----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:53:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.159452610000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.393050309999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.130409629999999 Atomic positions (fractional): *1 O 0.11340332683184 0.25000000000000 0.74513278323583 15.999 2 O 0.88659667316816 0.75000000000000 0.25486721676417 15.999 3 O 0.61340332683184 0.25000000000000 0.75486721676417 15.999 4 O 0.38659667316816 0.75000000000000 0.24513278323584 15.999 *5 O 0.03801996325567 0.75000000000000 0.83392893346736 15.999 6 O 0.96198003674433 0.25000000000000 0.16607106653264 15.999 7 O 0.53801996325567 0.75000000000000 0.66607106653264 15.999 8 O 0.46198003674433 0.25000000000000 0.33392893346736 15.999 *9 O 0.32813647419427 0.55076813952228 0.70103585961640 15.999 10 O 0.67186352580572 0.05076813952228 0.29896414038360 15.999 11 O 0.82813647419428 0.55076813952228 0.79896414038360 15.999 12 O 0.17186352580573 0.05076813952228 0.20103585961640 15.999 13 O 0.17186352580573 0.44923186047772 0.20103585961640 15.999 14 O 0.82813647419428 0.94923186047772 0.79896414038360 15.999 15 O 0.67186352580572 0.44923186047772 0.29896414038360 15.999 16 O 0.32813647419427 0.94923186047772 0.70103585961640 15.999 *17 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 18 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 19 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 *21 Si 0.40009482417835 0.75000000000000 0.55979549077754 28.085 22 Si 0.90009482417835 0.75000000000000 0.94020450922246 28.085 23 Si 0.59990517582165 0.25000000000000 0.44020450922246 28.085 24 Si 0.09990517582165 0.25000000000000 0.05979549077754 28.085 *25 Y 0.28008066656439 0.25000000000000 0.49732901997201 88.906 26 Y 0.71991933343561 0.75000000000000 0.50267098002799 88.906 27 Y 0.78008066656439 0.25000000000000 0.00267098002799 88.906 28 Y 0.21991933343561 0.75000000000000 0.99732901997201 88.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.159452610000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.393050309999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.130409629999999 Atomic positions (fractional): *1 O 0.11340332683184 0.25000000000000 0.74513278323583 15.999 > 1 2 O 0.88659667316816 0.75000000000000 0.25486721676417 15.999 > 2 3 O 0.61340332683184 0.25000000000000 0.75486721676417 15.999 > 3 4 O 0.38659667316816 0.75000000000000 0.24513278323584 15.999 > 4 *5 O 0.03801996325567 0.75000000000000 0.83392893346736 15.999 > 5 6 O 0.96198003674433 0.25000000000000 0.16607106653264 15.999 > 6 7 O 0.53801996325567 0.75000000000000 0.66607106653264 15.999 > 7 8 O 0.46198003674433 0.25000000000000 0.33392893346736 15.999 > 8 *9 O 0.32813647419427 0.55076813952228 0.70103585961640 15.999 > 9 10 O 0.67186352580572 0.05076813952228 0.29896414038360 15.999 > 10 11 O 0.82813647419428 0.55076813952228 0.79896414038360 15.999 > 11 12 O 0.17186352580573 0.05076813952228 0.20103585961640 15.999 > 12 13 O 0.17186352580573 0.44923186047772 0.20103585961640 15.999 > 13 14 O 0.82813647419428 0.94923186047772 0.79896414038360 15.999 > 14 15 O 0.67186352580572 0.44923186047772 0.29896414038360 15.999 > 15 16 O 0.32813647419427 0.94923186047772 0.70103585961640 15.999 > 16 *17 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 17 18 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 18 19 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 19 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 20 *21 Si 0.40009482417835 0.75000000000000 0.55979549077754 28.085 > 21 22 Si 0.90009482417835 0.75000000000000 0.94020450922246 28.085 > 22 23 Si 0.59990517582165 0.25000000000000 0.44020450922246 28.085 > 23 24 Si 0.09990517582165 0.25000000000000 0.05979549077754 28.085 > 24 *25 Y 0.28008066656439 0.25000000000000 0.49732901997201 88.906 > 25 26 Y 0.71991933343561 0.75000000000000 0.50267098002799 88.906 > 26 27 Y 0.78008066656439 0.25000000000000 0.00267098002799 88.906 > 27 28 Y 0.21991933343561 0.75000000000000 0.99732901997201 88.906 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.159452610000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.786100619999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.260819259999998 Atomic positions (fractional): *1 O 0.11340332683184 0.12500000000000 0.37256639161792 15.999 > 1 2 O 0.11340332683184 0.62500000000000 0.37256639161792 15.999 > 1 3 O 0.11340332683184 0.12500000000000 0.87256639161792 15.999 > 1 4 O 0.11340332683184 0.62500000000000 0.87256639161792 15.999 > 1 5 O 0.88659667316816 0.37500000000000 0.12743360838208 15.999 > 2 6 O 0.88659667316816 0.87500000000000 0.12743360838208 15.999 > 2 7 O 0.88659667316816 0.37500000000000 0.62743360838208 15.999 > 2 8 O 0.88659667316816 0.87500000000000 0.62743360838208 15.999 > 2 9 O 0.61340332683184 0.12500000000000 0.37743360838208 15.999 > 3 10 O 0.61340332683184 0.62500000000000 0.37743360838208 15.999 > 3 11 O 0.61340332683184 0.12500000000000 0.87743360838208 15.999 > 3 12 O 0.61340332683184 0.62500000000000 0.87743360838208 15.999 > 3 13 O 0.38659667316816 0.37500000000000 0.12256639161792 15.999 > 4 14 O 0.38659667316816 0.87500000000000 0.12256639161792 15.999 > 4 15 O 0.38659667316816 0.37500000000000 0.62256639161792 15.999 > 4 16 O 0.38659667316816 0.87500000000000 0.62256639161792 15.999 > 4 *17 O 0.03801996325567 0.37500000000000 0.41696446673368 15.999 > 5 18 O 0.03801996325567 0.87500000000000 0.41696446673368 15.999 > 5 19 O 0.03801996325567 0.37500000000000 0.91696446673368 15.999 > 5 20 O 0.03801996325567 0.87500000000000 0.91696446673368 15.999 > 5 21 O 0.96198003674433 0.12500000000000 0.08303553326632 15.999 > 6 22 O 0.96198003674433 0.62500000000000 0.08303553326632 15.999 > 6 23 O 0.96198003674433 0.12500000000000 0.58303553326632 15.999 > 6 24 O 0.96198003674433 0.62500000000000 0.58303553326632 15.999 > 6 25 O 0.53801996325567 0.37500000000000 0.33303553326632 15.999 > 7 26 O 0.53801996325567 0.87500000000000 0.33303553326632 15.999 > 7 27 O 0.53801996325567 0.37500000000000 0.83303553326632 15.999 > 7 28 O 0.53801996325567 0.87500000000000 0.83303553326632 15.999 > 7 29 O 0.46198003674433 0.12500000000000 0.16696446673368 15.999 > 8 30 O 0.46198003674433 0.62500000000000 0.16696446673368 15.999 > 8 31 O 0.46198003674433 0.12500000000000 0.66696446673368 15.999 > 8 32 O 0.46198003674433 0.62500000000000 0.66696446673368 15.999 > 8 *33 O 0.32813647419427 0.27538406976114 0.35051792980820 15.999 > 9 34 O 0.32813647419427 0.77538406976114 0.35051792980820 15.999 > 9 35 O 0.32813647419427 0.27538406976114 0.85051792980820 15.999 > 9 36 O 0.32813647419427 0.77538406976114 0.85051792980820 15.999 > 9 37 O 0.67186352580572 0.02538406976114 0.14948207019180 15.999 > 10 38 O 0.67186352580572 0.52538406976114 0.14948207019180 15.999 > 10 39 O 0.67186352580572 0.02538406976114 0.64948207019180 15.999 > 10 40 O 0.67186352580572 0.52538406976114 0.64948207019180 15.999 > 10 41 O 0.82813647419428 0.27538406976114 0.39948207019180 15.999 > 11 42 O 0.82813647419428 0.77538406976114 0.39948207019180 15.999 > 11 43 O 0.82813647419428 0.27538406976114 0.89948207019180 15.999 > 11 44 O 0.82813647419428 0.77538406976114 0.89948207019180 15.999 > 11 45 O 0.17186352580573 0.02538406976114 0.10051792980820 15.999 > 12 46 O 0.17186352580573 0.52538406976114 0.10051792980820 15.999 > 12 47 O 0.17186352580573 0.02538406976114 0.60051792980820 15.999 > 12 48 O 0.17186352580573 0.52538406976114 0.60051792980820 15.999 > 12 49 O 0.17186352580573 0.22461593023886 0.10051792980820 15.999 > 13 50 O 0.17186352580573 0.72461593023886 0.10051792980820 15.999 > 13 51 O 0.17186352580573 0.22461593023886 0.60051792980820 15.999 > 13 52 O 0.17186352580573 0.72461593023886 0.60051792980820 15.999 > 13 53 O 0.82813647419428 0.47461593023886 0.39948207019180 15.999 > 14 54 O 0.82813647419428 0.97461593023886 0.39948207019180 15.999 > 14 55 O 0.82813647419428 0.47461593023886 0.89948207019180 15.999 > 14 56 O 0.82813647419428 0.97461593023886 0.89948207019180 15.999 > 14 57 O 0.67186352580572 0.22461593023886 0.14948207019180 15.999 > 15 58 O 0.67186352580572 0.72461593023886 0.14948207019180 15.999 > 15 59 O 0.67186352580572 0.22461593023886 0.64948207019180 15.999 > 15 60 O 0.67186352580572 0.72461593023886 0.64948207019180 15.999 > 15 61 O 0.32813647419427 0.47461593023886 0.35051792980820 15.999 > 16 62 O 0.32813647419427 0.97461593023886 0.35051792980820 15.999 > 16 63 O 0.32813647419427 0.47461593023886 0.85051792980820 15.999 > 16 64 O 0.32813647419427 0.97461593023886 0.85051792980820 15.999 > 16 *65 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 17 66 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 17 67 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 17 68 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 17 69 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 18 70 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 