.226 4.759 -1.026) 5.020 15.627 ( 2.671 -0.998 -3.357) 4.404 16.022 ( -0.503 2.131 2.892) 3.627 16.097 ( -0.905 -4.551 3.454) 5.785 16.260 ( 0.182 -0.138 -0.059) 0.236 16.320 ( -0.065 -5.115 -3.416) 6.151 ======================= Grid point 91 (41/56) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 2.453 0.000 -11.122) 11.389 0.623 ( -2.453 0.000 11.122) 11.389 0.718 ( -8.268 0.000 -13.076) 15.471 0.718 ( 8.268 0.000 13.076) 15.471 0.931 ( 5.819 0.000 -7.341) 9.368 0.931 ( -5.819 0.000 7.341) 9.368 1.105 ( -2.617 0.000 0.073) 2.618 1.105 ( 2.617 0.000 -0.073) 2.618 1.272 ( -4.625 0.000 -3.371) 5.723 1.272 ( 4.625 0.000 3.371) 5.723 1.396 ( 4.631 0.000 -10.322) 11.313 1.396 ( -4.631 0.000 10.322) 11.313 1.531 ( 0.752 0.000 -3.775) 3.849 1.531 ( -0.752 0.000 3.775) 3.849 1.695 ( -2.727 0.000 -0.537) 2.780 1.695 ( 2.727 0.000 0.537) 2.780 1.819 ( -0.020 0.000 -2.254) 2.254 1.819 ( 0.020 0.000 2.254) 2.254 1.831 ( -0.212 0.000 -4.336) 4.341 1.831 ( 0.212 0.000 4.336) 4.341 2.034 ( -0.159 0.000 -0.335) 0.371 2.034 ( 0.159 0.000 0.335) 0.371 2.320 ( 0.446 0.000 -0.860) 0.968 2.320 ( -0.446 0.000 0.860) 0.968 2.495 ( 1.336 0.000 -5.362) 5.526 2.495 ( -1.336 0.000 5.362) 5.526 2.843 ( -0.252 0.000 -1.926) 1.943 2.843 ( 0.252 0.000 1.926) 1.943 2.995 ( 0.986 0.000 -2.894) 3.057 2.995 ( -0.986 0.000 2.894) 3.057 3.221 ( 2.419 0.000 -2.514) 3.489 3.221 ( -2.419 0.000 2.514) 3.489 3.560 ( 0.682 0.000 -4.280) 4.334 3.560 ( -0.682 0.000 4.280) 4.334 4.087 ( -1.053 0.000 -3.196) 3.365 4.087 ( 1.053 0.000 3.196) 3.365 4.135 ( 0.735 0.000 -3.838) 3.908 4.135 ( -0.735 0.000 3.838) 3.908 4.250 ( 5.238 0.000 -2.976) 6.025 4.250 ( -5.238 0.000 2.976) 6.025 4.602 ( -2.190 0.000 -5.848) 6.245 4.602 ( 2.190 0.000 5.848) 6.245 4.839 ( 1.200 0.000 -0.584) 1.335 4.839 ( -1.200 0.000 0.584) 1.335 5.084 ( 3.310 0.000 -4.583) 5.653 5.084 ( -3.310 0.000 4.583) 5.653 5.428 ( -0.485 0.000 -1.502) 1.579 5.428 ( 0.485 0.000 1.502) 1.579 5.566 ( 0.979 0.000 -2.150) 2.363 5.566 ( -0.979 0.000 2.150) 2.363 5.642 ( 1.711 0.000 -9.095) 9.254 5.642 ( -1.711 0.000 9.095) 9.254 6.380 ( 0.476 0.000 -2.688) 2.730 6.380 ( -0.476 0.000 2.688) 2.730 6.500 ( 0.756 0.000 -8.266) 8.301 6.500 ( -0.756 0.000 8.266) 8.301 6.808 ( -0.210 0.000 -1.137) 1.156 6.808 ( 0.210 0.000 1.137) 1.156 7.079 ( 3.690 0.000 -2.343) 4.371 7.079 ( -3.690 0.000 2.343) 4.371 7.664 ( -0.876 0.000 -3.697) 3.799 7.664 ( 0.876 0.000 3.697) 3.799 7.829 ( -7.080 0.000 -2.526) 7.517 7.829 ( 7.080 0.000 2.526) 7.517 7.938 ( 0.596 0.000 -3.767) 3.814 7.938 ( -0.596 0.000 3.767) 3.814 8.369 ( -0.334 0.000 -2.747) 2.767 8.369 ( 0.334 0.000 2.747) 2.767 11.488 ( -0.299 0.000 0.020) 0.299 11.488 ( 0.299 0.000 -0.020) 0.299 11.568 ( -0.043 0.000 -0.447) 0.449 11.568 ( 0.043 0.000 0.447) 0.449 14.734 ( 1.325 0.000 -0.789) 1.542 14.734 ( -1.325 0.000 0.789) 1.542 14.874 ( 1.148 0.000 -0.558) 1.276 14.874 ( -1.148 0.000 0.558) 1.276 15.163 ( 0.090 0.000 -0.898) 0.903 15.163 ( -0.090 0.000 0.898) 0.903 15.237 ( 0.275 0.000 -0.115) 0.298 15.237 ( -0.275 0.000 0.115) 0.298 16.211 ( -4.139 0.000 -5.335) 6.752 16.211 ( 4.139 0.000 5.335) 6.752 16.690 ( -14.112 0.000 -1.805) 14.227 16.690 ( 14.112 0.000 1.805) 14.227 ======================= Grid point 93 (42/56) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 0.313 0.000 -13.095) 13.099 0.597 ( 4.816 0.000 -13.777) 14.594 0.743 ( 2.034 0.000 12.959) 13.118 0.811 ( -4.846 0.000 10.307) 11.390 0.996 ( 1.067 0.000 -2.827) 3.022 1.045 ( 9.084 0.000 6.771) 11.330 1.059 ( 0.116 0.000 -2.488) 2.491 1.141 ( 1.804 0.000 0.192) 1.814 1.170 ( -4.195 0.000 -2.439) 4.852 1.333 ( -3.032 0.000 6.042) 6.760 1.388 ( -0.655 0.000 6.673) 6.705 1.409 ( 4.561 0.000 -13.498) 14.247 1.518 ( -2.136 0.000 4.552) 5.028 1.519 ( -0.109 0.000 0.496) 0.508 1.653 ( -0.464 0.000 -3.326) 3.358 1.722 ( 1.388 0.000 -6.739) 6.880 1.783 ( -0.065 0.000 -0.979) 0.982 1.794 ( -3.091 0.000 4.053) 5.097 1.852 ( 2.365 0.000 -1.120) 2.616 1.887 ( 1.821 0.000 1.601) 2.425 2.051 ( 1.891 0.000 -1.443) 2.379 2.052 ( 2.378 0.000 0.307) 2.398 2.307 ( -1.922 0.000 1.820) 2.647 2.315 ( -0.607 0.000 -0.582) 0.841 2.476 ( 0.431 0.000 -5.828) 5.843 2.483 ( -3.464 0.000 5.032) 6.109 2.846 ( 1.872 0.000 -1.530) 2.418 2.867 ( 0.934 0.000 2.006) 2.213 2.995 ( -0.937 0.000 2.998) 3.141 2.996 ( 0.980 0.000 -2.848) 3.012 3.182 ( -3.466 0.000 3.328) 4.805 3.231 ( 0.363 0.000 -2.964) 2.986 3.550 ( 1.091 0.000 -4.137) 4.279 3.570 ( -1.117 0.000 4.414) 4.553 4.053 ( -0.642 0.000 -3.295) 3.357 4.094 ( -2.485 0.000 -3.251) 4.092 4.125 ( 0.540 0.000 3.519) 3.560 4.132 ( -2.320 0.000 6.067) 6.495 4.213 ( -0.569 0.000 3.126) 3.177 4.341 ( 6.640 0.000 -4.321) 7.922 4.515 ( -3.848 0.000 -2.644) 4.669 4.643 ( -1.224 0.000 4.893) 5.044 4.829 ( -0.383 0.000 1.805) 1.845 4.851 ( 0.438 0.000 -1.088) 1.173 5.052 ( -3.009 0.000 4.790) 5.656 5.109 ( 1.980 0.000 -4.091) 4.545 5.385 ( -3.381 0.000 0.426) 3.408 5.402 ( -3.744 0.000 -0.149) 3.747 5.572 ( 0.238 0.000 1.903) 1.918 5.575 ( 1.476 0.000 -3.037) 3.377 5.626 ( 2.031 0.000 -7.606) 7.872 5.660 ( -2.695 0.000 9.537) 9.911 6.372 ( 0.894 0.000 -4.448) 4.537 6.386 ( -0.411 0.000 2.107) 2.146 6.453 ( -0.700 0.000 -6.020) 6.061 6.499 ( -4.515 0.000 6.603) 7.999 6.802 ( 0.314 0.000 -0.826) 0.884 6.821 ( 0.355 0.000 1.305) 1.352 7.008 ( -4.123 0.000 1.513) 4.392 7.093 ( -0.561 0.000 -1.931) 2.011 7.632 ( -0.731 0.000 -1.524) 1.690 7.678 ( -3.201 0.000 4.388) 5.431 7.738 ( -0.818 0.000 1.197) 1.449 7.908 ( -1.493 0.000 1.664) 2.236 7.948 ( -0.452 0.000 2.863) 2.898 7.973 ( 5.566 0.000 -1.968) 5.903 8.329 ( -0.972 0.000 -5.401) 5.488 8.369 ( -1.645 0.000 1.790) 2.431 11.485 ( -0.083 0.000 0.216) 0.232 11.493 ( 0.240 0.000 0.006) 0.240 11.559 ( -0.440 0.000 -0.404) 0.598 11.564 ( -0.583 0.000 0.226) 0.625 14.714 ( -1.116 0.000 0.656) 1.295 14.746 ( 0.535 0.000 -1.090) 1.214 14.859 ( -0.318 0.000 -0.623) 0.699 14.887 ( 0.995 0.000 -1.927) 2.169 15.158 ( -0.023 0.000 -0.869) 0.869 15.164 ( -0.382 0.000 0.840) 0.922 15.230 ( -0.408 0.000 -0.203) 0.456 15.237 ( -0.214 0.000 -0.100) 0.237 16.118 ( -2.800 0.000 -4.037) 4.913 16.274 ( -3.771 0.000 3.112) 4.889 16.491 ( -4.277 0.000 7.110) 8.297 16.893 ( 5.110 0.000 2.947) 5.899 ======================= Grid point 94 (43/56) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 13.362 0.000 1.000) 13.399 0.644 ( 7.560 0.000 -9.028) 11.775 0.804 ( -0.543 0.000 4.541) 4.573 0.837 ( -0.966 0.000 10.475) 10.520 0.928 ( -4.328 0.000 -0.721) 4.387 1.068 ( 0.398 0.000 1.405) 1.460 1.093 ( -2.437 0.000 -3.444) 4.219 1.135 ( 2.788 0.000 -4.928) 5.662 1.192 ( -1.046 0.000 1.302) 1.670 1.273 ( -7.577 0.000 7.291) 10.515 1.384 ( -0.797 0.000 3.254) 3.350 1.408 ( 2.869 0.000 -9.275) 9.709 1.544 ( 2.419 0.000 -0.367) 2.447 1.569 ( 2.231 0.000 3.567) 4.207 1.642 ( 1.309 0.000 0.716) 1.492 1.700 ( 1.757 0.000 -7.862) 8.056 1.762 ( -2.745 0.000 3.087) 4.130 1.773 ( -0.914 0.000 -0.881) 1.269 1.897 ( 2.728 0.000 -0.891) 2.869 1.914 ( 0.853 0.000 0.392) 0.938 2.084 ( 3.290 0.000 -3.074) 4.502 2.110 ( 2.905 0.000 0.787) 3.009 2.271 ( -3.848 0.000 3.855) 5.447 2.289 ( -1.616 0.000 -1.525) 2.222 2.441 ( -3.869 0.000 5.481) 6.709 2.447 ( 0.280 0.000 -5.915) 5.921 2.883 ( 2.802 0.000 -1.871) 3.369 2.893 ( 0.544 0.000 2.129) 2.198 2.996 ( -0.960 0.000 3.089) 3.235 2.997 ( 1.006 0.000 -3.062) 3.223 3.150 ( -2.462 0.000 4.907) 5.491 3.202 ( -0.974 0.000 -4.380) 4.487 3.552 ( 1.781 0.000 -4.166) 4.530 3.570 ( -1.765 0.000 4.625) 4.951 4.022 ( -1.228 0.000 -1.233) 1.740 4.032 ( -2.126 0.000 -2.078) 2.973 4.131 ( -1.399 0.000 5.393) 5.572 4.143 ( 0.738 0.000 -1.305) 1.499 4.251 ( 1.147 0.000 6.462) 6.563 4.380 ( 0.527 0.000 -9.194) 9.209 4.497 ( 3.013 0.000 3.456) 4.585 4.628 ( -2.549 0.000 2.813) 3.796 4.838 ( -0.608 0.000 2.630) 2.699 4.841 ( -0.528 0.000 -1.128) 1.245 5.036 ( -1.790 0.000 4.670) 5.001 5.095 ( -0.762 0.000 -4.672) 4.733 5.322 ( -2.364 0.000 -4.417) 5.009 5.327 ( -3.603 0.000 2.353) 4.303 5.583 ( 1.342 0.000 -2.821) 3.124 5.587 ( 0.016 0.000 1.675) 1.675 5.626 ( 2.748 0.000 -7.305) 7.804 5.654 ( -3.772 0.000 8.985) 9.745 6.361 ( 1.799 0.000 -6.822) 7.055 6.386 ( -1.516 0.000 3.122) 3.471 6.420 ( -0.269 0.000 -2.183) 2.199 6.437 ( -4.222 0.000 3.289) 5.352 6.812 ( 1.149 0.000 -0.676) 1.334 6.831 ( -0.170 0.000 1.192) 1.204 6.978 ( -0.408 0.000 2.091) 2.130 7.054 ( -2.108 0.000 -1.775) 2.756 7.622 ( 0.242 0.000 -0.696) 0.737 7.645 ( -1.836 0.000 1.860) 2.613 7.766 ( 1.199 0.000 4.008) 4.184 7.876 ( -2.262 0.000 -0.662) 2.357 7.958 ( -0.300 0.000 3.415) 3.428 8.009 ( 0.471 0.000 -3.688) 3.717 8.295 ( 1.123 0.000 -5.432) 5.547 8.338 ( -2.816 0.000 2.265) 3.614 11.487 ( 0.098 0.000 0.339) 0.353 11.494 ( -0.038 0.000 -0.134) 0.139 11.551 ( -0.183 0.000 -0.334) 0.381 11.554 ( -0.503 0.000 0.145) 0.523 14.708 ( -0.071 0.000 1.182) 1.184 14.740 ( -0.285 0.000 -1.510) 1.537 14.858 ( 0.498 0.000 -0.303) 0.583 14.885 ( 0.073 0.000 -1.941) 1.942 15.154 ( 0.131 0.000 -0.799) 0.810 15.160 ( -0.575 0.000 0.741) 0.938 15.224 ( -0.037 0.000 -0.339) 0.341 15.230 ( -0.441 0.000 0.154) 0.467 16.069 ( -0.371 0.000 -2.781) 2.806 16.154 ( -7.278 0.000 2.252) 7.618 16.596 ( 5.850 0.000 10.641) 12.143 16.899 ( -3.205 0.000 -4.191) 5.276 ======================= Grid point 95 (44/56) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 6.329 0.000 -6.746) 9.251 0.742 ( -6.329 0.000 6.746) 9.251 0.822 ( 0.318 0.000 -1.064) 1.111 0.822 ( -0.318 0.000 1.064) 1.111 0.958 ( -7.927 0.000 -3.745) 8.767 0.958 ( 7.927 0.000 3.745) 8.767 1.126 ( -4.141 0.000 -1.550) 4.422 1.126 ( 4.141 0.000 1.550) 4.422 1.181 ( 5.447 0.000 -4.435) 7.024 1.181 ( -5.447 0.000 4.435) 7.024 1.402 ( 0.754 0.000 -4.570) 4.632 1.402 ( -0.754 0.000 4.570) 4.632 1.577 ( 1.374 0.000 -1.144) 1.788 1.577 ( -1.374 0.000 1.144) 1.788 1.694 ( 1.325 0.000 -7.619) 7.733 1.694 ( -1.325 0.000 7.619) 7.733 1.745 ( -0.919 0.000 -0.027) 0.920 1.745 ( 0.919 0.000 0.027) 0.920 1.923 ( 0.613 0.000 -1.055) 1.220 1.923 ( -0.613 0.000 1.055) 1.220 2.128 ( 2.401 0.000 -1.874) 3.045 2.128 ( -2.401 0.000 1.874) 3.045 2.249 ( 0.006 0.000 -4.136) 4.136 2.249 ( -0.006 0.000 4.136) 4.136 2.426 ( 1.451 0.000 -5.767) 5.947 2.426 ( -1.451 0.000 5.767) 5.947 2.906 ( 0.936 0.000 -2.496) 2.666 2.906 ( -0.936 0.000 2.496) 2.666 2.997 ( 1.017 0.000 -3.254) 3.409 2.997 ( -1.017 0.000 3.254) 3.409 3.159 ( -0.061 0.000 -5.569) 5.570 3.159 ( 0.061 0.000 5.569) 5.570 3.562 ( 2.036 0.000 -4.495) 4.934 3.562 ( -2.036 0.000 4.495) 4.934 4.005 ( 0.317 0.000 -1.223) 1.263 4.005 ( -0.317 0.000 1.223) 1.263 4.141 ( 0.636 0.000 -3.455) 3.513 4.141 ( -0.636 0.000 3.455) 3.513 4.316 ( -1.373 0.000 -7.563) 7.687 4.316 ( 1.373 0.000 7.563) 7.687 4.582 ( -4.007 0.000 0.453) 4.033 4.582 ( 4.007 0.000 -0.453) 4.033 4.834 ( 0.581 0.000 -1.033) 1.185 4.834 ( -0.581 0.000 1.033) 1.185 5.049 ( -0.206 0.000 -5.281) 5.285 5.049 ( 0.206 0.000 5.281) 5.285 5.294 ( 1.863 0.000 -4.096) 4.500 5.294 ( -1.863 0.000 4.096) 4.500 5.590 ( 0.757 0.000 -1.653) 1.818 5.590 ( -0.757 0.000 1.653) 1.818 5.637 ( 3.574 0.000 -8.427) 9.153 5.637 ( -3.574 0.000 8.427) 9.153 6.366 ( 3.142 0.000 -6.449) 7.174 6.366 ( -3.142 0.000 6.449) 7.174 6.412 ( 0.407 0.000 -0.933) 1.018 6.412 ( -0.407 0.000 0.933) 1.018 6.828 ( 0.908 0.000 -0.962) 1.323 6.828 ( -0.908 0.000 0.962) 1.323 7.006 ( -1.661 0.000 -2.342) 2.871 7.006 ( 1.661 0.000 2.342) 2.871 7.629 ( 0.981 0.000 -1.001) 1.401 7.629 ( -0.981 0.000 1.001) 1.401 7.821 ( -2.488 0.000 -2.749) 3.708 7.821 ( 2.488 0.000 2.749) 3.708 7.980 ( -0.144 0.000 -4.788) 4.790 7.980 ( 0.144 0.000 4.788) 4.790 8.304 ( 2.579 0.000 -3.496) 4.344 8.304 ( -2.579 0.000 3.496) 4.344 11.491 ( -0.165 0.000 -0.285) 0.330 11.491 ( 0.165 0.000 0.285) 0.330 11.549 ( 0.173 0.000 -0.268) 0.318 11.549 ( -0.173 0.000 0.268) 0.318 14.722 ( -0.521 0.000 -1.683) 1.762 14.722 ( 0.521 0.000 1.683) 1.762 14.871 ( -0.614 0.000 -0.883) 1.076 14.871 ( 0.614 0.000 0.883) 1.076 15.155 ( 0.429 0.000 -0.736) 0.852 15.155 ( -0.429 0.000 0.736) 0.852 15.225 ( 0.316 0.000 -0.297) 0.433 15.225 ( -0.316 0.000 0.297) 0.433 16.076 ( 2.932 0.000 -2.247) 3.694 16.076 ( -2.932 0.000 2.247) 3.694 16.768 ( -6.031 0.000 -9.545) 11.291 16.768 ( 6.031 0.000 9.545) 11.291 ======================= Grid point 99 (45/56) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -4.660 3.989 -10.688) 12.324 0.681 ( 4.660 3.989 10.688) 12.324 0.808 ( 0.585 6.247 -13.388) 14.785 0.808 ( -0.585 6.247 13.388) 14.785 1.021 ( 1.290 7.937 -6.328) 10.233 1.021 ( -1.290 7.937 6.328) 10.233 1.098 ( -1.608 -0.357 -0.086) 1.649 1.098 ( 1.608 -0.357 0.086) 1.649 1.298 ( -3.679 2.569 -3.257) 5.544 1.298 ( 3.679 2.569 3.257) 5.544 1.455 ( 3.363 4.676 -6.136) 8.416 1.455 ( -3.363 4.676 6.136) 8.416 1.524 ( 1.393 0.650 -7.228) 7.390 1.524 ( -1.393 0.650 7.228) 7.390 1.704 ( -3.980 0.642 -1.378) 4.260 1.704 ( 3.980 0.642 1.378) 4.260 1.816 ( 2.134 -0.078 -4.084) 4.608 1.816 ( -2.134 -0.078 4.084) 4.608 1.846 ( -2.718 0.885 -2.468) 3.776 1.846 ( 2.718 0.885 2.468) 3.776 2.032 ( 0.470 -0.139 -1.816) 1.881 2.032 ( -0.470 -0.139 1.816) 1.881 2.344 ( 0.810 0.006 -2.847) 2.960 2.344 ( -0.810 0.006 2.847) 2.960 2.608 ( 0.998 9.198 -3.407) 9.859 2.608 ( -0.998 9.198 3.407) 9.859 2.882 ( -0.392 2.597 -1.030) 2.822 2.882 ( 0.392 2.597 1.030) 2.822 3.036 ( 0.219 4.382 -1.274) 4.569 3.036 ( -0.219 4.382 1.274) 4.569 3.209 ( 1.303 -1.235 -2.866) 3.382 3.209 ( -1.303 -1.235 2.866) 3.382 3.568 ( 0.807 0.980 -3.214) 3.456 3.568 ( -0.807 0.980 3.214) 3.456 3.967 ( 0.738 -5.905 -6.283) 8.654 3.967 ( -0.738 -5.905 6.283) 8.654 4.156 ( -1.546 -1.646 -3.001) 3.756 4.156 ( 1.546 -1.646 3.001) 3.756 4.264 ( 1.237 -0.421 -1.421) 1.930 4.264 ( -1.237 -0.421 1.421) 1.930 4.572 ( -1.074 -0.479 -4.242) 4.402 4.572 ( 1.074 -0.479 4.242) 4.402 4.820 ( 0.664 -1.514 -1.518) 2.245 4.820 ( -0.664 -1.514 1.518) 2.245 5.113 ( 2.309 2.109 -4.572) 5.539 5.113 ( -2.309 2.109 4.572) 5.539 5.394 ( -0.419 -2.415 -2.595) 3.570 5.394 ( 0.419 -2.415 2.595) 3.570 5.594 ( 1.133 2.046 -2.492) 3.418 5.594 ( -1.133 2.046 2.492) 3.418 5.640 ( 2.165 0.204 -7.212) 7.533 5.640 ( -2.165 0.204 7.212) 7.533 6.346 ( 1.779 -2.077 -6.805) 7.334 6.346 ( -1.779 -2.077 6.805) 7.334 6.559 ( 0.149 4.169 -3.718) 5.588 6.559 ( -0.149 4.169 3.718) 5.588 6.817 ( 0.182 0.723 -2.013) 2.147 6.817 ( -0.182 0.723 2.013) 2.147 7.044 ( -1.036 -2.595 -0.184) 2.800 7.044 ( 1.036 -2.595 0.184) 2.800 7.649 ( 0.019 -1.366 -4.197) 4.414 7.649 ( -0.019 -1.366 4.197) 4.414 7.773 ( -0.921 -4.051 -6.124) 7.400 7.773 ( 0.921 -4.051 6.124) 7.400 7.954 ( 0.096 0.798 -5.117) 5.180 7.954 ( -0.096 0.798 5.117) 5.180 8.319 ( 1.364 -4.047 -4.687) 6.341 8.319 ( -1.364 -4.047 4.687) 6.341 11.472 ( -0.206 -1.287 0.007) 1.304 11.472 ( 0.206 -1.287 -0.007) 1.304 11.555 ( -0.024 -1.213 -0.256) 1.240 11.555 ( 0.024 -1.213 0.256) 1.240 14.733 ( 1.085 0.074 -0.815) 1.359 14.733 ( -1.085 0.074 0.815) 1.359 14.852 ( -0.357 -1.362 -0.500) 1.494 14.852 ( 0.357 -1.362 0.500) 1.494 15.229 ( -0.321 4.897 -0.620) 4.946 15.229 ( 0.321 4.897 0.620) 4.946 15.332 ( 0.559 7.676 -2.453) 8.077 15.332 ( -0.559 7.676 2.453) 8.077 16.183 ( -3.317 -2.433 -5.094) 6.548 16.183 ( 3.317 -2.433 5.094) 6.548 16.586 ( -11.304 -8.356 1.178) 14.107 16.586 ( 11.304 -8.356 -1.178) 14.107 ======================= Grid point 101 (46/56) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.868 6.676 -9.842) 11.924 0.739 ( 2.011 8.615 -5.267) 10.295 0.803 ( 0.536 4.327 3.552) 5.624 0.883 ( 1.525 4.702 9.541) 10.746 1.020 ( -1.772 1.911 -0.730) 2.706 1.061 ( 0.068 1.034 -1.754) 2.037 1.075 ( 0.623 3.255 2.011) 3.877 1.141 ( 1.703 0.746 0.061) 1.860 1.245 ( 1.194 6.189 -0.199) 6.306 1.364 ( 0.018 2.592 3.607) 4.442 1.444 ( -1.593 5.156 5.544) 7.737 1.463 ( 0.821 3.921 -8.352) 9.263 1.512 ( 1.978 0.861 1.119) 2.430 1.526 ( -1.527 0.877 1.998) 2.663 1.640 ( -0.521 -0.635 -3.030) 3.139 1.754 ( 0.308 2.363 -4.693) 5.263 1.783 ( -3.179 -0.542 1.831) 3.709 1.792 ( 0.726 0.604 0.448) 1.046 1.853 ( 2.090 0.101 -0.049) 2.093 1.912 ( 2.400 1.396 1.401) 3.110 2.046 ( 2.149 -0.252 -2.217) 3.098 2.056 ( 2.402 0.157 1.029) 2.618 2.306 ( -2.984 -0.566 1.264) 3.290 2.355 ( -0.286 0.337 -0.221) 0.494 2.581 ( -1.972 9.142 0.301) 9.357 2.608 ( -0.647 9.556 -0.668) 9.601 2.876 ( 0.487 2.372 0.454) 2.463 2.915 ( 2.057 2.225 -0.086) 3.031 3.030 ( -0.045 3.896 -0.947) 4.009 3.041 ( 0.132 5.077 0.575) 5.111 3.174 ( -2.690 -0.706 2.075) 3.470 3.225 ( 0.615 -0.716 -1.303) 1.609 3.564 ( 0.824 1.248 -3.099) 3.440 3.571 ( -0.994 0.482 3.247) 3.430 3.942 ( 0.006 -6.148 -2.947) 6.818 3.993 ( -1.269 -5.555 6.371) 8.548 4.086 ( -2.975 -1.777 -1.856) 3.931 4.192 ( -0.278 -1.608 -0.070) 1.633 4.247 ( -0.683 -0.291 2.534) 2.640 4.302 ( 3.598 -2.374 -3.840) 5.773 4.494 ( -3.581 0.581 1.754) 4.029 4.627 ( 0.736 -0.357 1.799) 1.976 4.811 ( -0.068 -1.348 1.264) 1.849 4.835 ( 0.645 -1.393 -1.543) 2.177 5.093 ( -2.356 2.750 3.951) 5.359 5.124 ( 1.111 1.293 -3.789) 4.155 5.350 ( -1.929 -1.785 -3.348) 4.256 5.389 ( -2.465 -1.482 1.971) 3.487 5.585 ( 0.401 1.394 -1.020) 1.773 5.609 ( 1.248 2.312 -1.385) 2.970 5.640 ( 0.338 0.888 -0.025) 0.950 5.654 ( -0.655 0.082 3.876) 3.932 6.334 ( 1.203 -2.134 -6.120) 6.592 6.351 ( -1.705 -1.864 5.081) 5.674 6.531 ( -0.968 5.499 -2.004) 5.932 6.564 ( -1.543 4.301 2.188) 5.067 6.810 ( 0.317 0.678 -1.581) 1.749 6.824 ( -0.364 0.210 1.927) 1.973 6.993 ( -2.628 -1.196 0.418) 2.917 7.058 ( -0.423 -2.603 -0.673) 2.722 7.619 ( -1.035 -1.211 -0.751) 1.761 7.664 ( -2.235 -1.219 3.801) 4.575 7.711 ( -0.053 -2.697 -1.683) 3.179 7.834 ( 0.621 -5.362 3.032) 6.192 7.926 ( 0.211 0.229 -3.639) 3.652 7.998 ( 1.075 0.101 2.608) 2.823 8.279 ( -1.645 -3.881 -1.618) 4.515 8.332 ( 0.025 -3.495 -1.052) 3.650 11.470 ( -0.047 -1.214 0.258) 1.242 11.477 ( 0.220 -1.344 0.074) 1.364 11.548 ( -0.402 -1.081 -0.385) 1.216 11.551 ( -0.481 -1.235 0.017) 1.326 14.717 ( -0.842 0.390 0.809) 1.231 14.747 ( 0.773 0.154 -1.156) 1.399 14.845 ( 0.036 -1.035 -0.766) 1.288 14.861 ( 0.417 -1.601 -0.195) 1.666 15.215 ( -0.565 4.657 0.020) 4.691 15.242 ( 0.487 5.514 0.118) 5.537 15.308 ( -1.335 6.885 -0.452) 7.028 15.337 ( -0.347 7.837 -0.062) 7.845 16.101 ( -2.472 -1.441 -3.904) 4.841 16.230 ( -3.664 -3.706 3.254) 6.144 16.442 ( -3.105 -4.275 7.155) 8.895 16.751 ( 5.970 -11.476 -1.286) 13.000 ======================= Grid point 102 (47/56) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 10.933 5.046 -0.927) 12.077 0.774 ( 4.835 7.856 -2.431) 9.540 0.823 ( 0.207 3.546 1.718) 3.946 0.953 ( -1.907 3.013 0.612) 3.617 0.977 ( -1.647 7.716 5.776) 9.778 1.027 ( -1.980 -1.986 2.703) 3.895 1.070 ( 0.218 -0.489 -3.635) 3.675 1.133 ( -1.166 0.591 -2.190) 2.551 1.277 ( -0.225 5.598 -1.571) 5.819 1.337 ( -6.358 5.312 4.860) 9.605 1.417 ( -0.096 2.821 2.995) 4.115 1.446 ( 1.340 2.534 -5.414) 6.126 1.557 ( 3.062 0.884 0.337) 3.205 1.579 ( 2.870 1.812 0.414) 3.420 1.641 ( 1.475 0.408 -0.202) 1.544 1.716 ( -1.905 0.057 -1.883) 2.679 1.749 ( -0.267 0.973 0.085) 1.013 1.804 ( 0.229 2.042 -1.421) 2.498 1.899 ( 2.424 0.622 1.330) 2.834 1.943 ( 0.972 1.584 -0.649) 1.968 2.075 ( 2.817 -0.610 -2.982) 4.148 2.117 ( 2.582 0.575 1.065) 2.852 2.258 ( -3.135 -0.831 2.924) 4.367 2.326 ( -2.481 0.542 -0.899) 2.694 2.553 ( -1.271 9.677 1.427) 9.864 2.583 ( -1.134 10.044 -1.610) 10.235 2.901 ( 1.413 1.553 1.454) 2.554 2.942 ( 1.102 1.036 -1.414) 2.071 3.026 ( 0.038 3.649 -0.322) 3.663 3.043 ( -0.082 5.719 -0.656) 5.757 3.153 ( -1.119 0.483 3.853) 4.042 3.214 ( -0.699 0.854 -2.172) 2.437 3.563 ( 1.188 0.989 -3.389) 3.724 3.570 ( -1.313 0.271 3.619) 3.860 3.934 ( 0.589 -5.665 -1.877) 5.997 3.976 ( -3.021 -4.268 2.217) 5.680 4.059 ( -0.072 -3.548 2.391) 4.279 4.151 ( -2.616 -3.323 -2.340) 4.833 4.267 ( 0.173 -0.506 4.393) 4.425 4.320 ( 1.142 -2.816 -5.358) 6.159 4.500 ( 2.448 1.069 3.581) 4.467 4.628 ( -1.390 0.145 1.167) 1.821 4.818 ( -0.572 -1.609 1.335) 2.167 4.822 ( -0.614 -1.451 -1.802) 2.394 5.079 ( -1.733 2.930 3.990) 5.245 5.106 ( -0.187 1.371 -4.504) 4.712 5.306 ( -0.176 -0.129 -3.785) 3.791 5.344 ( -3.461 0.295 2.229) 4.128 5.597 ( 1.895 1.345 -2.334) 3.293 5.623 ( 1.119 2.378 -1.276) 2.922 5.645 ( -0.265 1.045 1.059) 1.512 5.652 ( -1.876 0.583 3.474) 3.991 6.324 ( 1.655 -1.701 -5.469) 5.962 6.344 ( -2.153 -1.566 