18 71 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 18 72 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 18 73 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 19 74 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 19 75 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 19 76 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 19 77 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 20 78 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 20 79 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 20 80 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 20 *81 Si 0.40009482417835 0.37500000000000 0.27989774538877 28.085 > 21 82 Si 0.40009482417835 0.87500000000000 0.27989774538877 28.085 > 21 83 Si 0.40009482417835 0.37500000000000 0.77989774538877 28.085 > 21 84 Si 0.40009482417835 0.87500000000000 0.77989774538877 28.085 > 21 85 Si 0.90009482417835 0.37500000000000 0.47010225461123 28.085 > 22 86 Si 0.90009482417835 0.87500000000000 0.47010225461123 28.085 > 22 87 Si 0.90009482417835 0.37500000000000 0.97010225461123 28.085 > 22 88 Si 0.90009482417835 0.87500000000000 0.97010225461123 28.085 > 22 89 Si 0.59990517582165 0.12500000000000 0.22010225461123 28.085 > 23 90 Si 0.59990517582165 0.62500000000000 0.22010225461123 28.085 > 23 91 Si 0.59990517582165 0.12500000000000 0.72010225461123 28.085 > 23 92 Si 0.59990517582165 0.62500000000000 0.72010225461123 28.085 > 23 93 Si 0.09990517582165 0.12500000000000 0.02989774538877 28.085 > 24 94 Si 0.09990517582165 0.62500000000000 0.02989774538877 28.085 > 24 95 Si 0.09990517582165 0.12500000000000 0.52989774538877 28.085 > 24 96 Si 0.09990517582165 0.62500000000000 0.52989774538877 28.085 > 24 *97 Y 0.28008066656439 0.12500000000000 0.24866450998600 88.906 > 25 98 Y 0.28008066656439 0.62500000000000 0.24866450998600 88.906 > 25 99 Y 0.28008066656439 0.12500000000000 0.74866450998600 88.906 > 25 100 Y 0.28008066656439 0.62500000000000 0.74866450998600 88.906 > 25 101 Y 0.71991933343561 0.37500000000000 0.25133549001400 88.906 > 26 102 Y 0.71991933343561 0.87500000000000 0.25133549001400 88.906 > 26 103 Y 0.71991933343561 0.37500000000000 0.75133549001400 88.906 > 26 104 Y 0.71991933343561 0.87500000000000 0.75133549001400 88.906 > 26 105 Y 0.78008066656439 0.12500000000000 0.00133549001400 88.906 > 27 106 Y 0.78008066656439 0.62500000000000 0.00133549001400 88.906 > 27 107 Y 0.78008066656439 0.12500000000000 0.50133549001400 88.906 > 27 108 Y 0.78008066656439 0.62500000000000 0.50133549001400 88.906 > 27 109 Y 0.21991933343561 0.37500000000000 0.49866450998600 88.906 > 28 110 Y 0.21991933343561 0.87500000000000 0.49866450998600 88.906 > 28 111 Y 0.21991933343561 0.37500000000000 0.99866450998600 88.906 > 28 112 Y 0.21991933343561 0.87500000000000 0.99866450998600 88.906 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1503822 0.0000000 0.0000000 0.0000000 3.0910798 0.0000000 0.0000000 0.0000000 2.9709737 -------------------------- Born effective charges -------------------------- 1 O -1.8381700 0.0000000 0.5384332 0.0000000 -1.3002906 0.0000000 0.5395964 0.0000000 -2.4204998 2 O -1.8381700 0.0000000 0.5384332 0.0000000 -1.3002906 0.0000000 0.5395964 0.0000000 -2.4204998 3 O -1.8381700 0.0000000 -0.5384332 0.0000000 -1.3002906 0.0000000 -0.5395964 0.0000000 -2.4204998 4 O -1.8381700 0.0000000 -0.5384332 0.0000000 -1.3002906 0.0000000 -0.5395964 0.0000000 -2.4204998 5 O -3.1079340 0.0000000 -0.0505423 0.0000000 -1.3592362 0.0000000 -0.1171811 0.0000000 -1.3651175 6 O -3.1079340 0.0000000 -0.0505423 0.0000000 -1.3592362 0.0000000 -0.1171811 0.0000000 -1.3651175 7 O -3.1079340 0.0000000 0.0505423 0.0000000 -1.3592362 0.0000000 0.1171811 0.0000000 -1.3651175 8 O -3.1079340 0.0000000 0.0505423 0.0000000 -1.3592362 0.0000000 0.1171811 0.0000000 -1.3651175 9 O -1.6493203 -0.2873626 0.3275634 -0.3082196 -2.5402040 -0.3215379 0.3923665 -0.2650215 -1.7863254 10 O -1.6493203 0.2873626 0.3275634 0.3082196 -2.5402040 0.3215379 0.3923665 0.2650215 -1.7863254 11 O -1.6493203 -0.2873626 -0.3275634 -0.3082196 -2.5402040 0.3215379 -0.3923665 0.2650215 -1.7863254 12 O -1.6493203 0.2873626 -0.3275634 0.3082196 -2.5402040 -0.3215379 -0.3923665 -0.2650215 -1.7863254 13 O -1.6493203 -0.2873626 -0.3275634 -0.3082196 -2.5402040 0.3215379 -0.3923665 0.2650215 -1.7863254 14 O -1.6493203 0.2873626 -0.3275634 0.3082196 -2.5402040 -0.3215379 -0.3923665 -0.2650215 -1.7863254 15 O -1.6493203 -0.2873626 0.3275634 -0.3082196 -2.5402040 -0.3215379 0.3923665 -0.2650215 -1.7863254 16 O -1.6493203 0.2873626 0.3275634 0.3082196 -2.5402040 0.3215379 0.3923665 0.2650215 -1.7863254 17 Na 1.0689889 -0.1227372 0.0184242 -0.1017935 0.9813550 0.0464502 -0.0103158 0.0580487 1.1636363 18 Na 1.0689889 0.1227372 0.0184242 0.1017935 0.9813550 -0.0464502 -0.0103158 -0.0580487 1.1636363 19 Na 1.0689889 0.1227372 -0.0184242 0.1017935 0.9813550 0.0464502 0.0103158 0.0580487 1.1636363 20 Na 1.0689889 -0.1227372 -0.0184242 -0.1017935 0.9813550 -0.0464502 0.0103158 -0.0580487 1.1636363 21 Si 3.2893042 0.0000000 0.2036162 0.0000000 2.8560198 0.0000000 -0.1379347 0.0000000 2.9030734 22 Si 3.2893042 0.0000000 -0.2036162 0.0000000 2.8560198 0.0000000 0.1379347 0.0000000 2.9030734 23 Si 3.2893042 0.0000000 0.2036162 0.0000000 2.8560198 0.0000000 -0.1379347 0.0000000 2.9030734 24 Si 3.2893042 0.0000000 -0.2036162 0.0000000 2.8560198 0.0000000 0.1379347 0.0000000 2.9030734 25 Y 3.8864514 0.0000000 -0.1610445 0.0000000 3.9025599 0.0000000 -0.0383015 0.0000000 3.2915584 26 Y 3.8864514 0.0000000 -0.1610445 0.0000000 3.9025599 0.0000000 -0.0383015 0.0000000 3.2915584 27 Y 3.8864514 0.0000000 0.1610445 0.0000000 3.9025599 0.0000000 0.0383015 0.0000000 3.2915584 28 Y 3.8864514 0.0000000 0.1610445 0.0000000 3.9025599 0.0000000 0.0383015 0.0000000 3.2915584 ---------------------------------------------------------------------------- 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: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 3.484 Solver_block: 200 / 480 - Time: 3.188 Solver_block: 300 / 480 - Time: 3.560 Solver_block: 400 / 480 - Time: 3.247 Solver_block: 480 / 480 - Time: 2.897 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.648 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:54:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:54:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.159452610000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.393050309999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.130409629999999 Atomic positions (fractional): 1 O 0.11340332683184 0.25000000000000 0.74513278323583 15.999 2 O 0.88659667316816 0.75000000000000 0.25486721676417 15.999 3 O 0.61340332683184 0.25000000000000 0.75486721676417 15.999 4 O 0.38659667316816 0.75000000000000 0.24513278323584 15.999 5 O 0.03801996325567 0.75000000000000 0.83392893346736 15.999 6 O 0.96198003674433 0.25000000000000 0.16607106653264 15.999 7 O 0.53801996325567 0.75000000000000 0.66607106653264 15.999 8 O 0.46198003674433 0.25000000000000 0.33392893346736 15.999 9 O 0.32813647419427 0.55076813952228 0.70103585961640 15.999 10 O 0.67186352580572 0.05076813952228 0.29896414038360 15.999 11 O 0.82813647419428 0.55076813952228 0.79896414038360 15.999 12 O 0.17186352580573 0.05076813952228 0.20103585961640 15.999 13 O 0.17186352580573 0.44923186047772 0.20103585961640 15.999 14 O 0.82813647419428 0.94923186047772 0.79896414038360 15.999 15 O 0.67186352580572 0.44923186047772 0.29896414038360 15.999 16 O 0.32813647419427 0.94923186047772 0.70103585961640 15.999 17 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 18 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 19 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 21 Si 0.40009482417835 0.75000000000000 0.55979549077754 28.085 22 Si 0.90009482417835 0.75000000000000 0.94020450922246 28.085 23 Si 0.59990517582165 0.25000000000000 0.44020450922246 28.085 24 Si 0.09990517582165 0.25000000000000 0.05979549077754 28.085 25 Y 0.28008066656439 0.25000000000000 0.49732901997201 88.906 26 Y 0.71991933343561 0.75000000000000 0.50267098002799 88.906 27 Y 0.78008066656439 0.25000000000000 0.00267098002799 88.906 28 Y 0.21991933343561 0.75000000000000 0.99732901997201 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.159452610000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.786100619999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.260819259999998 Atomic positions (fractional): 1 O 0.11340332683184 0.12500000000000 0.37256639161792 15.999 > 1 2 O 0.11340332683184 0.62500000000000 0.37256639161792 15.999 > 1 3 O 0.11340332683184 0.12500000000000 0.87256639161792 15.999 > 1 4 O 0.11340332683184 0.62500000000000 0.87256639161792 15.999 > 1 5 O 0.88659667316816 0.37500000000000 0.12743360838208 15.999 > 5 6 O 0.88659667316816 0.87500000000000 0.12743360838208 15.999 > 5 7 O 0.88659667316816 0.37500000000000 0.62743360838208 15.999 > 5 8 O 0.88659667316816 0.87500000000000 0.62743360838208 15.999 > 5 9 O 0.61340332683184 0.12500000000000 0.37743360838208 15.999 > 9 10 O 0.61340332683184 0.62500000000000 0.37743360838208 15.999 > 9 11 O 0.61340332683184 0.12500000000000 0.87743360838208 15.999 > 9 12 O 0.61340332683184 0.62500000000000 0.87743360838208 15.999 > 9 13 O 0.38659667316816 0.37500000000000 0.12256639161792 15.999 > 13 14 O 0.38659667316816 0.87500000000000 0.12256639161792 15.999 > 13 15 O 0.38659667316816 0.37500000000000 0.62256639161792 15.999 > 13 16 O 0.38659667316816 0.87500000000000 0.62256639161792 15.999 > 13 17 O 0.03801996325567 0.37500000000000 0.41696446673368 15.999 > 17 18 O 0.03801996325567 0.87500000000000 0.41696446673368 15.999 > 17 19 O 0.03801996325567 0.37500000000000 0.91696446673368 15.999 > 17 20 O 0.03801996325567 0.87500000000000 0.91696446673368 15.999 > 17 21 O 0.96198003674433 0.12500000000000 0.08303553326632 15.999 > 21 22 O 0.96198003674433 0.62500000000000 0.08303553326632 15.999 > 21 23 O 0.96198003674433 0.12500000000000 0.58303553326632 15.999 > 21 24 O 0.96198003674433 0.62500000000000 0.58303553326632 15.999 > 21 25 O 0.53801996325567 0.37500000000000 0.33303553326632 15.999 > 25 26 O 0.53801996325567 0.87500000000000 0.33303553326632 15.999 > 25 27 O 0.53801996325567 0.37500000000000 0.83303553326632 15.999 > 25 28 O 0.53801996325567 0.87500000000000 0.83303553326632 15.999 > 25 29 O 0.46198003674433 0.12500000000000 0.16696446673368 15.999 > 29 30 O 0.46198003674433 0.62500000000000 0.16696446673368 15.999 > 29 31 O 0.46198003674433 0.12500000000000 0.66696446673368 15.999 > 29 32 O 0.46198003674433 0.62500000000000 0.66696446673368 15.999 > 29 33 O 0.32813647419427 0.27538406976114 0.35051792980820 15.999 > 33 34 O 0.32813647419427 0.77538406976114 0.35051792980820 15.999 > 33 35 O 0.32813647419427 0.27538406976114 0.85051792980820 15.999 > 33 36 O 0.32813647419427 0.77538406976114 0.85051792980820 15.999 > 33 37 O 0.67186352580572 0.02538406976114 0.14948207019180 15.999 > 37 38 O 0.67186352580572 0.52538406976114 0.14948207019180 15.999 > 37 39 O 0.67186352580572 0.02538406976114 0.64948207019180 15.999 > 37 40 O 0.67186352580572 0.52538406976114 0.64948207019180 15.999 > 37 41 O 0.82813647419428 0.27538406976114 0.39948207019180 15.999 > 41 42 O 0.82813647419428 0.77538406976114 0.39948207019180 15.999 > 41 43 O 0.82813647419428 0.27538406976114 0.89948207019180 15.999 > 41 44 O 0.82813647419428 0.77538406976114 0.89948207019180 15.999 > 41 45 O 0.17186352580573 0.02538406976114 0.10051792980820 15.999 > 45 46 O 0.17186352580573 0.52538406976114 0.10051792980820 15.999 > 45 47 O 0.17186352580573 0.02538406976114 0.60051792980820 15.999 > 45 48 O 0.17186352580573 0.52538406976114 0.60051792980820 15.999 > 45 49 O 0.17186352580573 0.22461593023886 0.10051792980820 15.999 > 49 50 O 0.17186352580573 0.72461593023886 0.10051792980820 15.999 > 49 51 O 0.17186352580573 0.22461593023886 0.60051792980820 15.999 > 49 52 O 0.17186352580573 0.72461593023886 0.60051792980820 15.999 > 49 53 O 0.82813647419428 0.47461593023886 0.39948207019180 15.999 > 53 54 O 0.82813647419428 0.97461593023886 0.39948207019180 15.999 > 53 55 O 0.82813647419428 0.47461593023886 0.89948207019180 15.999 > 53 56 O 0.82813647419428 0.97461593023886 0.89948207019180 15.999 > 53 57 O 0.67186352580572 0.22461593023886 0.14948207019180 15.999 > 57 58 O 0.67186352580572 0.72461593023886 0.14948207019180 15.999 > 57 59 O 0.67186352580572 0.22461593023886 0.64948207019180 15.999 > 57 60 O 0.67186352580572 0.72461593023886 0.64948207019180 15.999 > 57 61 O 0.32813647419427 0.47461593023886 0.35051792980820 15.999 > 61 62 O 0.32813647419427 0.97461593023886 0.35051792980820 15.999 > 61 63 O 0.32813647419427 0.47461593023886 0.85051792980820 15.999 > 61 64 O 0.32813647419427 0.97461593023886 0.85051792980820 15.999 > 61 65 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 65 66 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 65 67 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 65 68 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 65 69 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 69 70 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 69 71 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 69 72 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 69 73 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 73 74 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 73 75 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 73 76 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 73 77 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 77 78 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 77 79 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 77 80 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 77 81 Si 0.40009482417835 0.37500000000000 0.27989774538877 28.085 > 81 82 Si 0.40009482417835 0.87500000000000 0.27989774538877 28.085 > 81 83 Si 0.40009482417835 0.37500000000000 0.77989774538877 28.085 > 81 84 Si 0.40009482417835 0.87500000000000 0.77989774538877 28.085 > 81 85 Si 0.90009482417835 0.37500000000000 0.47010225461123 28.085 > 85 86 Si 0.90009482417835 0.87500000000000 0.47010225461123 28.085 > 85 87 Si 0.90009482417835 0.37500000000000 0.97010225461123 28.085 > 85 88 Si 0.90009482417835 0.87500000000000 0.97010225461123 28.085 > 85 89 Si 0.59990517582165 0.12500000000000 0.22010225461123 28.085 > 89 90 Si 0.59990517582165 0.62500000000000 0.22010225461123 28.085 > 89 91 Si 0.59990517582165 0.12500000000000 0.72010225461123 28.085 > 89 92 Si 0.59990517582165 0.62500000000000 0.72010225461123 28.085 > 89 93 Si 0.09990517582165 0.12500000000000 0.02989774538877 28.085 > 93 94 Si 0.09990517582165 0.62500000000000 0.02989774538877 28.085 > 93 95 Si 0.09990517582165 0.12500000000000 0.52989774538877 28.085 > 93 96 Si 0.09990517582165 0.62500000000000 0.52989774538877 28.085 > 93 97 Y 0.28008066656439 0.12500000000000 0.24866450998600 88.906 > 97 98 Y 0.28008066656439 0.62500000000000 0.24866450998600 88.906 > 97 99 Y 0.28008066656439 0.12500000000000 0.74866450998600 88.906 > 97 100 Y 0.28008066656439 0.62500000000000 0.74866450998600 88.906 > 97 101 Y 0.71991933343561 0.37500000000000 0.25133549001400 88.906 > 101 102 Y 0.71991933343561 0.87500000000000 0.25133549001400 88.906 > 101 103 Y 0.71991933343561 0.37500000000000 0.75133549001400 88.906 > 101 104 Y 0.71991933343561 0.87500000000000 0.75133549001400 88.906 > 101 105 Y 0.78008066656439 0.12500000000000 0.00133549001400 88.906 > 105 106 Y 0.78008066656439 0.62500000000000 0.00133549001400 88.906 > 105 107 Y 0.78008066656439 0.12500000000000 0.50133549001400 88.906 > 105 108 Y 0.78008066656439 0.62500000000000 0.50133549001400 88.906 > 105 109 Y 0.21991933343561 0.37500000000000 0.49866450998600 88.906 > 109 110 Y 0.21991933343561 0.87500000000000 0.49866450998600 88.906 > 109 111 Y 0.21991933343561 0.37500000000000 0.99866450998600 88.906 > 109 112 Y 0.21991933343561 0.87500000000000 0.99866450998600 88.906 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1503822 0.0000000 0.0000000 0.0000000 3.0910798 0.0000000 0.0000000 0.0000000 2.9709737 -------------------------- Born effective charges -------------------------- 1 O -1.8381700 0.0000000 0.5384332 0.0000000 -1.3002906 0.0000000 0.5395964 0.0000000 -2.4204998 2 O -1.8381700 0.0000000 0.5384332 0.0000000 -1.3002906 0.0000000 0.5395964 0.0000000 -2.4204998 3 O -1.8381700 0.0000000 -0.5384332 0.0000000 -1.3002906 0.0000000 -0.5395964 0.0000000 -2.4204998 4 O -1.8381700 0.0000000 -0.5384332 0.0000000 -1.3002906 0.0000000 -0.5395964 0.0000000 -2.4204998 5 O -3.1079340 0.0000000 -0.0505423 0.0000000 -1.3592362 0.0000000 -0.1171811 0.0000000 -1.3651175 6 O -3.1079340 0.0000000 -0.0505423 0.0000000 -1.3592362 0.0000000 -0.1171811 0.0000000 -1.3651175 7 O -3.1079340 0.0000000 0.0505423 0.0000000 -1.3592362 0.0000000 0.1171811 0.0000000 -1.3651175 8 O -3.1079340 0.0000000 0.0505423 0.0000000 -1.3592362 0.0000000 0.1171811 0.0000000 -1.3651175 9 O -1.6493203 -0.2873626 0.3275634 -0.3082196 -2.5402040 -0.3215379 0.3923665 -0.2650215 -1.7863254 10 O -1.6493203 0.2873626 0.3275634 0.3082196 -2.5402040 0.3215379 0.3923665 0.2650215 -1.7863254 11 O -1.6493203 -0.2873626 -0.3275634 -0.3082196 -2.5402040 0.3215379 -0.3923665 0.2650215 -1.7863254 12 O -1.6493203 0.2873626 -0.3275634 0.3082196 -2.5402040 -0.3215379 -0.3923665 -0.2650215 -1.7863254 13 O -1.6493203 -0.2873626 -0.3275634 -0.3082196 -2.5402040 0.3215379 -0.3923665 0.2650215 -1.7863254 14 O -1.6493203 0.2873626 -0.3275634 0.3082196 -2.5402040 -0.3215379 -0.3923665 -0.2650215 -1.7863254 15 O -1.6493203 -0.2873626 0.3275634 -0.3082196 -2.5402040 -0.3215379 0.3923665 -0.2650215 -1.7863254 16 O -1.6493203 0.2873626 0.3275634 0.3082196 -2.5402040 0.3215379 0.3923665 0.2650215 -1.7863254 17 Na 1.0689889 -0.1227372 0.0184242 -0.1017935 0.9813550 0.0464502 -0.0103158 0.0580487 1.1636363 18 Na 