4.672) 5.377 6.508 ( -0.636 6.269 -0.432) 6.316 6.533 ( -2.034 5.953 -0.095) 6.292 6.813 ( 0.898 0.113 -1.095) 1.421 6.827 ( -0.422 -0.402 1.428) 1.542 6.973 ( -0.113 -0.510 1.175) 1.286 7.032 ( -1.691 -1.754 -0.981) 2.627 7.607 ( -0.299 -1.286 0.773) 1.530 7.636 ( -1.441 -0.904 0.114) 1.705 7.736 ( 1.971 -2.863 1.663) 3.853 7.833 ( -2.151 -4.146 1.963) 5.067 7.922 ( 1.597 -0.949 -2.878) 3.426 7.996 ( -2.141 -1.296 0.248) 2.515 8.260 ( 0.705 -2.997 -1.413) 3.388 8.312 ( -1.507 -2.794 -0.538) 3.220 11.473 ( 0.113 -1.173 0.364) 1.233 11.479 ( 0.003 -1.302 -0.024) 1.302 11.540 ( -0.237 -1.064 -0.338) 1.141 11.542 ( -0.423 -1.163 -0.029) 1.237 14.716 ( 0.009 0.701 1.339) 1.511 14.745 ( -0.053 0.472 -1.569) 1.639 14.846 ( 0.484 -0.942 -0.401) 1.133 14.863 ( -0.006 -1.474 -0.543) 1.570 15.211 ( 0.036 4.846 0.389) 4.862 15.240 ( -0.671 6.117 -0.440) 6.169 15.291 ( -0.072 5.936 0.004) 5.936 15.322 ( -1.020 7.346 -0.297) 7.423 16.055 ( -0.369 -1.100 -2.595) 2.843 16.130 ( -6.261 -2.004 2.130) 6.911 16.534 ( 4.617 -5.488 9.980) 12.290 16.772 ( -0.893 -10.575 -5.752) 12.071 ======================= Grid point 103 (48/56) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -1.770 3.495 -2.885) 4.866 0.800 ( 1.770 3.495 2.885) 4.866 0.884 ( -4.578 4.877 -3.177) 7.405 0.884 ( 4.578 4.877 3.177) 7.405 0.983 ( -3.064 2.678 -3.614) 5.443 0.983 ( 3.064 2.678 3.614) 5.443 1.093 ( -1.885 -0.180 -2.413) 3.067 1.093 ( 1.885 -0.180 2.413) 3.067 1.267 ( 2.051 5.527 -5.778) 8.255 1.267 ( -2.051 5.527 5.778) 8.255 1.439 ( 0.347 2.542 -2.714) 3.735 1.439 ( -0.347 2.542 2.714) 3.735 1.598 ( 0.249 2.410 -1.896) 3.077 1.598 ( -0.249 2.410 1.896) 3.077 1.670 ( 1.838 -1.660 -5.721) 6.234 1.670 ( -1.838 -1.660 5.721) 6.234 1.780 ( -0.346 2.592 -2.051) 3.323 1.780 ( 0.346 2.592 2.051) 3.323 1.940 ( -0.270 1.226 -2.148) 2.488 1.940 ( 0.270 1.226 2.148) 2.488 2.117 ( 2.874 -0.417 -2.329) 3.723 2.117 ( -2.874 -0.417 2.329) 3.723 2.267 ( -0.014 0.385 -5.478) 5.492 2.267 ( 0.014 0.385 5.478) 5.492 2.557 ( 0.775 10.113 -4.115) 10.946 2.557 ( -0.775 10.113 4.115) 10.946 2.934 ( -0.338 0.716 -2.710) 2.824 2.934 ( 0.338 0.716 2.710) 2.824 3.031 ( -0.501 4.439 -0.608) 4.508 3.031 ( 0.501 4.439 0.608) 4.508 3.179 ( -0.489 1.786 -4.373) 4.748 3.179 ( 0.489 1.786 4.373) 4.748 3.566 ( 1.455 0.497 -3.679) 3.987 3.566 ( -1.455 0.497 3.679) 3.987 3.943 ( 0.844 -4.510 -1.921) 4.974 3.943 ( -0.844 -4.510 1.921) 4.974 4.093 ( -0.742 -4.369 -4.739) 6.488 4.093 ( 0.742 -4.369 4.739) 6.488 4.297 ( -0.099 -1.313 -4.738) 4.918 4.297 ( 0.099 -1.313 4.738) 4.918 4.582 ( -3.013 0.254 -1.992) 3.621 4.582 ( 3.013 0.254 1.992) 3.621 4.810 ( 0.676 -1.764 -1.241) 2.260 4.810 ( -0.676 -1.764 1.241) 2.260 5.081 ( 0.587 2.585 -4.277) 5.032 5.081 ( -0.587 2.585 4.277) 5.032 5.305 ( 2.114 0.842 -3.183) 3.913 5.305 ( -2.114 0.842 3.183) 3.913 5.621 ( 1.115 2.128 -1.063) 2.627 5.621 ( -1.115 2.128 1.063) 2.627 5.643 ( 1.491 0.769 -5.131) 5.399 5.643 ( -1.491 0.769 5.131) 5.399 6.331 ( 2.803 -1.334 -7.298) 7.931 6.331 ( -2.803 -1.334 7.298) 7.931 6.507 ( -0.185 6.423 -0.913) 6.490 6.507 ( 0.185 6.423 0.913) 6.490 6.823 ( 0.788 -0.374 -1.465) 1.705 6.823 ( -0.788 -0.374 1.465) 1.705 6.995 ( -1.115 -0.946 -1.775) 2.300 6.995 ( 1.115 -0.946 1.775) 2.300 7.615 ( -0.239 -1.224 -1.403) 1.877 7.615 ( 0.239 -1.224 1.403) 1.877 7.789 ( -0.453 -2.982 -3.013) 4.264 7.789 ( 0.453 -2.982 3.013) 4.264 7.950 ( 1.471 -1.704 -4.952) 5.440 7.950 ( -1.471 -1.704 4.952) 5.440 8.280 ( 1.362 -2.522 -4.459) 5.301 8.280 ( -1.362 -2.522 4.459) 5.301 11.477 ( -0.111 -1.203 -0.262) 1.236 11.477 ( 0.111 -1.203 0.262) 1.236 11.537 ( 0.105 -1.120 -0.227) 1.148 11.537 ( -0.105 -1.120 0.227) 1.148 14.730 ( -0.404 0.708 -1.740) 1.922 14.730 ( 0.404 0.708 1.740) 1.922 14.855 ( -0.442 -1.138 -0.284) 1.254 14.855 ( 0.442 -1.138 0.284) 1.254 15.222 ( -0.734 5.473 -0.665) 5.562 15.222 ( 0.734 5.473 0.665) 5.562 15.302 ( -0.402 6.452 -0.758) 6.509 15.302 ( 0.402 6.452 0.758) 6.509 16.061 ( 2.069 -1.161 -2.335) 3.328 16.061 ( -2.069 -1.161 2.335) 3.328 16.676 ( -4.248 -7.971 -9.325) 12.982 16.676 ( 4.248 -7.971 9.325) 12.982 ======================= Grid point 107 (49/56) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -3.147 5.147 -4.941) 7.798 0.781 ( 3.147 5.147 4.941) 7.798 0.943 ( 1.665 6.702 -7.667) 10.318 0.943 ( -1.665 6.702 7.667) 10.318 1.061 ( 1.662 -1.411 -3.068) 3.764 1.061 ( -1.662 -1.411 3.068) 3.764 1.196 ( -0.039 5.689 -2.777) 6.331 1.196 ( 0.039 5.689 2.777) 6.331 1.367 ( -1.346 2.930 -1.315) 3.482 1.367 ( 1.346 2.930 1.315) 3.482 1.498 ( -0.253 0.228 -1.541) 1.578 1.498 ( 0.253 0.228 1.541) 1.578 1.612 ( 2.195 4.224 -6.423) 7.995 1.612 ( -2.195 4.224 6.423) 7.995 1.718 ( -4.880 1.390 -2.553) 5.681 1.718 ( 4.880 1.390 2.553) 5.681 1.806 ( 2.706 -0.585 -8.077) 8.538 1.806 ( -2.706 -0.585 8.077) 8.538 1.886 ( -3.252 3.097 -1.043) 4.610 1.886 ( 3.252 3.097 1.043) 4.610 2.027 ( 0.759 -0.483 -2.585) 2.738 2.027 ( -0.759 -0.483 2.585) 2.738 2.323 ( 1.158 -1.162 -3.867) 4.201 2.323 ( -1.158 -1.162 3.867) 4.201 2.761 ( 0.591 4.431 -0.678) 4.521 2.761 ( -0.591 4.431 0.678) 4.521 2.920 ( 0.735 0.804 -1.052) 1.515 2.920 ( -0.735 0.804 1.052) 1.515 3.137 ( 0.021 2.210 -0.529) 2.272 3.137 ( -0.021 2.210 0.529) 2.272 3.185 ( -1.136 0.550 -0.972) 1.593 3.185 ( 1.136 0.550 0.972) 1.593 3.596 ( 0.420 1.146 -1.355) 1.823 3.596 ( -0.420 1.146 1.355) 1.823 3.896 ( -0.105 -0.797 -4.388) 4.461 3.896 ( 0.105 -0.797 4.388) 4.461 4.088 ( 1.400 -4.866 -1.598) 5.309 4.088 ( -1.400 -4.866 1.598) 5.309 4.218 ( 1.542 -1.206 -2.806) 3.421 4.218 ( -1.542 -1.206 2.806) 3.421 4.631 ( -1.372 4.983 -2.525) 5.752 4.631 ( 1.372 4.983 2.525) 5.752 4.793 ( 0.627 -0.641 -2.784) 2.925 4.793 ( -0.627 -0.641 2.784) 2.925 5.153 ( 1.274 1.586 -2.491) 3.216 5.153 ( -1.274 1.586 2.491) 3.216 5.339 ( 0.090 -2.940 -3.159) 4.316 5.339 ( -0.090 -2.940 3.159) 4.316 5.631 ( 1.116 1.505 -6.153) 6.432 5.631 ( -1.116 1.505 6.153) 6.432 5.669 ( 0.688 2.150 -2.481) 3.354 5.669 ( -0.688 2.150 2.481) 3.354 6.311 ( 1.739 -1.158 -6.124) 6.470 6.311 ( -1.739 -1.158 6.124) 6.470 6.641 ( 0.178 3.188 -1.546) 3.547 6.641 ( -0.178 3.188 1.546) 3.547 6.836 ( 0.587 1.097 -2.739) 3.008 6.836 ( -0.587 1.097 2.739) 3.008 7.000 ( -1.036 -1.299 -0.829) 1.857 7.000 ( 1.036 -1.299 0.829) 1.857 7.612 ( 1.425 -1.936 -4.818) 5.384 7.612 ( -1.425 -1.936 4.818) 5.384 7.684 ( -0.704 -4.093 -5.372) 6.791 7.684 ( 0.704 -4.093 5.372) 6.791 7.970 ( 0.327 1.060 -4.866) 4.991 7.970 ( -0.327 1.060 4.866) 4.991 8.223 ( 2.264 -4.684 -5.283) 7.415 8.223 ( -2.264 -4.684 5.283) 7.415 11.444 ( -0.046 -1.173 -0.118) 1.179 11.444 ( 0.046 -1.173 0.118) 1.179 11.519 ( 0.020 -2.037 -0.041) 2.037 11.519 ( -0.020 -2.037 0.041) 2.037 14.742 ( 0.908 0.747 -0.792) 1.417 14.742 ( -0.908 0.747 0.792) 1.417 14.828 ( -0.153 -0.939 -0.562) 1.105 14.828 ( 0.153 -0.939 0.562) 1.105 15.341 ( -0.613 5.253 -0.579) 5.320 15.341 ( 0.613 5.253 0.579) 5.320 15.490 ( 0.488 6.382 -3.761) 7.424 15.490 ( -0.488 6.382 3.761) 7.424 16.126 ( -1.569 -2.490 -4.404) 5.297 16.126 ( 1.569 -2.490 4.404) 5.297 16.401 ( 7.043 -8.266 -4.005) 11.574 16.401 ( -7.043 -8.266 4.005) 11.574 ======================= Grid point 109 (50/56) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 1.036 8.566 -2.811) 9.075 0.862 ( 2.337 4.102 3.019) 5.604 0.933 ( 1.957 6.884 -6.554) 9.704 0.968 ( -0.050 4.191 6.578) 7.800 1.034 ( -2.360 0.383 1.318) 2.730 1.060 ( 0.967 -1.134 -3.850) 4.128 1.171 ( -2.251 4.691 0.654) 5.244 1.200 ( -0.860 3.662 0.083) 3.763 1.376 ( 2.044 4.521 0.882) 5.039 1.409 ( 1.285 0.842 1.638) 2.245 1.478 ( -0.980 -1.096 -1.435) 2.055 1.520 ( 1.389 0.241 0.543) 1.510 1.591 ( -3.822 5.279 0.601) 6.544 1.620 ( -0.538 4.270 -1.353) 4.511 1.647 ( 2.371 3.173 -1.434) 4.213 1.748 ( -3.437 -1.557 1.446) 4.041 1.809 ( 0.919 1.165 1.929) 2.434 1.829 ( 0.801 3.206 -1.602) 3.673 1.862 ( 2.034 1.125 0.878) 2.485 1.942 ( 1.960 1.807 0.973) 2.838 2.037 ( 1.751 -0.769 -3.031) 3.584 2.055 ( 2.937 -0.636 0.891) 3.134 2.284 ( -2.794 -0.623 1.103) 3.068 2.342 ( 0.576 -0.888 -0.672) 1.254 2.735 ( -1.816 4.655 0.984) 5.093 2.768 ( -0.204 4.534 -0.616) 4.580 2.911 ( -0.446 0.652 0.998) 1.273 2.935 ( 1.002 -0.038 -1.084) 1.477 3.129 ( -0.039 2.669 -0.409) 2.701 3.150 ( 0.398 1.601 -0.118) 1.654 3.164 ( -0.552 2.028 1.258) 2.450 3.217 ( 1.605 0.825 0.226) 1.819 3.591 ( -0.088 1.226 -1.005) 1.588 3.594 ( -0.430 0.961 0.581) 1.202 3.860 ( -1.202 -1.259 -1.000) 2.007 3.924 ( -0.585 -1.153 3.364) 3.604 4.044 ( -2.618 -2.913 -0.324) 3.930 4.086 ( -0.661 -5.358 -2.161) 5.815 4.218 ( -0.031 -0.595 2.075) 2.159 4.242 ( 2.037 -2.684 -2.209) 4.029 4.575 ( -2.532 5.813 0.812) 6.393 4.666 ( 0.085 3.747 1.796) 4.156 4.789 ( 0.584 -0.603 -1.231) 1.490 4.807 ( 0.363 -0.832 -0.135) 0.918 5.142 ( -1.381 1.938 2.170) 3.221 5.156 ( 0.620 1.558 -2.519) 3.026 5.316 ( -0.416 -1.972 -2.830) 3.475 5.345 ( -1.084 -2.716 2.349) 3.751 5.620 ( 1.217 1.612 -4.168) 4.631 5.648 ( -1.107 0.939 5.629) 5.814 5.660 ( 0.165 2.216 -0.171) 2.229 5.687 ( 1.139 2.111 -0.764) 2.517 6.302 ( 0.457 -0.677 -1.888) 2.057 6.323 ( -0.178 -0.888 2.156) 2.339 6.632 ( -0.153 3.339 -0.404) 3.367 6.651 ( 0.121 3.670 0.573) 3.717 6.825 ( -0.080 0.832 -1.467) 1.689 6.838 ( -0.784 1.200 1.243) 1.898 6.970 ( -1.217 -0.702 -0.713) 1.575 7.011 ( -0.355 -1.628 0.503) 1.740 7.587 ( -1.353 -1.627 0.529) 2.181 7.633 ( -0.868 -1.530 2.604) 3.142 7.637 ( 0.980 -3.622 -5.516) 6.671 7.735 ( 0.594 -4.318 4.105) 5.987 7.945 ( 0.091 1.658 -4.004) 4.335 7.992 ( -0.613 -0.172 3.276) 3.338 8.188 ( -2.283 -4.372 1.688) 5.213 8.239 ( 1.011 -4.930 -3.047) 5.883 11.442 ( -0.017 -1.200 0.189) 1.215 11.447 ( 0.134 -1.234 0.159) 1.251 11.515 ( -0.299 -2.005 -0.189) 2.036 11.516 ( -0.232 -1.845 -0.266) 1.879 14.732 ( -0.468 1.010 0.899) 1.431 14.756 ( 0.968 0.684 -1.047) 1.581 14.824 ( 0.038 -0.905 -0.401) 0.990 14.835 ( 0.220 -0.925 0.312) 1.001 15.327 ( -0.531 5.326 0.025) 5.352 15.360 ( 0.829 5.112 0.236) 5.184 15.461 ( -1.214 6.595 -2.260) 7.077 15.496 ( -0.968 6.265 1.684) 6.560 16.071 ( -1.660 -0.983 -3.261) 3.788 16.148 ( -2.692 -3.394 3.307) 5.450 16.334 ( -1.874 -5.410 6.208) 8.445 16.496 ( 5.246 -11.416 -4.551) 13.363 ======================= Grid point 110 (51/56) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 6.497 7.839 1.093) 10.240 0.900 ( 1.237 5.494 0.544) 5.658 0.944 ( 1.887 6.398 -2.104) 6.994 0.992 ( -0.818 0.187 1.535) 1.749 1.007 ( -1.175 1.695 1.371) 2.476 1.060 ( 0.721 0.596 -2.151) 2.346 1.132 ( -1.933 4.708 2.301) 5.585 1.175 ( -1.596 2.930 -1.328) 3.591 1.390 ( -0.941 4.544 -1.411) 4.850 1.432 ( 2.326 -0.767 -2.060) 3.200 1.464 ( -2.437 -0.041 3.697) 4.428 1.466 ( -4.787 2.407 -0.959) 5.443 1.580 ( 2.899 1.239 0.143) 3.156 1.649 ( 2.039 3.269 -1.886) 4.290 1.674 ( -1.173 2.531 3.748) 4.672 1.707 ( -0.317 1.219 -1.326) 1.829 1.804 ( 0.631 2.770 0.650) 2.914 1.853 ( 0.763 2.271 -2.751) 3.648 1.916 ( 2.252 0.996 3.509) 4.287 1.965 ( 0.591 0.619 -0.821) 1.186 2.054 ( 2.627 -1.313 -3.424) 4.511 2.119 ( 1.739 -1.104 1.612) 2.616 2.249 ( -1.295 0.841 2.113) 2.617 2.331 ( -1.238 0.163 -1.323) 1.819 2.717 ( -0.764 5.003 1.421) 5.256 2.750 ( -1.090 4.700 -0.927) 4.913 2.915 ( 0.065 -0.204 1.382) 1.399 2.938 ( 0.167 -0.979 -1.578) 1.865 3.126 ( 0.517 3.766 -1.602) 4.125 3.143 ( -0.786 1.895 0.433) 2.097 3.191 ( 1.368 3.014 3.088) 4.527 3.239 ( 0.802 1.552 -0.847) 1.941 3.584 ( 0.287 0.941 -1.902) 2.142 3.588 ( -0.865 0.918 1.462) 1.930 3.846 ( -0.174 -2.036 0.355) 2.074 3.902 ( -2.711 -2.522 0.510) 3.738 4.017 ( -0.656 -0.970 1.324) 1.767 4.053 ( -1.276 -3.583 -2.138) 4.363 4.232 ( 0.165 -1.678 2.103) 2.696 4.255 ( 0.904 -3.030 -2.514) 4.039 4.569 ( 0.987 4.996 2.222) 5.556 4.664 ( -1.323 3.379 1.105) 3.794 4.782 ( -0.018 -1.355 -2.786) 3.098 4.801 ( -1.109 -0.583 0.538) 1.363 5.133 ( -0.732 2.362 1.710) 3.007 5.147 ( 0.072 2.045 -2.226) 3.023 5.301 ( 0.453 -0.893 -1.778) 2.040 5.331 ( -1.682 -1.630 1.667) 2.875 5.627 ( 2.120 1.310 -3.667) 4.433 5.653 ( -0.855 0.809 2.611) 2.864 5.670 ( -0.165 2.048 2.768) 3.448 5.694 ( 0.188 2.132 -1.288) 2.498 6.307 ( 1.182 0.046 -1.796) 2.151 6.327 ( -0.803 -0.260 2.217) 2.373 6.631 ( 0.243 4.273 -0.303) 4.291 6.649 ( -0.643 4.535 0.296) 4.590 6.819 ( 0.324 0.366 -1.456) 1.536 6.826 ( -1.004 0.978 1.082) 1.771 6.958 ( 0.219 -0.762 -0.299) 0.848 6.996 ( -1.369 -1.450 0.307) 2.018 7.577 ( -0.634 -1.286 2.064) 2.513 7.606 ( -0.397 -1.809 -2.923) 3.460 7.666 ( 2.608 -2.850 -0.594) 3.909 7.746 ( -1.780 -3.869 3.439) 5.474 7.930 ( 0.955 1.463 -3.892) 4.266 7.975 ( -2.743 -0.314 2.090) 3.463 8.177 ( -0.181 -4.495 2.371) 5.086 8.226 ( -0.254 -4.931 -3.104) 5.832 11.445 ( 0.115 -1.293 0.245) 1.321 11.449 ( -0.013 -1.313 0.129) 1.319 11.509 ( -0.249 -1.795 -0.111) 1.816 11.510 ( -0.196 -1.663 -0.347) 1.710 14.737 ( 0.175 1.223 1.367) 1.843 14.761 ( 0.303 0.951 -1.447) 1.758 14.826 ( 0.356 -0.921 -0.145) 0.998 14.838 ( -0.064 -0.915 0.029) 0.917 15.326 ( 0.279 5.363 0.590) 5.402 15.366 ( -0.335 5.067 -0.745) 5.133 15.435 ( -0.141 6.624 -0.928) 6.690 15.477 ( -1.796 6.260 0.782) 6.559 16.037 ( -0.321 -0.200 -1.712) 1.753 16.090 ( -3.989 -1.189 1.571) 4.449 16.391 ( 2.193 -7.322 8.042) 11.095 16.523 ( 1.300 -11.806 -6.462) 13.521 ======================= Grid point 111 (52/56) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -2.960 5.261 -0.074) 6.037 0.902 ( 2.960 5.261 0.074) 6.037 0.963 ( -0.856 3.870 -2.538) 4.706 0.963 ( 0.856 3.870 2.538) 4.706 1.032 ( -1.750 1.681 -3.471) 4.235 1.032 ( 