1.0689889 0.1227372 0.0184242 0.1017935 0.9813550 -0.0464502 -0.0103158 -0.0580487 1.1636363 19 Na 1.0689889 0.1227372 -0.0184242 0.1017935 0.9813550 0.0464502 0.0103158 0.0580487 1.1636363 20 Na 1.0689889 -0.1227372 -0.0184242 -0.1017935 0.9813550 -0.0464502 0.0103158 -0.0580487 1.1636363 21 Si 3.2893042 0.0000000 0.2036162 0.0000000 2.8560198 0.0000000 -0.1379347 0.0000000 2.9030734 22 Si 3.2893042 0.0000000 -0.2036162 0.0000000 2.8560198 0.0000000 0.1379347 0.0000000 2.9030734 23 Si 3.2893042 0.0000000 0.2036162 0.0000000 2.8560198 0.0000000 -0.1379347 0.0000000 2.9030734 24 Si 3.2893042 0.0000000 -0.2036162 0.0000000 2.8560198 0.0000000 0.1379347 0.0000000 2.9030734 25 Y 3.8864514 0.0000000 -0.1610445 0.0000000 3.9025599 0.0000000 -0.0383015 0.0000000 3.2915584 26 Y 3.8864514 0.0000000 -0.1610445 0.0000000 3.9025599 0.0000000 -0.0383015 0.0000000 3.2915584 27 Y 3.8864514 0.0000000 0.1610445 0.0000000 3.9025599 0.0000000 0.0383015 0.0000000 3.2915584 28 Y 3.8864514 0.0000000 0.1610445 0.0000000 3.9025599 0.0000000 0.0383015 0.0000000 3.2915584 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000008 (xxx) -0.00000008 (xxx) -0.00000008 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:54:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:54:48]------------------------- 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: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.159452610000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.393050309999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.130409629999999 Atomic positions (fractional): 1 O 0.11340332683184 0.25000000000000 0.74513278323583 15.999 2 O 0.88659667316816 0.75000000000000 0.25486721676417 15.999 3 O 0.61340332683184 0.25000000000000 0.75486721676417 15.999 4 O 0.38659667316816 0.75000000000000 0.24513278323584 15.999 5 O 0.03801996325567 0.75000000000000 0.83392893346736 15.999 6 O 0.96198003674433 0.25000000000000 0.16607106653264 15.999 7 O 0.53801996325567 0.75000000000000 0.66607106653264 15.999 8 O 0.46198003674433 0.25000000000000 0.33392893346736 15.999 9 O 0.32813647419427 0.55076813952228 0.70103585961640 15.999 10 O 0.67186352580572 0.05076813952228 0.29896414038360 15.999 11 O 0.82813647419428 0.55076813952228 0.79896414038360 15.999 12 O 0.17186352580573 0.05076813952228 0.20103585961640 15.999 13 O 0.17186352580573 0.44923186047772 0.20103585961640 15.999 14 O 0.82813647419428 0.94923186047772 0.79896414038360 15.999 15 O 0.67186352580572 0.44923186047772 0.29896414038360 15.999 16 O 0.32813647419427 0.94923186047772 0.70103585961640 15.999 17 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 18 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 19 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 20 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 21 Si 0.40009482417835 0.75000000000000 0.55979549077754 28.085 22 Si 0.90009482417835 0.75000000000000 0.94020450922246 28.085 23 Si 0.59990517582165 0.25000000000000 0.44020450922246 28.085 24 Si 0.09990517582165 0.25000000000000 0.05979549077754 28.085 25 Y 0.28008066656439 0.25000000000000 0.49732901997201 88.906 26 Y 0.71991933343561 0.75000000000000 0.50267098002799 88.906 27 Y 0.78008066656439 0.25000000000000 0.00267098002799 88.906 28 Y 0.21991933343561 0.75000000000000 0.99732901997201 88.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.159452610000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.786100619999997 0.000000000000000 c 0.000000000000000 0.000000000000000 10.260819259999998 Atomic positions (fractional): 1 O 0.11340332683184 0.12500000000000 0.37256639161792 15.999 > 1 2 O 0.11340332683184 0.62500000000000 0.37256639161792 15.999 > 1 3 O 0.11340332683184 0.12500000000000 0.87256639161792 15.999 > 1 4 O 0.11340332683184 0.62500000000000 0.87256639161792 15.999 > 1 5 O 0.88659667316816 0.37500000000000 0.12743360838208 15.999 > 5 6 O 0.88659667316816 0.87500000000000 0.12743360838208 15.999 > 5 7 O 0.88659667316816 0.37500000000000 0.62743360838208 15.999 > 5 8 O 0.88659667316816 0.87500000000000 0.62743360838208 15.999 > 5 9 O 0.61340332683184 0.12500000000000 0.37743360838208 15.999 > 9 10 O 0.61340332683184 0.62500000000000 0.37743360838208 15.999 > 9 11 O 0.61340332683184 0.12500000000000 0.87743360838208 15.999 > 9 12 O 0.61340332683184 0.62500000000000 0.87743360838208 15.999 > 9 13 O 0.38659667316816 0.37500000000000 0.12256639161792 15.999 > 13 14 O 0.38659667316816 0.87500000000000 0.12256639161792 15.999 > 13 15 O 0.38659667316816 0.37500000000000 0.62256639161792 15.999 > 13 16 O 0.38659667316816 0.87500000000000 0.62256639161792 15.999 > 13 17 O 0.03801996325567 0.37500000000000 0.41696446673368 15.999 > 17 18 O 0.03801996325567 0.87500000000000 0.41696446673368 15.999 > 17 19 O 0.03801996325567 0.37500000000000 0.91696446673368 15.999 > 17 20 O 0.03801996325567 0.87500000000000 0.91696446673368 15.999 > 17 21 O 0.96198003674433 0.12500000000000 0.08303553326632 15.999 > 21 22 O 0.96198003674433 0.62500000000000 0.08303553326632 15.999 > 21 23 O 0.96198003674433 0.12500000000000 0.58303553326632 15.999 > 21 24 O 0.96198003674433 0.62500000000000 0.58303553326632 15.999 > 21 25 O 0.53801996325567 0.37500000000000 0.33303553326632 15.999 > 25 26 O 0.53801996325567 0.87500000000000 0.33303553326632 15.999 > 25 27 O 0.53801996325567 0.37500000000000 0.83303553326632 15.999 > 25 28 O 0.53801996325567 0.87500000000000 0.83303553326632 15.999 > 25 29 O 0.46198003674433 0.12500000000000 0.16696446673368 15.999 > 29 30 O 0.46198003674433 0.62500000000000 0.16696446673368 15.999 > 29 31 O 0.46198003674433 0.12500000000000 0.66696446673368 15.999 > 29 32 O 0.46198003674433 0.62500000000000 0.66696446673368 15.999 > 29 33 O 0.32813647419427 0.27538406976114 0.35051792980820 15.999 > 33 34 O 0.32813647419427 0.77538406976114 0.35051792980820 15.999 > 33 35 O 0.32813647419427 0.27538406976114 0.85051792980820 15.999 > 33 36 O 0.32813647419427 0.77538406976114 0.85051792980820 15.999 > 33 37 O 0.67186352580572 0.02538406976114 0.14948207019180 15.999 > 37 38 O 0.67186352580572 0.52538406976114 0.14948207019180 15.999 > 37 39 O 0.67186352580572 0.02538406976114 0.64948207019180 15.999 > 37 40 O 0.67186352580572 0.52538406976114 0.64948207019180 15.999 > 37 41 O 0.82813647419428 0.27538406976114 0.39948207019180 15.999 > 41 42 O 0.82813647419428 0.77538406976114 0.39948207019180 15.999 > 41 43 O 0.82813647419428 0.27538406976114 0.89948207019180 15.999 > 41 44 O 0.82813647419428 0.77538406976114 0.89948207019180 15.999 > 41 45 O 0.17186352580573 0.02538406976114 0.10051792980820 15.999 > 45 46 O 0.17186352580573 0.52538406976114 0.10051792980820 15.999 > 45 47 O 0.17186352580573 0.02538406976114 0.60051792980820 15.999 > 45 48 O 0.17186352580573 0.52538406976114 0.60051792980820 15.999 > 45 49 O 0.17186352580573 0.22461593023886 0.10051792980820 15.999 > 49 50 O 0.17186352580573 0.72461593023886 0.10051792980820 15.999 > 49 51 O 0.17186352580573 0.22461593023886 0.60051792980820 15.999 > 49 52 O 0.17186352580573 0.72461593023886 0.60051792980820 15.999 > 49 53 O 0.82813647419428 0.47461593023886 0.39948207019180 15.999 > 53 54 O 0.82813647419428 0.97461593023886 0.39948207019180 15.999 > 53 55 O 0.82813647419428 0.47461593023886 0.89948207019180 15.999 > 53 56 O 0.82813647419428 0.97461593023886 0.89948207019180 15.999 > 53 57 O 0.67186352580572 0.22461593023886 0.14948207019180 15.999 > 57 58 O 0.67186352580572 0.72461593023886 0.14948207019180 15.999 > 57 59 O 0.67186352580572 0.22461593023886 0.64948207019180 15.999 > 57 60 O 0.67186352580572 0.72461593023886 0.64948207019180 15.999 > 57 61 O 0.32813647419427 0.47461593023886 0.35051792980820 15.999 > 61 62 O 0.32813647419427 0.97461593023886 0.35051792980820 15.999 > 61 63 O 0.32813647419427 0.47461593023886 0.85051792980820 15.999 > 61 64 O 0.32813647419427 0.97461593023886 0.85051792980820 15.999 > 61 65 Na 0.00000000000000 0.25000000000000 0.25000000000000 22.990 > 65 66 Na 0.00000000000000 0.75000000000000 0.25000000000000 22.990 > 65 67 Na 0.00000000000000 0.25000000000000 0.75000000000000 22.990 > 65 68 Na 0.00000000000000 0.75000000000000 0.75000000000000 22.990 > 65 69 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 69 70 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 69 71 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 69 72 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 69 73 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 73 74 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 73 75 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 73 76 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 73 77 Na 0.50000000000000 0.25000000000000 0.00000000000000 22.990 > 77 78 Na 0.50000000000000 0.75000000000000 0.00000000000000 22.990 > 77 79 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 77 80 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 77 81 Si 0.40009482417835 0.37500000000000 0.27989774538877 28.085 > 81 82 Si 0.40009482417835 0.87500000000000 0.27989774538877 28.085 > 81 83 Si 0.40009482417835 0.37500000000000 0.77989774538877 28.085 > 81 84 Si 0.40009482417835 0.87500000000000 0.77989774538877 28.085 > 81 85 Si 0.90009482417835 0.37500000000000 0.47010225461123 28.085 > 85 86 Si 0.90009482417835 0.87500000000000 0.47010225461123 28.085 > 85 87 Si 0.90009482417835 0.37500000000000 0.97010225461123 28.085 > 85 88 Si 0.90009482417835 0.87500000000000 0.97010225461123 28.085 > 85 89 Si 0.59990517582165 0.12500000000000 0.22010225461123 28.085 > 89 90 Si 0.59990517582165 0.62500000000000 0.22010225461123 28.085 > 89 91 Si 0.59990517582165 0.12500000000000 0.72010225461123 28.085 > 89 92 Si 0.59990517582165 0.62500000000000 0.72010225461123 28.085 > 89 93 Si 0.09990517582165 0.12500000000000 0.02989774538877 28.085 > 93 94 Si 0.09990517582165 0.62500000000000 0.02989774538877 28.085 > 93 95 Si 0.09990517582165 0.12500000000000 0.52989774538877 28.085 > 93 96 Si 0.09990517582165 0.62500000000000 0.52989774538877 28.085 > 93 97 Y 0.28008066656439 0.12500000000000 0.24866450998600 88.906 > 97 98 Y 0.28008066656439 0.62500000000000 0.24866450998600 88.906 > 97 99 Y 0.28008066656439 0.12500000000000 0.74866450998600 88.906 > 97 100 Y 0.28008066656439 0.62500000000000 0.74866450998600 88.906 > 97 101 Y 0.71991933343561 0.37500000000000 0.25133549001400 88.906 > 101 102 Y 0.71991933343561 0.87500000000000 0.25133549001400 88.906 > 101 103 Y 0.71991933343561 0.37500000000000 0.75133549001400 88.906 > 101 104 Y 0.71991933343561 0.87500000000000 0.75133549001400 88.906 > 101 105 Y 0.78008066656439 0.12500000000000 0.00133549001400 88.906 > 105 106 Y 0.78008066656439 0.62500000000000 0.00133549001400 88.906 > 105 107 Y 0.78008066656439 0.12500000000000 0.50133549001400 88.906 > 105 108 Y 0.78008066656439 0.62500000000000 0.50133549001400 88.906 > 105 109 Y 0.21991933343561 0.37500000000000 0.49866450998600 88.906 > 109 110 Y 0.21991933343561 0.87500000000000 0.49866450998600 88.906 > 109 111 Y 0.21991933343561 0.37500000000000 0.99866450998600 88.906 > 109 112 Y 0.21991933343561 0.87500000000000 0.99866450998600 88.906 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1503822 0.0000000 0.0000000 0.0000000 3.0910798 0.0000000 0.0000000 0.0000000 2.9709737 -------------------------- Born effective charges -------------------------- 1 O -1.8381700 0.0000000 0.5384332 0.0000000 -1.3002906 0.0000000 0.5395964 0.0000000 -2.4204998 2 O -1.8381700 0.0000000 0.5384332 0.0000000 -1.3002906 0.0000000 0.5395964 0.0000000 -2.4204998 3 O -1.8381700 0.0000000 -0.5384332 0.0000000 -1.3002906 0.0000000 -0.5395964 0.0000000 -2.4204998 4 O -1.8381700 0.0000000 -0.5384332 0.0000000 -1.3002906 0.0000000 -0.5395964 0.0000000 -2.4204998 5 O -3.1079340 0.0000000 -0.0505423 0.0000000 -1.3592362 0.0000000 -0.1171811 0.0000000 -1.3651175 6 O -3.1079340 0.0000000 -0.0505423 0.0000000 -1.3592362 0.0000000 -0.1171811 0.0000000 -1.3651175 7 O -3.1079340 0.0000000 0.0505423 0.0000000 -1.3592362 0.0000000 0.1171811 0.0000000 -1.3651175 8 O -3.1079340 0.0000000 0.0505423 0.0000000 -1.3592362 0.0000000 0.1171811 0.0000000 -1.3651175 9 O -1.6493203 -0.2873626 0.3275634 -0.3082196 -2.5402040 -0.3215379 0.3923665 -0.2650215 -1.7863254 10 O -1.6493203 0.2873626 0.3275634 0.3082196 -2.5402040 0.3215379 0.3923665 0.2650215 -1.7863254 11 O -1.6493203 -0.2873626 -0.3275634 -0.3082196 -2.5402040 0.3215379 -0.3923665 0.2650215 -1.7863254 12 O -1.6493203 0.2873626 -0.3275634 0.3082196 -2.5402040 -0.3215379 -0.3923665 -0.2650215 -1.7863254 13 O -1.6493203 -0.2873626 -0.3275634 -0.3082196 -2.5402040 0.3215379 -0.3923665 0.2650215 -1.7863254 14 O -1.6493203 0.2873626 -0.3275634 0.3082196 -2.5402040 -0.3215379 -0.3923665 -0.2650215 -1.7863254 15 O -1.6493203 -0.2873626 0.3275634 -0.3082196 -2.5402040 -0.3215379 0.3923665 -0.2650215 -1.7863254 16 O -1.6493203 0.2873626 0.3275634 0.3082196 -2.5402040 0.3215379 0.3923665 0.2650215 -1.7863254 17 Na 1.0689889 -0.1227372 0.0184242 -0.1017935 0.9813550 0.0464502 -0.0103158 0.0580487 1.1636363 18 Na 1.0689889 0.1227372 0.0184242 0.1017935 0.9813550 -0.0464502 -0.0103158 -0.0580487 1.1636363 19 Na 1.0689889 0.1227372 -0.0184242 0.1017935 0.9813550 0.0464502 0.0103158 0.0580487 1.1636363 20 Na 1.0689889 -0.1227372 -0.0184242 -0.1017935 0.9813550 -0.0464502 0.0103158 -0.0580487 1.1636363 21 Si 3.2893042 0.0000000 0.2036162 0.0000000 2.8560198 0.0000000 -0.1379347 0.0000000 2.9030734 22 Si 3.2893042 0.0000000 -0.2036162 0.0000000 2.8560198 0.0000000 0.1379347 0.0000000 2.9030734 23 Si 3.2893042 0.0000000 0.2036162 0.0000000 2.8560198 0.0000000 -0.1379347 0.0000000 2.9030734 24 Si 3.2893042 0.0000000 -0.2036162 0.0000000 2.8560198 0.0000000 0.1379347 0.0000000 2.9030734 25 Y 3.8864514 0.0000000 -0.1610445 0.0000000 3.9025599 0.0000000 -0.0383015 0.0000000 3.2915584 26 Y 3.8864514 0.0000000 -0.1610445 0.0000000 3.9025599 0.0000000 -0.0383015 0.0000000 3.2915584 27 Y 3.8864514 0.0000000 0.1610445 0.0000000 3.9025599 0.0000000 0.0383015 0.0000000 3.2915584 28 Y 3.8864514 0.0000000 0.1610445 0.0000000 3.9025599 0.0000000 0.0383015 0.0000000 3.2915584 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000008 (xxx) -0.00000008 (xxx) -0.00000008 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 8 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 299, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.555 ( 0.000 0.000 0.000) 0.000 2.751 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.737 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.403 ( 0.000 0.000 0.000) 0.000 4.593 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.305 ( 0.000 0.000 0.000) 0.000 5.315 ( 0.000 0.000 0.000) 0.000 5.419 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.299 ( 0.000 0.000 0.000) 0.000 6.437 ( 0.000 0.000 0.000) 0.000 6.508 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 6.769 ( 0.000 0.000 0.000) 0.000 6.859 ( 0.000 0.000 0.000) 0.000 6.922 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 7.577 ( 0.000 0.000 0.000) 0.000 7.913 ( 0.000 0.000 0.000) 0.000 7.922 ( 0.000 0.000 0.000) 0.000 7.995 ( 0.000 0.000 0.000) 0.000 8.267 ( 0.000 0.000 0.000) 0.000 8.515 ( 0.000 0.000 0.000) 0.000 8.546 ( 0.000 0.000 0.000) 0.000 8.647 ( 0.000 0.000 0.000) 0.000 9.008 ( 0.000 0.000 0.000) 0.000 9.172 ( 0.000 0.000 0.000) 0.000 9.221 ( 0.000 0.000 0.000) 0.000 9.223 ( 0.000 0.000 0.000) 0.000 9.478 ( 0.000 0.000 0.000) 0.000 9.626 ( 0.000 0.000 0.000) 0.000 9.635 ( 0.000 0.000 0.000) 0.000 9.811 ( 0.000 0.000 0.000) 0.000 11.389 ( 0.000 0.000 0.000) 0.000 11.648 ( 0.000 0.000 0.000) 0.000 11.720 ( 0.000 0.000 0.000) 0.000 11.948 ( 0.000 0.000 0.000) 0.000 12.087 ( 0.000 0.000 0.000) 0.000 12.496 ( 0.000 0.000 0.000) 0.000 13.059 ( 0.000 0.000 0.000) 0.000 13.316 ( 0.000 0.000 0.000) 0.000 13.360 ( 0.000 0.000 0.000) 0.000 13.396 ( 0.000 0.000 0.000) 0.000 14.884 ( 0.000 0.000 0.000) 0.000 14.897 ( 0.000 0.000 0.000) 0.000 14.932 ( 0.000 0.000 0.000) 0.000 15.284 ( 0.000 0.000 0.000) 0.000 15.289 ( 0.000 0.000 0.000) 0.000 15.943 ( 0.000 0.000 0.000) 0.000 16.518 ( 0.000 0.000 0.000) 0.000 16.528 ( 0.000 0.000 0.000) 0.000 17.566 ( 0.000 0.000 0.000) 0.000 18.207 ( 0.000 0.000 0.000) 0.000 23.550 ( 0.000 0.000 0.000) 0.000 23.691 ( 0.000 0.000 0.000) 0.000 23.819 ( 0.000 0.000 0.000) 0.000 23.983 ( 0.000 0.000 0.000) 0.000 24.329 ( 0.000 0.000 0.000) 0.000 24.363 ( 0.000 0.000 0.000) 0.000 24.534 ( 0.000 0.000 0.000) 0.000 24.851 ( 0.000 0.000 0.000) 0.000 26.389 ( 0.000 0.000 0.000) 0.000 26.485 ( 0.000 0.000 0.000) 0.000 26.985 ( 0.000 0.000 0.000) 0.000 27.509 ( 0.000 0.000 0.000) 0.000 27.941 ( 0.000 0.000 0.000) 0.000 28.339 ( 0.000 0.000 0.000) 0.000 28.737 ( 0.000 0.000 0.000) 0.000 30.356 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 36.545 0.000 0.000) 36.545 0.897 ( 38.977 0.000 0.000) 38.977 1.599 ( 66.945 0.000 0.000) 66.945 2.236 ( -23.203 0.000 0.000) 23.203 2.458 ( -21.022 0.000 0.000) 21.022 3.235 ( 11.807 0.000 0.000) 11.807 3.671 ( -5.835 0.000 0.000) 5.835 4.331 ( -19.717 0.000 0.000) 19.717 4.368 ( 2.480 0.000 0.000) 2.480 4.375 ( -22.748 0.000 0.000) 22.748 4.376 ( -0.866 0.000 0.000) 0.866 4.544 ( -3.895 0.000 0.000) 3.895 4.572 ( 17.824 0.000 0.000) 17.824 4.812 ( 1.520 0.000 0.000) 1.520 4.963 ( 1.006 0.000 0.000) 1.006 5.020 ( -7.774 0.000 0.000) 7.774 5.314 ( 1.971 0.000 0.000) 1.971 5.363 ( 7.026 0.000 0.000) 7.026 5.416 ( 7.338 0.000 0.000) 7.338 5.589 ( 4.863 0.000 0.000) 4.863 5.630 ( 5.799 0.000 0.000) 5.799 5.674 ( -11.077 0.000 0.000) 11.077 5.700 ( 0.935 0.000 0.000) 0.935 5.987 ( -2.767 0.000 0.000) 2.767 6.108 ( -8.677 0.000 0.000) 8.677 6.325 ( -11.951 0.000 0.000) 11.951 6.533 ( 1.506 0.000 0.000) 1.506 6.620 ( 9.249 0.000 0.000) 9.249 6.717 ( -5.845 0.000 0.000) 5.845 6.825 ( 1.470 0.000 0.000) 1.470 7.188 ( 13.559 0.000 0.000) 13.559 7.385 ( 1.884 0.000 0.000) 1.884 7.635 ( 4.806 0.000 0.000) 4.806 7.872 ( -3.548 0.000 0.000) 3.548 7.984 ( 4.067 0.000 0.000) 4.067 7.986 ( -0.339 0.000 0.000) 0.339 8.289 ( -0.883 0.000 0.000) 0.883 8.595 ( 4.358 0.000 0.000) 4.358 8.649 ( -5.488 0.000 0.000) 5.488 8.717 ( -16.916 0.000 0.000) 16.916 8.808 ( -2.899 0.000 0.000) 2.899 8.950 ( -10.519 0.000 0.000) 10.519 9.195 ( -1.097 0.000 0.000) 1.097 9.228 ( 0.239 0.000 0.000) 0.239 9.437 ( 9.879 0.000 0.000) 9.879 9.765 ( -4.077 0.000 0.000) 4.077 10.299 ( 33.253 0.000 0.000) 33.253 11.414 ( 2.124 0.000 0.000) 2.124 11.531 ( -17.635 0.000 0.000) 17.635 11.572 ( -4.343 0.000 0.000) 4.343 11.792 ( 4.036 0.000 0.000) 4.036 11.929 ( -1.696 0.000 0.000) 1.696 12.135 ( 3.765 0.000 0.000) 3.765 12.398 ( -6.895 0.000 0.000) 6.895 13.202 ( 10.764 0.000 0.000) 10.764 13.365 ( 0.423 0.000 0.000) 0.423 13.390 ( -0.474 0.000 0.000) 0.474 13.721 ( -8.995 0.000 0.000) 8.995 14.886 ( 0.208 0.000 0.000) 0.208 14.896 ( -0.135 0.000 0.000) 0.135 14.977 ( 3.834 0.000 0.000) 3.834 15.221 ( -4.832 0.000 0.000) 4.832 15.442 ( 9.346 0.000 0.000) 9.346 15.870 ( -6.312 0.000 0.000) 6.312 16.523 ( 0.347 0.000 0.000) 0.347 16.530 ( 0.061 0.000 0.000) 0.061 18.208 ( 0.056 0.000 0.000) 0.056 18.216 ( -0.260 0.000 0.000) 0.260 23.565 ( 1.280 0.000 0.000) 1.280 23.658 ( -2.323 0.000 0.000) 2.323 23.855 ( 2.583 0.000 0.000) 2.583 23.964 ( -1.595 0.000 0.000) 1.595 24.342 ( 1.185 0.000 0.000) 1.185 24.437 ( -2.850 0.000 0.000) 2.850 24.610 ( 4.521 0.000 0.000) 4.521 24.812 ( -3.294 0.000 0.000) 3.294 26.402 ( 1.107 0.000 0.000) 1.107 26.469 ( -1.286 0.000 0.000) 1.286 27.548 ( 3.394 0.000 0.000) 3.394 27.794 ( -7.170 0.000 0.000) 7.170 28.230 ( 11.000 0.000 0.000) 11.000 28.665 ( -6.180 0.000 0.000) 6.180 30.357 ( 0.071 0.000 0.000) 0.071 30.364 ( -0.183 0.000 0.000) 0.183 ======================= Grid point 2 (3/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -31.669 0.000 0.000) 31.669 1.613 ( 31.669 0.000 0.000) 31.669 1.719 ( -33.349 0.000 0.000) 33.349 1.719 ( 33.349 0.000 0.000) 33.349 3.161 ( -61.107 0.000 0.000) 61.107 3.161 ( 61.107 0.000 0.000) 61.107 3.487 ( -10.152 0.000 0.000) 10.152 3.487 ( 10.152 0.000 0.000) 10.152 4.344 ( -1.275 0.000 0.000) 1.275 4.344 ( 1.275 0.000 0.000) 1.275 4.446 ( -4.310 0.000 0.000) 4.310 4.446 ( 4.310 0.000 0.000) 4.310 4.880 ( -4.650 0.000 0.000) 4.650 4.880 ( 4.650 0.000 0.000) 4.650 4.944 ( -10.030 0.000 0.000) 10.030 4.944 ( 10.030 0.000 0.000) 10.030 5.384 ( -7.003 0.000 0.000) 7.003 5.384 ( 7.003 0.000 0.000) 7.003 5.488 ( -1.855 0.000 0.000) 1.855 5.488 ( 1.855 0.000 0.000) 1.855 5.698 ( -1.935 0.000 0.000) 1.935 5.698 ( 1.935 0.000 0.000) 1.935 5.813 ( -9.847 0.000 0.000) 9.847 5.813 ( 9.847 0.000 0.000) 9.847 6.096 ( -6.467 0.000 0.000) 6.467 6.096 ( 6.467 0.000 0.000) 6.467 6.598 ( -4.468 0.000 0.000) 4.468 6.598 ( 4.468 0.000 0.000) 4.468 6.785 ( -4.958 0.000 0.000) 4.958 6.785 ( 4.958 0.000 0.000) 4.958 7.396 ( -3.490 0.000 0.000) 3.490 7.396 ( 3.490 0.000 0.000) 3.490 7.763 ( -5.846 0.000 0.000) 5.846 7.763 ( 5.846 0.000 0.000) 5.846 8.014 ( -2.246 0.000 0.000) 2.246 8.014 ( 2.246 0.000 0.000) 2.246 8.312 ( -6.373 0.000 0.000) 6.373 8.312 ( 6.373 0.000 0.000) 6.373 8.732 ( -3.393 0.000 0.000) 3.393 8.732 ( 3.393 0.000 0.000) 3.393 8.737 ( -8.162 0.000 0.000) 8.162 8.737 ( 8.162 0.000 0.000) 8.162 9.217 ( -1.252 0.000 0.000) 1.252 9.217 ( 1.252 0.000 0.000) 1.252 9.634 ( -7.497 0.000 0.000) 7.497 9.634 ( 7.497 0.000 0.000) 7.497 11.002 ( -28.513 0.000 0.000) 28.513 11.002 ( 28.513 0.000 0.000) 28.513 11.480 ( -3.677 0.000 0.000) 3.677 11.480 ( 3.677 0.000 0.000) 3.677 11.874 ( -3.162 0.000 0.000) 3.162 11.874 ( 3.162 0.000 0.000) 3.162 12.246 ( -6.079 0.000 0.000) 6.079 12.246 ( 6.079 0.000 0.000) 6.079 13.377 ( -0.635 0.000 0.000) 0.635 13.377 ( 0.635 0.000 0.000) 0.635 13.472 ( -12.353 0.000 0.000) 12.353 13.472 ( 12.353 0.000 0.000) 12.353 14.891 ( -0.242 0.000 0.000) 0.242 14.891 ( 0.242 0.000 0.000) 0.242 15.092 ( -6.015 0.000 0.000) 6.015 15.092 ( 6.015 0.000 0.000) 6.015 15.676 ( -10.413 0.000 0.000) 10.413 15.676 ( 10.413 0.000 0.000) 10.413 16.529 ( -0.158 0.000 0.000) 0.158 16.529 ( 0.158 0.000 0.000) 0.158 18.210 ( -0.198 0.000 0.000) 0.198 18.210 ( 0.198 0.000 0.000) 0.198 23.605 ( -2.199 0.000 0.000) 2.199 23.605 ( 2.199 0.000 0.000) 2.199 23.916 ( -2.605 0.000 0.000) 2.605 23.916 ( 2.605 0.000 0.000) 2.605 24.380 ( -2.172 0.000 0.000) 2.172 24.380 ( 2.172 0.000 0.000) 2.172 24.717 ( -4.823 0.000 0.000) 4.823 24.717 ( 4.823 0.000 0.000) 4.823 26.434 ( -1.674 0.000 0.000) 1.674 26.434 ( 1.674 0.000 0.000) 1.674 27.651 ( -5.598 0.000 0.000) 5.598 27.651 ( 5.598 0.000 0.000) 5.598 28.475 ( -10.270 0.000 0.000) 10.270 28.475 ( 10.270 0.000 0.000) 10.270 30.360 ( -0.178 0.000 0.000) 0.178 30.360 ( 0.178 0.000 0.000) 0.178 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 0.000 34.579 0.000) 34.579 0.740 ( 0.000 37.506 0.000) 37.506 1.275 ( 0.000 63.032 0.000) 63.032 2.803 ( 0.000 5.357 0.000) 5.357 2.809 ( 0.000 22.960 0.000) 22.960 3.090 ( 0.000 4.352 0.000) 4.352 3.833 ( 0.000 7.126 0.000) 7.126 4.081 ( 0.000 -14.466 0.000) 14.466 4.250 ( 0.000 -10.076 0.000) 10.076 4.284 ( 0.000 -8.295 0.000) 8.295 4.332 ( 0.000 -5.811 0.000) 5.811 4.555 ( 0.000 -8.512 0.000) 8.512 4.774 ( 0.000 -1.018 0.000) 1.018 4.923 ( 0.000 22.183 0.000) 22.183 5.143 ( 0.000 -5.351 0.000) 5.351 5.253 ( 0.000 -0.927 0.000) 0.927 5.273 ( 0.000 -0.840 0.000) 0.840 5.326 ( 0.000 1.214 0.000) 1.214 5.422 ( 0.000 7.763 0.000) 7.763 5.476 ( 0.000 3.475 0.000) 3.475 5.490 ( 0.000 8.438 0.000) 8.438 5.865 ( 0.000 -9.585 0.000) 9.585 5.923 ( 0.000 -5.731 0.000) 5.731 5.946 ( 0.000 11.156 0.000) 11.156 6.243 ( 0.000 -3.031 0.000) 3.031 6.395 ( 0.000 -10.766 0.000) 10.766 6.506 ( 0.000 7.152 0.000) 7.152 6.663 ( 0.000 11.980 0.000) 11.980 6.838 ( 0.000 -2.053 0.000) 2.053 6.919 ( 0.000 4.472 0.000) 4.472 7.039 ( 0.000 9.566 0.000) 9.566 7.363 ( 0.000 1.365 0.000) 1.365 7.890 ( 0.000 -2.303 0.000) 2.303 7.948 ( 0.000 -1.158 0.000) 1.158 7.950 ( 0.000 3.105 0.000) 3.105 8.101 ( 0.000 6.313 0.000) 6.313 8.234 ( 0.000 -3.186 0.000) 3.186 8.485 ( 0.000 -2.992 0.000) 2.992 8.488 ( 0.000 -4.803 0.000) 4.803 8.691 ( 0.000 3.278 0.000) 3.278 8.992 ( 0.000 -1.602 0.000) 1.602 9.168 ( 0.000 -5.573 0.000) 5.573 9.200 ( 0.000 -2.805 0.000) 2.805 9.318 ( 0.000 -12.618 0.000) 12.618 9.489 ( 0.000 -12.111 0.000) 12.111 9.629 ( 0.000 -0.219 0.000) 0.219 9.863 ( 0.000 1.543 0.000) 1.543 9.968 ( 0.000 -2.258 0.000) 2.258 11.549 ( 0.000 14.289 0.000) 14.289 11.748 ( 0.000 2.831 0.000) 2.831 11.970 ( 0.000 2.207 0.000) 2.207 12.032 ( 0.000 -1.377 0.000) 1.377 12.112 ( 0.000 2.461 0.000) 2.461 12.502 ( 0.000 0.571 0.000) 0.571 13.028 ( 0.000 -3.231 0.000) 3.231 13.257 ( 0.000 -6.046 0.000) 6.046 13.393 ( 0.000 3.824 0.000) 3.824 14.777 ( 0.000 -7.547 0.000) 7.547 14.899 ( 0.000 0.204 0.000) 0.204 14.990 ( 0.000 -1.006 0.000) 1.006 15.020 ( 0.000 5.617 0.000) 5.617 15.285 ( 0.000 0.179 0.000) 0.179 15.298 ( 0.000 0.837 0.000) 0.837 15.893 ( 0.000 -4.880 0.000) 4.880 16.566 ( 0.000 4.778 0.000) 4.778 16.578 ( 0.000 5.072 0.000) 5.072 17.525 ( 0.000 -4.113 0.000) 4.113 18.095 ( 0.000 -10.719 0.000) 10.719 23.735 ( 0.000 4.400 0.000) 4.400 23.926 ( 0.000 9.844 0.000) 9.844 23.956 ( 0.000 -1.423 0.000) 1.423 24.352 ( 0.000 2.261 0.000) 2.261 24.497 ( 0.000 12.165 0.000) 12.165 24.506 ( 0.000 -2.784 0.000) 2.784 24.810 ( 0.000 -4.059 0.000) 4.059 26.371 ( 0.000 -9.749 0.000) 9.749 26.413 ( 0.000 2.678 0.000) 2.678 26.740 ( 0.000 3.801 0.000) 3.801 26.976 ( 0.000 -0.869 0.000) 0.869 27.474 ( 0.000 -3.557 0.000) 3.557 27.958 ( 0.000 1.709 0.000) 1.709 28.324 ( 0.000 -1.515 0.000) 1.515 28.764 ( 0.000 2.849 0.000) 2.849 30.232 ( 0.000 -12.145 0.000) 12.145 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 28.279 22.599 0.000) 36.199 1.100 ( 30.526 19.426 0.000) 36.183 2.033 ( 46.545 37.054 0.000) 59.493 2.427 ( -24.934 16.330 0.000) 29.806 2.524 ( -16.185 8.351 0.000) 18.213 3.325 ( 12.244 8.839 0.000) 15.102 3.762 ( -5.852 7.445 0.000) 9.469 4.222 ( 6.710 -14.984 0.000) 16.418 4.225 ( -2.419 -11.205 0.000) 11.464 4.253 ( -10.394 -4.999 0.000) 11.534 4.273 ( 0.838 -9.061 0.000) 9.100 4.480 ( -16.890 5.901 0.000) 17.891 4.811 ( 6.735 -4.640 0.000) 8.178 4.931 ( 1.644 18.579 0.000) 18.652 4.990 ( -6.185 6.497 0.000) 8.970 5.118 ( -4.640 4.037 0.000) 6.150 5.299 ( -4.797 1.701 0.000) 5.090 5.342 ( 0.438 -1.094 0.000) 1.179 5.365 ( 6.407 -6.201 0.000) 8.916 5.524 ( 1.623 -6.268 0.000) 6.475 5.561 ( 5.678 4.110 0.000) 7.009 5.822 ( -6.631 13.000 0.000) 14.594 5.904 ( 2.206 4.165 0.000) 4.713 5.931 ( -1.004 -3.651 0.000) 3.786 6.198 ( -4.155 8.086 0.000) 9.091 6.282 ( -7.790 -4.015 0.000) 8.764 6.544 ( 4.039 -3.049 0.000) 5.061 6.607 ( -2.056 9.644 0.000) 9.861 6.826 ( -0.405 -1.992 0.000) 2.033 6.849 ( -3.444 8.475 0.000) 9.148 7.237 ( 11.291 3.945 0.000) 11.961 7.384 ( 1.902 0.337 0.000) 1.931 7.728 ( -4.717 7.581 0.000) 8.929 7.852 ( -3.199 -1.865 0.000) 3.703 7.970 ( -0.236 -1.073 0.000) 1.098 8.007 ( 3.248 2.527 0.000) 