1.750 1.681 3.471) 4.235 1.139 ( -0.884 3.316 -2.073) 4.010 1.139 ( 0.884 3.316 2.073) 4.010 1.385 ( 1.374 4.596 -3.427) 5.895 1.385 ( -1.374 4.596 3.427) 5.895 1.457 ( 2.026 -0.988 -3.479) 4.145 1.457 ( -2.026 -0.988 3.479) 4.145 1.630 ( 3.208 -1.453 -3.995) 5.326 1.630 ( -3.208 -1.453 3.995) 5.326 1.692 ( -0.766 5.311 -2.304) 5.840 1.692 ( 0.766 5.311 2.304) 5.840 1.835 ( -0.914 2.144 -2.024) 3.087 1.835 ( 0.914 2.144 2.024) 3.087 1.957 ( 0.065 0.186 -3.169) 3.175 1.957 ( -0.065 0.186 3.169) 3.175 2.101 ( 3.525 -1.132 -3.197) 4.891 2.101 ( -3.525 -1.132 3.197) 4.891 2.283 ( -1.506 1.269 -3.138) 3.704 2.283 ( 1.506 1.269 3.138) 3.704 2.725 ( -0.598 4.924 -1.457) 5.170 2.725 ( 0.598 4.924 1.457) 5.170 2.927 ( 0.154 -0.994 -2.254) 2.469 2.927 ( -0.154 -0.994 2.254) 2.469 3.132 ( 0.862 3.462 -1.589) 3.906 3.132 ( -0.862 3.462 1.589) 3.906 3.230 ( -0.279 2.409 -3.094) 3.931 3.230 ( 0.279 2.409 3.094) 3.931 3.582 ( 0.984 0.804 -2.516) 2.819 3.582 ( -0.984 0.804 2.516) 2.819 3.860 ( -0.701 -2.652 -1.497) 3.125 3.860 ( 0.701 -2.652 1.497) 3.125 4.025 ( 0.652 -1.473 -3.949) 4.265 4.025 ( -0.652 -1.473 3.949) 4.265 4.248 ( 0.051 -2.610 -2.493) 3.610 4.248 ( -0.051 -2.610 2.493) 3.610 4.622 ( -2.839 3.532 -1.616) 4.811 4.622 ( 2.839 3.532 1.616) 4.811 4.780 ( 1.289 -0.816 -1.394) 2.067 4.780 ( -1.290 -0.816 1.394) 2.067 5.136 ( 0.289 2.445 -2.151) 3.269 5.136 ( -0.289 2.445 2.151) 3.269 5.310 ( 1.214 -0.778 -1.451) 2.046 5.310 ( -1.214 -0.778 1.451) 2.046 5.646 ( 2.729 0.837 -7.184) 7.731 5.646 ( -2.729 0.837 7.184) 7.731 5.683 ( 0.843 2.240 -3.869) 4.550 5.683 ( -0.843 2.240 3.869) 4.550 6.320 ( 2.145 0.191 -6.014) 6.388 6.320 ( -2.145 0.191 6.014) 6.388 6.637 ( -0.038 4.984 -0.206) 4.989 6.637 ( 0.038 4.984 0.206) 4.989 6.819 ( 0.861 0.346 -2.345) 2.522 6.819 ( -0.861 0.346 2.345) 2.522 6.972 ( -0.212 -1.133 -0.737) 1.368 6.972 ( 0.212 -1.133 0.737) 1.368 7.585 ( 0.183 -1.259 -3.128) 3.376 7.585 ( -0.183 -1.259 3.128) 3.376 7.715 ( 2.381 -3.486 -1.673) 4.540 7.715 ( -2.381 -3.486 1.673) 4.540 7.939 ( 2.225 0.689 -4.261) 4.856 7.939 ( -2.225 0.689 4.261) 4.856 8.199 ( 0.743 -4.766 -5.238) 7.121 8.199 ( -0.743 -4.766 5.238) 7.121 11.448 ( -0.079 -1.345 -0.108) 1.351 11.448 ( 0.079 -1.345 0.108) 1.351 11.506 ( 0.021 -1.644 -0.190) 1.655 11.506 ( -0.021 -1.644 0.190) 1.655 14.751 ( -0.281 1.216 -1.626) 2.050 14.751 ( 0.281 1.216 1.626) 2.050 14.833 ( -0.306 -0.932 -0.129) 0.990 14.833 ( 0.306 -0.932 0.129) 0.990 15.343 ( -0.901 5.341 -1.292) 5.569 15.343 ( 0.901 5.341 1.292) 5.569 15.448 ( -0.409 6.308 -0.629) 6.353 15.448 ( 0.409 6.308 0.629) 6.353 16.043 ( 1.136 -0.075 -2.834) 3.054 16.043 ( -1.136 -0.075 2.834) 3.054 16.476 ( -1.514 -10.002 -7.966) 12.875 16.476 ( 1.514 -10.002 7.966) 12.875 ======================= Grid point 115 (53/56) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -0.640 3.637 -0.279) 3.703 0.879 ( 0.640 3.637 0.279) 3.703 0.991 ( 1.349 -1.949 -1.937) 3.062 0.991 ( -1.349 -1.949 1.937) 3.062 1.111 ( 0.480 4.881 -3.561) 6.061 1.111 ( -0.480 4.881 3.561) 6.061 1.285 ( 0.437 3.452 -1.681) 3.864 1.285 ( -0.437 3.452 1.681) 3.864 1.368 ( -0.647 -3.048 -1.547) 3.479 1.368 ( 0.647 -3.048 1.547) 3.479 1.507 ( -0.731 0.690 -0.987) 1.409 1.507 ( 0.731 0.690 0.987) 1.409 1.631 ( 0.217 -0.551 -2.039) 2.123 1.631 ( -0.217 -0.551 2.039) 2.123 1.748 ( -1.023 0.369 -2.515) 2.740 1.748 ( 1.023 0.369 2.515) 2.740 1.815 ( 1.574 1.038 -6.250) 6.528 1.815 ( -1.574 1.038 6.250) 6.528 1.958 ( -1.935 3.032 -0.592) 3.645 1.958 ( 1.935 3.032 0.592) 3.645 2.006 ( 0.344 -1.522 -2.045) 2.572 2.006 ( -0.344 -1.522 2.045) 2.572 2.310 ( 0.529 -0.142 -1.850) 1.929 2.310 ( -0.529 -0.142 1.850) 1.929 2.828 ( 0.891 2.705 -0.534) 2.897 2.828 ( -0.891 2.705 0.534) 2.897 2.903 ( 0.514 -2.177 -1.118) 2.501 2.903 ( -0.514 -2.177 1.118) 2.501 3.140 ( 0.293 0.082 -0.639) 0.707 3.140 ( -0.293 0.082 0.639) 0.707 3.210 ( 0.009 0.375 -0.737) 0.827 3.210 ( -0.009 0.375 0.737) 0.827 3.607 ( 0.113 0.130 -0.230) 0.287 3.607 ( -0.113 0.130 0.230) 0.287 3.903 ( -0.556 0.841 -1.845) 2.103 3.903 ( 0.556 0.841 1.845) 2.103 3.984 ( -0.635 -3.666 -1.023) 3.859 3.984 ( 0.635 -3.666 1.023) 3.859 4.239 ( 0.807 1.544 -2.072) 2.707 4.239 ( -0.807 1.544 2.072) 2.707 4.732 ( -1.001 4.005 -1.506) 4.394 4.732 ( 1.001 4.005 1.506) 4.394 4.786 ( 0.463 -0.910 -3.219) 3.376 4.786 ( -0.463 -0.910 3.219) 3.376 5.190 ( -0.086 2.171 -0.528) 2.236 5.190 ( 0.086 2.171 0.528) 2.236 5.269 ( 0.046 -3.373 -0.906) 3.493 5.269 ( -0.046 -3.373 0.906) 3.493 5.662 ( 1.335 1.162 -4.292) 4.643 5.662 ( -1.335 1.162 4.292) 4.643 5.703 ( 1.161 0.813 -3.287) 3.580 5.703 ( -1.161 0.814 3.287) 3.580 6.299 ( 0.690 -0.090 -2.234) 2.340 6.299 ( -0.690 -0.090 2.234) 2.340 6.684 ( -0.005 0.948 -0.759) 1.215 6.684 ( 0.005 0.948 0.759) 1.215 6.858 ( 0.293 0.764 -1.243) 1.488 6.858 ( -0.293 0.764 1.243) 1.488 6.986 ( -0.223 -0.232 -0.667) 0.740 6.986 ( 0.223 -0.232 0.667) 0.740 7.576 ( 1.316 -1.237 -2.496) 3.081 7.576 ( -1.316 -1.237 2.496) 3.081 7.618 ( 0.032 -1.744 -2.202) 2.809 7.618 ( -0.032 -1.744 2.202) 2.809 8.003 ( 0.722 1.668 -3.231) 3.707 8.003 ( -0.722 1.668 3.231) 3.707 8.135 ( 1.483 -3.086 -3.430) 4.847 8.135 ( -1.483 -3.086 3.430) 4.847 11.430 ( -0.061 -0.161 -0.117) 0.208 11.430 ( 0.061 -0.161 0.117) 0.208 11.480 ( -0.052 -1.300 -0.074) 1.303 11.480 ( 0.052 -1.300 0.074) 1.303 14.759 ( 0.471 0.617 -0.383) 0.866 14.759 ( -0.471 0.617 0.383) 0.866 14.812 ( -0.181 -0.531 -0.154) 0.581 14.812 ( 0.181 -0.531 0.154) 0.581 15.426 ( -0.372 2.290 -0.241) 2.332 15.426 ( 0.372 2.290 0.241) 2.332 15.583 ( 0.134 2.250 -1.590) 2.759 15.583 ( -0.134 2.250 1.590) 2.759 16.093 ( -0.156 -0.542 -2.380) 2.446 16.093 ( 0.156 -0.542 2.380) 2.446 16.267 ( 2.718 -3.787 -2.539) 5.308 16.267 ( -2.718 -3.787 2.539) 5.308 ======================= Grid point 117 (54/56) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 0.383 4.909 1.889) 5.274 0.926 ( 2.880 0.867 0.430) 3.039 0.976 ( -0.570 -0.339 0.507) 0.835 1.012 ( 1.811 -2.108 -2.125) 3.498 1.100 ( 0.828 6.293 -4.369) 7.706 1.124 ( -0.206 4.553 2.951) 5.429 1.264 ( -1.678 4.299 -0.806) 4.685 1.266 ( -2.061 3.203 0.457) 3.836 1.352 ( -0.041 -4.541 -1.538) 4.794 1.381 ( -0.344 -5.296 1.009) 5.402 1.482 ( -0.892 2.151 -0.609) 2.407 1.514 ( 0.280 -0.856 -0.918) 1.286 1.657 ( 0.768 1.882 1.603) 2.589 1.668 ( 1.193 0.868 4.517) 4.752 1.698 ( 0.118 0.436 -3.136) 3.169 1.717 ( -2.563 -1.285 -1.794) 3.382 1.850 ( 2.138 2.199 1.367) 3.358 1.875 ( 1.895 0.175 0.258) 1.920 1.921 ( -0.694 4.671 2.180) 5.201 1.983 ( 0.537 1.779 0.871) 2.052 2.007 ( 1.801 -2.670 -3.238) 4.567 2.020 ( 0.545 -1.925 1.867) 2.736 2.296 ( -0.618 1.334 -0.432) 1.532 2.323 ( 0.782 -1.066 -0.832) 1.562 2.810 ( -1.290 3.235 0.850) 3.585 2.831 ( -0.310 2.286 -0.372) 2.337 2.893 ( -0.655 -2.128 0.265) 2.243 2.906 ( -0.047 -2.522 -0.784) 2.642 3.148 ( 0.708 0.470 0.969) 1.289 3.151 ( 0.718 0.237 1.002) 1.255 3.212 ( 0.537 1.070 0.035) 1.198 3.229 ( 1.290 -0.395 -0.022) 1.349 3.603 ( -0.269 0.180 -0.358) 0.483 3.605 ( -0.196 0.092 -0.359) 0.419 3.865 ( -1.933 1.128 -0.490) 2.291 3.902 ( -1.843 -1.884 -0.223) 2.645 3.977 ( 0.669 -1.067 0.577) 1.386 4.004 ( 0.583 -2.995 0.124) 3.054 4.234 ( -0.927 1.350 1.798) 2.432 4.239 ( 0.620 1.041 -2.208) 2.519 4.694 ( -1.722 5.094 -0.404) 5.392 4.749 ( -0.048 3.153 0.445) 3.185 4.772 ( -0.123 -1.597 -2.282) 2.788 4.795 ( -0.445 -0.990 1.625) 1.954 5.185 ( -0.103 2.296 -0.204) 2.307 5.194 ( -0.030 2.208 0.347) 2.235 5.261 ( -0.288 -2.746 0.191) 2.768 5.277 ( 0.116 -3.446 0.460) 3.478 5.652 ( -0.069 1.441 -0.721) 1.613 5.668 ( 0.478 0.249 -1.346) 1.450 5.701 ( -0.321 1.642 2.069) 2.661 5.718 ( 0.811 0.362 -0.371) 0.963 6.303 ( 0.636 0.456 0.059) 0.784 6.311 ( 0.746 -0.317 0.503) 0.954 6.679 ( 0.048 1.433 -0.192) 1.446 6.693 ( 0.354 0.339 0.296) 0.573 6.851 ( -0.250 1.228 -0.697) 1.434 6.859 ( -0.216 0.506 0.103) 0.560 6.968 ( -1.023 0.460 -0.570) 1.258 6.985 ( -0.711 -1.012 0.360) 1.288 7.562 ( -0.506 -0.322 0.243) 0.648 7.579 ( 0.850 -1.784 -3.323) 3.866 7.614 ( 0.207 0.102 1.556) 1.573 7.650 ( 0.795 -3.322 2.838) 4.441 7.991 ( 0.134 2.190 -3.117) 3.811 8.001 ( -1.468 0.888 2.891) 3.362 8.113 ( -1.860 -2.084 1.474) 3.158 8.139 ( 0.359 -4.029 -2.492) 4.751 11.428 ( -0.090 -0.148 -0.021) 0.174 11.431 ( -0.020 -0.359 0.073) 0.367 11.478 ( -0.077 -1.126 -0.111) 1.134 11.480 ( -0.023 -1.233 -0.065) 1.235 14.756 ( -0.043 1.044 0.514) 1.165 14.768 ( 0.705 0.109 -0.449) 0.843 14.810 ( 0.053 -0.182 -0.066) 0.201 14.818 ( 0.320 -0.707 0.016) 0.776 15.417 ( -0.369 2.858 0.045) 2.882 15.434 ( 0.244 1.483 0.137) 1.509 15.565 ( -0.908 3.003 -1.446) 3.454 15.580 ( -0.903 1.617 0.600) 1.947 16.072 ( -0.964 1.067 -0.644) 1.575 16.100 ( -1.018 -1.381 2.515) 3.044 16.247 ( -0.839 -1.653 2.450) 3.072 16.301 ( 2.577 -6.535 -3.304) 7.763 ======================= Grid point 118 (55/56) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 2.395 3.456 3.073) 5.208 0.964 ( -0.145 -1.303 1.783) 2.213 0.996 ( 3.272 1.912 -0.456) 3.817 1.030 ( 1.623 -1.006 -2.339) 3.020 1.090 ( 0.963 7.219 -3.697) 8.168 1.131 ( -1.002 4.162 2.171) 4.800 1.223 ( -2.340 4.742 1.069) 5.395 1.233 ( -1.523 2.549 -0.872) 3.095 1.347 ( 0.597 -5.478 -1.734) 5.777 1.372 ( -1.217 -5.868 1.523) 6.184 1.476 ( 0.291 2.553 -0.178) 2.576 1.508 ( -0.113 -0.252 -2.227) 2.244 1.615 ( -2.143 1.912 -1.355) 3.176 1.648 ( -3.325 -1.211 0.111) 3.541 1.742 ( 2.939 1.955 1.921) 4.019 1.754 ( 3.600 1.156 2.353) 4.453 1.848 ( -0.812 2.030 -0.318) 2.209 1.879 ( -0.498 -0.182 -1.327) 1.429 1.953 ( 0.088 2.273 1.809) 2.906 1.976 ( -1.130 0.198 -0.971) 1.503 2.034 ( 3.142 -0.039 -0.662) 3.212 2.070 ( 2.370 -2.870 2.553) 4.513 2.286 ( 0.097 2.064 -0.614) 2.156 2.323 ( -0.311 -1.189 -1.156) 1.687 2.798 ( -0.629 3.461 1.028) 3.664 2.817 ( -0.830 2.562 -0.486) 2.737 2.885 ( -0.334 -2.567 0.085) 2.590 2.895 ( -0.541 -2.888 -0.656) 3.010 3.169 ( 1.017 1.314 0.629) 1.777 3.177 ( 0.877 1.079 1.515) 2.057 3.225 ( 0.683 0.650 0.678) 1.161 3.247 ( 0.810 -0.947 -0.845) 1.506 3.595 ( -0.084 0.236 -0.989) 1.020 3.598 ( -0.499 0.039 0.196) 0.538 3.835 ( -1.085 0.517 0.197) 1.218 3.859 ( -2.088 -1.664 -0.500) 2.716 3.995 ( 0.677 -0.489 0.691) 1.084 4.008 ( 0.048 -1.479 -0.232) 1.498 4.227 ( -0.905 0.871 1.832) 2.221 4.235 ( 0.337 0.321 -2.305) 2.352 4.678 ( 0.111 4.862 0.451) 4.884 4.740 ( -1.648 2.685 -0.066) 3.151 4.755 ( 0.572 -1.525 -2.222) 2.756 4.786 ( -1.322 -1.201 1.147) 2.122 5.184 ( 0.116 2.511 0.026) 2.514 5.192 ( -0.237 2.374 0.155) 2.391 5.263 ( 0.219 -2.320 0.371) 2.360 5.278 ( -0.334 -3.061 0.376) 3.102 5.654 ( 0.601 1.240 -0.335) 1.418 5.669 ( 0.443 0.173 -1.367) 1.447 5.709 ( -0.273 1.466 2.227) 2.681 5.723 ( 0.207 0.365 -0.883) 0.978 6.318 ( 0.937 0.731 -0.063) 1.190 6.326 ( 0.411 -0.006 0.671) 0.787 6.684 ( 0.535 1.352 -0.075) 1.456 6.698 ( -0.005 0.274 0.188) 0.333 6.844 ( -0.006 1.520 -0.763) 1.701 6.853 ( -0.550 0.846 0.126) 1.017 6.950 ( -0.443 0.203 -0.561) 0.744 6.968 ( -1.273 -1.276 0.351) 1.836 7.565 ( 0.296 0.259 0.966) 1.043 7.576 ( 0.853 -0.803 -2.638) 2.886 7.631 ( 1.004 -0.243 0.414) 1.113 7.667 ( -0.800 -3.342 2.602) 4.310 7.975 ( 0.228 2.255 -2.974) 3.739 7.985 ( -1.872 0.927 2.283) 3.095 8.096 ( -1.009 -2.333 2.241) 3.389 8.123 ( -0.240 -4.268 -2.906) 5.169 11.427 ( -0.003 -0.314 0.056) 0.319 11.430 ( -0.102 -0.523 -0.000) 0.532 11.477 ( -0.021 -0.908 -0.008) 0.908 11.479 ( -0.049 -1.026 -0.157) 1.039 14.763 ( 0.410 1.188 0.896) 1.543 14.777 ( 0.562 0.224 -0.565) 0.828 14.811 ( 0.076 -0.204 -0.007) 0.218 14.820 ( -0.010 -0.767 -0.277) 0.815 15.416 ( 0.126 2.863 0.414) 2.896 15.435 ( -0.129 1.240 -0.222) 1.266 15.541 ( -0.654 3.139 -0.927) 3.338 15.560 ( -1.418 1.456 0.095) 2.034 16.059 ( -0.295 2.216 0.677) 2.336 16.088 ( -1.278 0.328 0.818) 1.552 16.263 ( 0.419 -3.345 3.536) 4.885 16.313 ( 1.047 -7.357 -4.086) 8.481 ======================= Grid point 119 (56/56) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -0.885 1.007 -0.965) 1.652 0.959 ( 0.885 1.007 0.965) 1.652 1.037 ( 0.093 0.714 -2.450) 2.553 1.037 ( -0.093 0.714 2.450) 2.553 1.106 ( 2.542 4.981 -1.767) 5.864 1.106 ( -2.542 4.981 1.767) 5.864 1.208 ( -0.046 3.663 -1.379) 3.915 1.208 ( 0.046 3.663 1.379) 3.915 1.357 ( 1.325 -5.207 -1.255) 5.518 1.357 ( -1.325 -5.207 1.255) 5.518 1.487 ( 0.317 2.186 -2.343) 3.220 1.487 ( -0.317 2.186 2.343) 3.220 1.603 ( 1.050 -0.902 -2.005) 2.436 1.603 ( -1.050 -0.902 2.005) 2.436 1.792 ( -0.016 3.405 -2.259) 4.086 1.792 ( 0.016 3.405 2.259) 4.086 1.853 ( -1.155 -0.446 -1.625) 2.043 1.853 ( 1.155 -0.446 1.625) 2.043 1.952 ( 0.179 -0.280 -1.962) 1.990 1.952 ( -0.179 -0.280 1.962) 1.990 2.087 ( 1.027 -0.119 -1.655) 1.952 2.087 ( -1.027 -0.119 1.655) 1.952 2.300 ( -1.021 0.162 -0.744) 1.274 2.300 ( 1.021 0.162 0.744) 1.274 2.801 ( -0.334 3.173 -0.874) 3.308 2.801 ( 0.334 3.173 0.874) 3.308 2.884 ( 0.305 -2.951 -1.159) 3.185 2.884 ( -0.305 -2.951 1.159) 3.185 3.186 ( -0.070 1.986 -0.521) 2.054 3.186 ( 0.070 1.986 0.521) 2.054 3.244 ( -0.278 -0.825 -1.755) 1.959 3.244 ( 0.278 -0.825 1.755) 1.959 3.592 ( 0.429 0.143 -1.030) 1.125 3.592 ( -0.429 0.143 1.030) 1.125 3.832 ( 0.006 -0.451 -1.150) 1.235 3.832 ( -0.006 -0.451 1.150) 1.235 4.006 ( -0.107 -0.648 -0.500) 0.826 4.006 ( 0.107 -0.648 0.500) 0.826 4.227 ( 0.424 0.322 -2.204) 2.267 4.227 ( -0.424 0.322 2.204) 2.267 4.701 ( -1.599 3.229 -1.106) 3.768 4.701 ( 1.598 3.229 1.106) 3.768 4.766 ( 1.288 -0.980 -1.343) 2.103 4.766 ( -1.288 -0.980 1.343) 2.103 5.188 ( 0.061 2.552 -0.407) 2.585 