4.116 8.241 ( -0.643 -4.391 0.000) 4.438 8.517 ( -1.827 -7.262 0.000) 7.488 8.638 ( -14.434 -3.446 0.000) 14.840 8.698 ( 3.994 -6.611 0.000) 7.724 8.709 ( -3.254 1.022 0.000) 3.410 8.898 ( -10.718 -5.755 0.000) 12.165 9.169 ( 1.476 -2.176 0.000) 2.630 9.251 ( 0.215 1.643 0.000) 1.657 9.529 ( 2.238 6.119 0.000) 6.516 9.676 ( -0.392 -8.117 0.000) 8.127 10.213 ( 26.267 -7.767 0.000) 27.391 10.736 ( 18.367 -34.729 0.000) 39.287 11.581 ( 3.003 14.256 0.000) 14.569 11.767 ( 0.697 3.499 0.000) 3.568 11.953 ( -1.477 2.349 0.000) 2.775 11.962 ( -5.538 4.765 0.000) 7.306 12.156 ( 3.564 2.010 0.000) 4.091 12.407 ( -6.645 0.884 0.000) 6.704 13.149 ( 7.991 -4.879 0.000) 9.363 13.275 ( 0.991 -7.127 0.000) 7.195 13.435 ( 4.655 6.867 0.000) 8.296 14.220 ( -34.882 27.179 0.000) 44.220 14.801 ( 1.883 -6.703 0.000) 6.963 14.884 ( -1.237 -1.121 0.000) 1.669 15.046 ( 2.361 5.011 0.000) 5.540 15.231 ( -4.156 1.048 0.000) 4.286 15.414 ( 8.449 -2.125 0.000) 8.712 15.821 ( -6.270 -4.818 0.000) 7.908 16.564 ( 0.270 4.333 0.000) 4.341 16.577 ( -0.121 4.864 0.000) 4.865 17.886 ( 12.666 -20.888 0.000) 24.428 18.083 ( -1.076 -11.672 0.000) 11.721 23.736 ( 0.455 6.336 0.000) 6.353 23.910 ( -4.679 2.208 0.000) 5.174 23.948 ( 1.848 9.512 0.000) 9.690 24.279 ( -23.215 32.934 0.000) 40.294 24.371 ( 1.658 2.838 0.000) 3.287 24.477 ( -2.326 1.417 0.000) 2.724 24.750 ( -14.456 19.680 0.000) 24.419 24.781 ( -2.448 -3.101 0.000) 3.951 26.426 ( 1.142 2.719 0.000) 2.950 26.494 ( -1.330 2.686 0.000) 2.997 27.513 ( 3.347 -3.602 0.000) 4.917 27.735 ( -4.831 -6.435 0.000) 8.047 28.228 ( 12.261 -0.063 0.000) 12.261 28.689 ( -6.506 2.471 0.000) 6.959 29.572 ( 44.559 -52.139 0.000) 68.585 30.203 ( -2.768 -14.749 0.000) 15.007 ======================= Grid point 7 (6/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -8.645 11.393 0.000) 14.302 1.754 ( 8.645 11.393 0.000) 14.302 1.850 ( -8.699 14.190 0.000) 16.644 1.850 ( 8.699 14.190 0.000) 16.644 3.349 ( -49.597 16.505 0.000) 52.271 3.349 ( 49.597 16.505 0.000) 52.271 3.595 ( -5.784 11.873 0.000) 13.207 3.595 ( 5.784 11.873 0.000) 13.207 4.213 ( -1.279 -12.349 0.000) 12.415 4.213 ( 1.279 -12.349 0.000) 12.415 4.368 ( -1.871 -6.508 0.000) 6.772 4.368 ( 1.871 -6.508 0.000) 6.772 4.936 ( -4.336 4.169 0.000) 6.016 4.936 ( 4.336 4.169 0.000) 6.016 5.023 ( -1.755 6.750 0.000) 6.975 5.023 ( 1.755 6.750 0.000) 6.975 5.287 ( -2.748 -4.531 0.000) 5.300 5.287 ( 2.748 -4.531 0.000) 5.300 5.495 ( -3.942 -10.611 0.000) 11.320 5.495 ( 3.942 -10.611 0.000) 11.320 5.688 ( -5.435 13.335 0.000) 14.400 5.688 ( 5.435 13.335 0.000) 14.400 5.935 ( -0.245 1.007 0.000) 1.037 5.935 ( 0.245 1.007 0.000) 1.037 6.149 ( -1.965 8.287 0.000) 8.517 6.149 ( 1.965 8.287 0.000) 8.517 6.601 ( -0.068 0.556 0.000) 0.561 6.601 ( 0.068 0.556 0.000) 0.561 6.807 ( -0.407 1.964 0.000) 2.005 6.807 ( 0.407 1.964 0.000) 2.005 7.406 ( -2.361 0.522 0.000) 2.418 7.406 ( 2.361 0.522 0.000) 2.418 7.757 ( -4.575 -0.444 0.000) 4.597 7.757 ( 4.575 -0.444 0.000) 4.597 8.003 ( -3.393 -0.855 0.000) 3.499 8.003 ( 3.393 -0.855 0.000) 3.499 8.260 ( -4.789 -4.726 0.000) 6.729 8.260 ( 4.789 -4.726 0.000) 6.729 8.685 ( -6.278 -4.427 0.000) 7.681 8.685 ( 6.278 -4.427 0.000) 7.681 8.726 ( -2.280 -1.146 0.000) 2.552 8.726 ( 2.280 -1.146 0.000) 2.552 9.226 ( -2.340 0.955 0.000) 2.527 9.226 ( 2.340 0.955 0.000) 2.527 9.612 ( -4.105 -1.919 0.000) 4.531 9.612 ( 4.105 -1.919 0.000) 4.531 10.718 ( -15.209 -20.177 0.000) 25.267 10.718 ( 15.209 -20.177 0.000) 25.267 11.689 ( -6.355 12.471 0.000) 13.997 11.689 ( 6.355 12.471 0.000) 13.997 11.913 ( -1.461 3.528 0.000) 3.818 11.913 ( 1.461 3.528 0.000) 3.818 12.262 ( -5.818 1.531 0.000) 6.016 12.262 ( 5.818 1.531 0.000) 6.016 13.269 ( -2.182 -7.052 0.000) 7.381 13.269 ( 2.182 -7.052 0.000) 7.381 13.668 ( -16.729 14.905 0.000) 22.406 13.668 ( 16.729 14.905 0.000) 22.406 14.848 ( -1.998 -4.054 0.000) 4.519 14.848 ( 1.998 -4.054 0.000) 4.519 15.126 ( -4.614 3.034 0.000) 5.522 15.126 ( 4.614 3.034 0.000) 5.522 15.632 ( -9.940 -4.131 0.000) 10.764 15.632 ( 9.940 -4.131 0.000) 10.764 16.572 ( -0.354 4.434 0.000) 4.448 16.572 ( 0.354 4.434 0.000) 4.448 18.039 ( -3.313 -15.001 0.000) 15.362 18.039 ( 3.313 -15.001 0.000) 15.362 23.781 ( -4.226 10.360 0.000) 11.189 23.781 ( 4.226 10.360 0.000) 11.189 24.012 ( -4.459 12.937 0.000) 13.684 24.012 ( 4.459 12.937 0.000) 13.684 24.420 ( -2.565 3.698 0.000) 4.500 24.420 ( 2.565 3.698 0.000) 4.500 24.718 ( -2.557 0.454 0.000) 2.597 24.718 ( 2.557 0.454 0.000) 2.597 26.459 ( -1.662 2.717 0.000) 3.185 26.459 ( 1.662 2.717 0.000) 3.185 27.613 ( -5.264 -4.000 0.000) 6.612 27.613 ( 5.264 -4.000 0.000) 6.612 28.489 ( -10.815 1.461 0.000) 10.913 28.489 ( 10.815 1.461 0.000) 10.913 30.078 ( -9.971 -25.291 0.000) 27.186 30.078 ( 9.971 -25.291 0.000) 27.186 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 0.000 35.863 0.000) 35.863 1.460 ( 0.000 35.943 0.000) 35.943 2.407 ( 0.000 49.960 0.000) 49.960 2.970 ( 0.000 12.643 0.000) 12.643 3.198 ( 0.000 5.554 0.000) 5.554 3.300 ( 0.000 23.814 0.000) 23.814 3.825 ( 0.000 -11.973 0.000) 11.973 3.833 ( 0.000 -11.043 0.000) 11.043 3.959 ( 0.000 -18.279 0.000) 18.279 4.211 ( 0.000 -5.948 0.000) 5.948 4.264 ( 0.000 10.845 0.000) 10.845 4.362 ( 0.000 -10.813 0.000) 10.813 4.786 ( 0.000 1.941 0.000) 1.941 5.012 ( 0.000 -7.974 0.000) 7.974 5.179 ( 0.000 -4.984 0.000) 4.984 5.194 ( 0.000 -6.965 0.000) 6.965 5.309 ( 0.000 13.240 0.000) 13.240 5.354 ( 0.000 1.616 0.000) 1.616 5.449 ( 0.000 -7.855 0.000) 7.855 5.484 ( 0.000 -2.213 0.000) 2.213 5.746 ( 0.000 15.984 0.000) 15.984 5.793 ( 0.000 4.288 0.000) 4.288 5.926 ( 0.000 6.991 0.000) 6.991 6.149 ( 0.000 -11.523 0.000) 11.523 6.173 ( 0.000 8.336 0.000) 8.336 6.321 ( 0.000 13.918 0.000) 13.918 6.705 ( 0.000 12.382 0.000) 12.382 6.762 ( 0.000 -6.087 0.000) 6.087 6.918 ( 0.000 13.464 0.000) 13.464 6.993 ( 0.000 3.059 0.000) 3.059 7.208 ( 0.000 6.243 0.000) 6.243 7.395 ( 0.000 2.061 0.000) 2.061 7.827 ( 0.000 -3.695 0.000) 3.695 7.956 ( 0.000 1.967 0.000) 1.967 8.052 ( 0.000 7.454 0.000) 7.454 8.155 ( 0.000 -4.339 0.000) 4.339 8.243 ( 0.000 8.097 0.000) 8.097 8.365 ( 0.000 -8.137 0.000) 8.137 8.403 ( 0.000 -5.148 0.000) 5.148 8.757 ( 0.000 3.425 0.000) 3.425 8.937 ( 0.000 -5.040 0.000) 5.040 8.999 ( 0.000 -11.759 0.000) 11.759 9.080 ( 0.000 -9.823 0.000) 9.823 9.095 ( 0.000 -7.973 0.000) 7.973 9.241 ( 0.000 -11.340 0.000) 11.340 9.641 ( 0.000 1.613 0.000) 1.613 9.791 ( 0.000 -9.564 0.000) 9.564 9.907 ( 0.000 -3.795 0.000) 3.795 11.824 ( 0.000 4.644 0.000) 4.644 11.859 ( 0.000 15.759 0.000) 15.759 12.013 ( 0.000 -0.328 0.000) 0.328 12.038 ( 0.000 4.984 0.000) 4.984 12.183 ( 0.000 4.884 0.000) 4.884 12.513 ( 0.000 0.350 0.000) 0.350 12.930 ( 0.000 -6.920 0.000) 6.920 13.084 ( 0.000 -11.427 0.000) 11.427 13.526 ( 0.000 9.890 0.000) 9.890 14.598 ( 0.000 -10.862 0.000) 10.862 14.904 ( 0.000 0.226 0.000) 0.226 14.964 ( 0.000 -1.509 0.000) 1.509 15.140 ( 0.000 6.600 0.000) 6.600 15.293 ( 0.000 0.649 0.000) 0.649 15.317 ( 0.000 0.931 0.000) 0.931 15.764 ( 0.000 -7.943 0.000) 7.943 16.695 ( 0.000 8.085 0.000) 8.085 16.724 ( 0.000 9.645 0.000) 9.645 17.412 ( 0.000 -7.278 0.000) 7.278 17.830 ( 0.000 -15.374 0.000) 15.374 23.854 ( 0.000 7.490 0.000) 7.490 23.961 ( 0.000 2.193 0.000) 2.193 24.138 ( 0.000 10.015 0.000) 10.015 24.410 ( 0.000 3.484 0.000) 3.484 24.427 ( 0.000 -5.240 0.000) 5.240 24.703 ( 0.000 -6.472 0.000) 6.472 24.790 ( 0.000 17.064 0.000) 17.064 26.139 ( 0.000 -13.653 0.000) 13.653 26.506 ( 0.000 7.121 0.000) 7.121 26.805 ( 0.000 2.766 0.000) 2.766 26.952 ( 0.000 -1.471 0.000) 1.471 27.367 ( 0.000 -7.437 0.000) 7.437 28.005 ( 0.000 2.977 0.000) 2.977 28.282 ( 0.000 -2.760 0.000) 2.760 28.850 ( 0.000 6.003 0.000) 6.003 29.920 ( 0.000 -18.491 0.000) 18.491 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 19.078 29.084 0.000) 34.783 1.621 ( 15.938 29.499 0.000) 33.529 2.612 ( -12.305 16.940 0.000) 20.937 2.751 ( -25.796 15.428 0.000) 30.058 2.964 ( 26.386 35.532 0.000) 44.258 3.512 ( 7.094 6.539 0.000) 9.648 3.811 ( 0.807 -4.354 0.000) 4.428 3.914 ( -3.852 -18.908 0.000) 19.296 3.917 ( 2.585 -16.547 0.000) 16.747 4.209 ( 4.013 0.174 0.000) 4.017 4.245 ( 0.029 10.140 0.000) 10.140 4.576 ( 1.771 0.759 0.000) 1.927 4.702 ( -0.928 -1.254 0.000) 1.560 5.056 ( 1.361 -5.221 0.000) 5.396 5.114 ( -4.556 1.954 0.000) 4.958 5.208 ( 1.653 -5.234 0.000) 5.489 5.273 ( -1.620 7.240 0.000) 7.419 5.348 ( -0.925 0.899 0.000) 1.290 5.367 ( -8.623 1.700 0.000) 8.789 5.424 ( -5.771 -0.740 0.000) 5.818 5.721 ( 6.219 11.217 0.000) 12.825 5.854 ( -1.299 0.969 0.000) 1.620 5.956 ( 6.413 4.393 0.000) 7.774 6.159 ( 2.312 -7.216 0.000) 7.578 6.161 ( -4.645 15.980 0.000) 16.642 6.348 ( 3.012 6.578 0.000) 7.235 6.571 ( -5.972 6.119 0.000) 8.550 6.717 ( -4.275 -5.105 0.000) 6.659 6.881 ( -2.180 12.979 0.000) 13.161 6.990 ( -2.869 5.875 0.000) 6.538 7.302 ( 6.529 1.945 0.000) 6.812 7.394 ( 0.290 0.635 0.000) 0.698 7.804 ( -2.071 -2.890 0.000) 3.555 7.876 ( -12.195 6.760 0.000) 13.943 7.959 ( -2.023 -0.448 