5.188 ( -0.061 2.552 0.407) 2.585 5.271 ( -0.042 -2.553 -0.494) 2.600 5.271 ( 0.042 -2.553 0.494) 2.600 5.665 ( 1.151 0.739 -3.836) 4.072 5.665 ( -1.151 0.739 3.836) 4.072 5.717 ( 0.635 0.787 -2.887) 3.059 5.717 ( -0.635 0.787 2.887) 3.059 6.330 ( 0.766 0.497 -2.236) 2.415 6.330 ( -0.766 0.497 2.236) 2.415 6.694 ( 0.086 0.816 -0.522) 0.972 6.694 ( -0.086 0.816 0.522) 0.972 6.844 ( 0.559 1.397 -1.491) 2.119 6.844 ( -0.559 1.397 1.491) 2.119 6.950 ( 0.589 -0.773 -0.446) 1.070 6.950 ( -0.589 -0.773 0.446) 1.070 7.575 ( 0.499 0.219 -2.374) 2.436 7.575 ( -0.499 0.219 2.374) 2.436 7.654 ( 1.424 -2.007 -1.332) 2.798 7.654 ( -1.424 -2.007 1.332) 2.798 7.970 ( 1.261 1.788 -3.201) 3.877 7.970 ( -1.261 1.788 3.201) 3.877 8.103 ( 0.554 -3.580 -3.821) 5.265 8.103 ( -0.554 -3.580 3.821) 5.265 11.428 ( -0.080 -0.489 -0.060) 0.499 11.428 ( 0.080 -0.489 0.060) 0.499 11.477 ( -0.027 -0.875 -0.125) 0.885 11.477 ( 0.027 -0.875 0.125) 0.885 14.776 ( -0.199 0.964 -0.986) 1.393 14.776 ( 0.199 0.964 0.986) 1.393 14.815 ( -0.234 -0.700 -0.386) 0.833 14.815 ( 0.234 -0.700 0.386) 0.833 15.426 ( -0.428 2.149 -0.681) 2.295 15.426 ( 0.428 2.149 0.681) 2.295 15.539 ( -0.071 2.136 -0.379) 2.171 15.539 ( 0.071 2.136 0.379) 2.171 16.069 ( 0.499 2.077 -2.617) 3.378 16.069 ( -0.499 2.077 2.617) 3.378 16.294 ( -0.121 -6.071 -4.454) 7.531 16.294 ( 0.121 -6.071 4.454) 7.531 =================== 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 3/14112 10.0 13.116 13.031 11.324 0.000 1.426 0.000 3/14112 20.0 2.823 3.642 2.732 0.000 0.150 0.000 3/14112 30.0 1.484 2.038 1.522 0.000 0.031 0.000 3/14112 40.0 1.008 1.421 1.068 0.000 0.002 0.000 3/14112 50.0 0.767 1.099 0.834 0.000 -0.009 0.000 3/14112 60.0 0.622 0.901 0.692 0.000 -0.015 0.000 3/14112 70.0 0.525 0.766 0.597 0.000 -0.018 0.000 3/14112 80.0 0.455 0.669 0.528 0.000 -0.019 0.000 3/14112 90.0 0.402 0.595 0.475 0.000 -0.020 0.000 3/14112 100.0 0.361 0.537 0.434 0.000 -0.021 0.000 3/14112 110.0 0.328 0.491 0.400 0.000 -0.021 0.000 3/14112 120.0 0.300 0.452 0.371 0.000 -0.021 0.000 3/14112 130.0 0.278 0.421 0.347 0.000 -0.021 0.000 3/14112 140.0 0.258 0.394 0.326 0.000 -0.020 0.000 3/14112 150.0 0.242 0.371 0.308 0.000 -0.020 0.000 3/14112 160.0 0.228 0.351 0.292 0.000 -0.019 0.000 3/14112 170.0 0.215 0.333 0.278 0.000 -0.019 0.000 3/14112 180.0 0.204 0.318 0.265 0.000 -0.018 0.000 3/14112 190.0 0.194 0.304 0.254 0.000 -0.018 0.000 3/14112 200.0 0.185 0.292 0.243 0.000 -0.017 0.000 3/14112 210.0 0.177 0.281 0.233 0.000 -0.017 0.000 3/14112 220.0 0.170 0.271 0.225 0.000 -0.017 0.000 3/14112 230.0 0.163 0.261 0.217 0.000 -0.016 0.000 3/14112 240.0 0.157 0.253 0.209 0.000 -0.016 0.000 3/14112 250.0 0.151 0.245 0.202 0.000 -0.015 0.000 3/14112 260.0 0.146 0.237 0.196 0.000 -0.015 0.000 3/14112 270.0 0.141 0.230 0.190 0.000 -0.014 0.000 3/14112 280.0 0.136 0.224 0.184 0.000 -0.014 0.000 3/14112 290.0 0.132 0.218 0.178 0.000 -0.014 0.000 3/14112 300.0 0.128 0.212 0.173 0.000 -0.013 0.000 3/14112 310.0 0.124 0.207 0.169 0.000 -0.013 0.000 3/14112 320.0 0.121 0.202 0.164 0.000 -0.013 0.000 3/14112 330.0 0.118 0.197 0.160 0.000 -0.013 0.000 3/14112 340.0 0.114 0.192 0.156 0.000 -0.012 0.000 3/14112 350.0 0.111 0.188 0.152 0.000 -0.012 0.000 3/14112 360.0 0.109 0.184 0.148 0.000 -0.012 0.000 3/14112 370.0 0.106 0.180 0.145 0.000 -0.011 0.000 3/14112 380.0 0.103 0.176 0.141 0.000 -0.011 0.000 3/14112 390.0 0.101 0.172 0.138 0.000 -0.011 0.000 3/14112 400.0 0.099 0.169 0.135 0.000 -0.011 0.000 3/14112 410.0 0.096 0.165 0.132 0.000 -0.011 0.000 3/14112 420.0 0.094 0.162 0.129 0.000 -0.010 0.000 3/14112 430.0 0.092 0.159 0.127 0.000 -0.010 0.000 3/14112 440.0 0.090 0.156 0.124 0.000 -0.010 0.000 3/14112 450.0 0.088 0.153 0.122 0.000 -0.010 0.000 3/14112 460.0 0.087 0.150 0.119 0.000 -0.010 0.000 3/14112 470.0 0.085 0.148 0.117 0.000 -0.009 0.000 3/14112 480.0 0.083 0.145 0.115 0.000 -0.009 0.000 3/14112 490.0 0.082 0.143 0.113 0.000 -0.009 0.000 3/14112 500.0 0.080 0.140 0.111 0.000 -0.009 0.000 3/14112 510.0 0.079 0.138 0.109 0.000 -0.009 0.000 3/14112 520.0 0.077 0.136 0.107 0.000 -0.009 0.000 3/14112 530.0 0.076 0.134 0.105 0.000 -0.009 0.000 3/14112 540.0 0.075 0.131 0.103 0.000 -0.008 0.000 3/14112 550.0 0.073 0.129 0.102 0.000 -0.008 0.000 3/14112 560.0 0.072 0.127 0.100 0.000 -0.008 0.000 3/14112 570.0 0.071 0.126 0.098 0.000 -0.008 0.000 3/14112 580.0 0.070 0.124 0.097 0.000 -0.008 0.000 3/14112 590.0 0.069 0.122 0.095 0.000 -0.008 0.000 3/14112 600.0 0.068 0.120 0.094 0.000 -0.008 0.000 3/14112 610.0 0.067 0.118 0.092 0.000 -0.008 0.000 3/14112 620.0 0.066 0.117 0.091 0.000 -0.007 0.000 3/14112 630.0 0.065 0.115 0.090 0.000 -0.007 0.000 3/14112 640.0 0.064 0.114 0.088 0.000 -0.007 0.000 3/14112 650.0 0.063 0.112 0.087 0.000 -0.007 0.000 3/14112 660.0 0.062 0.111 0.086 0.000 -0.007 0.000 3/14112 670.0 0.061 0.109 0.085 0.000 -0.007 0.000 3/14112 680.0 0.060 0.108 0.083 0.000 -0.007 0.000 3/14112 690.0 0.059 0.106 0.082 0.000 -0.007 0.000 3/14112 700.0 0.058 0.105 0.081 0.000 -0.007 0.000 3/14112 710.0 0.058 0.104 0.080 0.000 -0.007 0.000 3/14112 720.0 0.057 0.103 0.079 0.000 -0.006 0.000 3/14112 730.0 0.056 0.101 0.078 0.000 -0.006 0.000 3/14112 740.0 0.055 0.100 0.077 0.000 -0.006 0.000 3/14112 750.0 0.055 0.099 0.076 0.000 -0.006 0.000 3/14112 760.0 0.054 0.098 0.075 0.000 -0.006 0.000 3/14112 770.0 0.053 0.097 0.074 0.000 -0.006 0.000 3/14112 780.0 0.053 0.096 0.073 0.000 -0.006 0.000 3/14112 790.0 0.052 0.094 0.072 0.000 -0.006 0.000 3/14112 800.0 0.051 0.093 0.072 0.000 -0.006 0.000 3/14112 810.0 0.051 0.092 0.071 0.000 -0.006 0.000 3/14112 820.0 0.050 0.091 0.070 0.000 -0.006 0.000 3/14112 830.0 0.050 0.090 0.069 0.000 -0.006 0.000 3/14112 840.0 0.049 0.089 0.068 0.000 -0.006 0.000 3/14112 850.0 0.049 0.089 0.068 0.000 -0.006 0.000 3/14112 860.0 0.048 0.088 0.067 0.000 -0.006 0.000 3/14112 870.0 0.047 0.087 0.066 0.000 -0.005 0.000 3/14112 880.0 0.047 0.086 0.065 0.000 -0.005 0.000 3/14112 890.0 0.046 0.085 0.065 0.000 -0.005 0.000 3/14112 900.0 0.046 0.084 0.064 0.000 -0.005 0.000 3/14112 910.0 0.045 0.083 0.063 0.000 -0.005 0.000 3/14112 920.0 0.045 0.082 0.063 0.000 -0.005 0.000 3/14112 930.0 0.045 0.082 0.062 0.000 -0.005 0.000 3/14112 940.0 0.044 0.081 0.061 0.000 -0.005 0.000 3/14112 950.0 0.044 0.080 0.061 0.000 -0.005 0.000 3/14112 960.0 0.043 0.079 0.060 0.000 -0.005 0.000 3/14112 970.0 0.043 0.079 0.060 0.000 -0.005 0.000 3/14112 980.0 0.042 0.078 0.059 0.000 -0.005 0.000 3/14112 990.0 0.042 0.077 0.058 0.000 -0.005 0.000 3/14112 1000.0 0.042 0.076 0.058 0.000 -0.005 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m674.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:18:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|