0.000) 2.072 8.088 ( 0.189 5.412 0.000) 5.416 8.148 ( 0.047 -3.867 0.000) 3.867 8.318 ( -8.641 -12.047 0.000) 14.825 8.556 ( -9.459 -4.146 0.000) 10.328 8.607 ( 5.716 -3.140 0.000) 6.522 8.740 ( -2.208 2.041 0.000) 3.007 8.746 ( -7.602 -8.551 0.000) 11.442 9.134 ( 5.996 -0.945 0.000) 6.070 9.267 ( 2.625 -0.699 0.000) 2.717 9.503 ( 6.151 -8.496 0.000) 10.489 9.618 ( -1.978 2.985 0.000) 3.581 9.996 ( 16.755 -15.068 0.000) 22.534 10.211 ( 15.420 -21.466 0.000) 26.431 11.851 ( 2.038 4.906 0.000) 5.312 11.869 ( 0.801 13.626 0.000) 13.649 12.006 ( -0.745 1.439 0.000) 1.620 12.023 ( -1.320 4.988 0.000) 5.160 12.216 ( 2.875 4.331 0.000) 5.199 12.428 ( -5.761 1.206 0.000) 5.886 13.020 ( 5.587 -8.343 0.000) 10.040 13.097 ( 0.976 -11.295 0.000) 11.337 13.626 ( 9.603 12.361 0.000) 15.653 14.573 ( -27.896 10.800 0.000) 29.914 14.641 ( 3.673 -9.596 0.000) 10.275 14.855 ( -3.969 -1.755 0.000) 4.340 15.153 ( 1.225 5.853 0.000) 5.980 15.259 ( -2.602 1.675 0.000) 3.094 15.380 ( 5.472 -1.284 0.000) 5.621 15.697 ( -5.653 -7.354 0.000) 9.276 16.690 ( 0.082 8.280 0.000) 8.280 16.717 ( -0.551 9.326 0.000) 9.343 17.556 ( 8.972 -13.772 0.000) 16.437 17.804 ( -2.368 -15.787 0.000) 15.964 23.868 ( 1.251 7.128 0.000) 7.237 23.946 ( -1.307 2.913 0.000) 3.193 24.165 ( 2.854 10.007 0.000) 10.406 24.410 ( -2.108 -4.419 0.000) 4.896 24.447 ( 3.027 4.778 0.000) 5.656 24.703 ( 0.416 -4.249 0.000) 4.269 24.724 ( -6.141 16.008 0.000) 17.146 25.193 ( -40.124 16.531 0.000) 43.396 26.520 ( 1.167 7.166 0.000) 7.260 26.583 ( -1.744 6.488 0.000) 6.719 27.404 ( 3.099 -7.638 0.000) 8.243 27.534 ( 3.403 -13.679 0.000) 14.095 28.238 ( 13.982 1.274 0.000) 14.040 28.764 ( -7.429 5.322 0.000) 9.138 28.828 ( 40.823 -24.404 0.000) 47.561 29.839 ( -7.670 -20.862 0.000) 22.228 ======================= Grid point 12 (9/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -3.385 19.183 0.000) 19.480 2.051 ( 3.385 19.183 0.000) 19.480 2.196 ( -5.431 19.651 0.000) 20.388 2.196 ( 5.431 19.651 0.000) 20.388 3.548 ( -8.676 0.353 0.000) 8.684 3.548 ( 8.676 0.353 0.000) 8.684 3.893 ( -2.240 -18.042 0.000) 18.180 3.893 ( 2.240 -18.042 0.000) 18.180 4.042 ( -25.449 28.770 0.000) 38.410 4.042 ( 25.449 28.770 0.000) 38.410 4.291 ( -2.854 1.798 0.000) 3.373 4.291 ( 2.854 1.798 0.000) 3.373 4.950 ( -10.659 -3.303 0.000) 11.159 4.950 ( 10.659 -3.303 0.000) 11.159 5.135 ( -6.155 2.860 0.000) 6.787 5.135 ( 6.155 2.860 0.000) 6.787 5.291 ( -4.070 -0.904 0.000) 4.170 5.291 ( 4.070 -0.904 0.000) 4.170 5.310 ( -2.509 -1.189 0.000) 2.776 5.310 ( 2.509 -1.189 0.000) 2.776 5.855 ( -2.585 1.169 0.000) 2.837 5.855 ( 2.585 1.169 0.000) 2.837 6.042 ( -3.418 13.704 0.000) 14.124 6.042 ( 3.418 13.704 0.000) 14.124 6.298 ( -7.460 3.897 0.000) 8.417 6.298 ( 7.460 3.897 0.000) 8.417 6.589 ( -5.848 -2.429 0.000) 6.332 6.589 ( 5.848 -2.429 0.000) 6.332 6.892 ( -3.868 7.643 0.000) 8.566 6.892 ( 3.868 7.643 0.000) 8.566 7.400 ( -1.181 -1.216 0.000) 1.695 7.400 ( 1.181 -1.216 0.000) 1.695 7.752 ( -0.709 0.051 0.000) 0.711 7.752 ( 0.709 0.051 0.000) 0.711 7.972 ( -4.406 -3.504 0.000) 5.630 7.972 ( 4.406 -3.504 0.000) 5.630 8.177 ( -2.372 -1.796 0.000) 2.976 8.177 ( 2.372 -1.796 0.000) 2.976 8.568 ( -4.500 -7.142 0.000) 8.441 8.568 ( 4.500 -7.142 0.000) 8.441 8.719 ( -0.775 1.469 0.000) 1.661 8.719 ( 0.775 1.469 0.000) 1.661 9.252 ( -3.498 1.434 0.000) 3.781 9.252 ( 3.498 1.434 0.000) 3.781 9.570 ( -1.977 -2.193 0.000) 2.953 9.570 ( 1.977 -2.193 0.000) 2.953 10.307 ( -6.993 -22.107 0.000) 23.187 10.307 ( 6.993 -22.107 0.000) 23.187 11.883 ( -0.163 7.935 0.000) 7.937 11.883 ( 0.163 7.935 0.000) 7.937 11.995 ( -0.499 4.713 0.000) 4.740 11.995 ( 0.499 4.713 0.000) 4.740 12.304 ( -4.897 2.958 0.000) 5.721 12.304 ( 4.897 2.958 0.000) 5.721 13.102 ( -1.326 -10.355 0.000) 10.440 13.102 ( 1.326 -10.355 0.000) 10.440 13.982 ( -22.108 15.776 0.000) 27.160 13.982 ( 22.108 15.776 0.000) 27.160 14.747 ( -5.272 -6.053 0.000) 8.026 14.747 ( 5.272 -6.053 0.000) 8.026 15.196 ( -2.581 3.910 0.000) 4.685 15.196 ( 2.581 3.910 0.000) 4.685 15.537 ( -7.870 -5.071 0.000) 9.362 15.537 ( 7.870 -5.071 0.000) 9.362 16.701 ( -0.778 8.654 0.000) 8.689 16.701 ( 0.778 8.654 0.000) 8.689 17.719 ( -5.356 -16.365 0.000) 17.219 17.719 ( 5.356 -16.365 0.000) 17.219 23.907 ( -1.991 5.185 0.000) 5.554 23.907 ( 1.991 5.185 0.000) 5.554 24.288 ( -7.839 6.872 0.000) 10.425 24.288 ( 7.839 6.872 0.000) 10.425 24.542 ( -6.242 10.691 0.000) 12.380 24.542 ( 6.242 10.691 0.000) 12.380 24.757 ( -5.859 3.788 0.000) 6.977 24.757 ( 5.859 3.788 0.000) 6.977 26.551 ( -1.428 6.951 0.000) 7.096 26.551 ( 1.428 6.951 0.000) 7.096 27.489 ( -4.005 -8.732 0.000) 9.607 27.489 ( 4.005 -8.732 0.000) 9.607 28.536 ( -12.363 3.427 0.000) 12.829 28.536 ( 12.363 3.427 0.000) 12.829 29.535 ( -21.024 -27.046 0.000) 34.256 29.535 ( 21.024 -27.046 0.000) 34.256 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 0.000 34.792 0.000) 34.792 2.138 ( 0.000 33.146 0.000) 33.146 3.014 ( 0.000 11.769 0.000) 11.769 3.174 ( 0.000 -13.997 0.000) 13.997 3.228 ( 0.000 -2.038 0.000) 2.038 3.595 ( 0.000 -11.914 0.000) 11.914 3.663 ( 0.000 12.532 0.000) 12.532 3.683 ( 0.000 -3.661 0.000) 3.661 3.777 ( 0.000 22.927 0.000) 22.927 4.110 ( 0.000 -4.461 0.000) 4.461 4.150 ( 0.000 -9.997 0.000) 9.997 4.564 ( 0.000 16.930 0.000) 16.930 4.810 ( 0.000 -14.273 0.000) 14.273 4.834 ( 0.000 2.901 0.000) 2.901 5.040 ( 0.000 -7.865 0.000) 7.865 5.057 ( 0.000 -6.686 0.000) 6.686 5.271 ( 0.000 -8.139 0.000) 8.139 5.340 ( 0.000 -9.719 0.000) 9.719 5.375 ( 0.000 0.520 0.000) 0.520 5.418 ( 0.000 -2.921 0.000) 2.921 5.940 ( 0.000 8.585 0.000) 8.585 6.005 ( 0.000 9.522 0.000) 9.522 6.112 ( 0.000 7.721 0.000) 7.721 6.113 ( 0.000 10.193 0.000) 10.193 6.300 ( 0.000 3.763 0.000) 3.763 6.592 ( 0.000 -11.173 0.000) 11.173 6.653 ( 0.000 17.234 0.000) 17.234 6.928 ( 0.000 7.960 0.000) 7.960 7.066 ( 0.000 5.087 0.000) 5.087 7.175 ( 0.000 12.445 0.000) 12.445 7.255 ( 0.000 -1.429 0.000) 1.429 7.439 ( 0.000 1.282 0.000) 1.282 7.783 ( 0.000 0.788 0.000) 0.788 8.022 ( 0.000 4.619 0.000) 4.619 8.107 ( 0.000 0.978 0.000) 0.978 8.159 ( 0.000 -12.658 0.000) 12.658 8.249 ( 0.000 12.588 0.000) 12.588 8.295 ( 0.000 -5.300 0.000) 5.300 8.407 ( 0.000 7.493 0.000) 7.493 8.723 ( 0.000 -14.799 0.000) 14.799 8.766 ( 0.000 -11.088 0.000) 11.088 8.832 ( 0.000 4.513 0.000) 4.513 8.901 ( 0.000 -11.304 0.000) 11.304 8.973 ( 0.000 -2.826 0.000) 2.826 9.099 ( 0.000 -2.322 0.000) 2.322 9.506 ( 0.000 -18.025 0.000) 18.025 9.688 ( 0.000 3.017 0.000) 3.017 9.828 ( 0.000 -4.023 0.000) 4.023 11.917 ( 0.000 4.521 0.000) 4.521 12.013 ( 0.000 -0.205 0.000) 0.205 12.123 ( 0.000 10.554 0.000) 10.554 12.165 ( 0.000 7.293 0.000) 7.293 12.317 ( 0.000 9.180 0.000) 9.180 12.516 ( 0.000 0.415 0.000) 0.415 12.762 ( 0.000 -9.877 0.000) 9.877 12.825 ( 0.000 -14.497 0.000) 14.497 13.769 ( 0.000 14.419 0.000) 14.419 14.355 ( 0.000 -13.847 0.000) 13.847 14.908 ( 0.000 0.243 0.000) 0.243 14.936 ( 0.000 -1.299 0.000) 1.299 15.277 ( 0.000 7.432 0.000) 7.432 15.310 ( 0.000 0.979 0.000) 0.979 15.329 ( 0.000 0.282 0.000) 0.282 15.598 ( 0.000 -8.764 0.000) 8.764 16.870 ( 0.000 9.606 0.000) 9.606 16.947 ( 0.000 12.946 0.000) 12.946 17.249 ( 0.000 -9.127 0.000) 9.127 17.521 ( 0.000 -15.799 0.000) 15.799 24.016 ( 0.000 8.797 0.000) 8.797 24.039 ( 0.000 5.565 0.000) 5.565 24.257 ( 0.000 1.036 0.000) 1.036 24.307 ( 0.000 -6.898 0.000) 6.898 24.478 ( 0.000 3.145 0.000) 3.145 24.585 ( 0.000 -4.657 0.000) 4.657 25.143 ( 0.000 18.617 0.000) 18.617 25.844 ( 0.000 -16.368 0.000) 16.368 26.692 ( 0.000 11.676 0.000) 11.676 26.850 ( 0.000 2.000 0.000) 2.000 26.921 ( 0.000 -1.715 0.000) 1.715 27.184 ( 0.000 -11.175 0.000) 11.175 28.071 ( 0.000 3.679 0.000) 3.679 28.219 ( 0.000 -3.561 0.000) 3.561 29.003 ( 0.000 9.744 0.000) 9.744 29.554 ( 0.000 -18.110 0.000) 18.110 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 11.907 31.334 0.000) 33.520 2.209 ( 8.087 30.092 0.000) 31.160 2.927 ( -13.264 16.632 0.000) 21.273 3.017 ( -18.608 10.076 0.000) 21.161 3.224 ( 4.859 -14.610 0.000) 15.397 3.393 ( -0.778 -17.978 0.000) 17.995 3.594 ( -1.967 -16.416 0.000) 16.534 3.607 ( -12.321 -10.733 0.000) 16.340 4.005 ( 19.380 28.502 0.000) 34.466 4.273 ( 14.023 5.911 0.000) 15.218 4.500 ( 16.476 -4.981 0.000) 17.213 4.537 ( -0.111 15.535 0.000) 15.536 4.785 ( -2.986 5.677 0.000) 6.414 4.938 ( 7.310 -7.205 0.000) 10.264 5.038 ( -0.264 -7.293 0.000) 7.297 5.049 ( -1.749 -7.052 0.000) 7.266 5.241 ( -2.235 -4.957 0.000) 5.438 5.366 ( -0.340 2.446 0.000) 2.469 5.437 ( 5.776 -4.257 0.000) 7.175 5.468 ( 1.510 0.724 0.000) 1.675 5.850 ( -1.194 4.108 0.000) 4.278 5.987 ( -9.302 11.684 0.000) 14.934 6.026 ( 0.200 2.194 0.000) 2.203 6.187 ( 5.675 9.569 0.000) 11.125 6.321 ( 0.126 -0.006 0.000) 0.126 6.554 ( -8.387 13.612 0.000) 15.988 6.577 ( -1.340 -8.612 0.000) 8.716 6.715 ( -11.518 6.564 0.000) 13.257 7.098 ( -0.985 5.447 0.000) 5.535 7.142 ( -2.858 12.764 0.000) 13.080 7.291 ( 3.164 -3.191 0.000) 4.493 7.409 ( -2.131 0.240 0.000) 2.145 7.760 ( -1.490 -0.667 0.000) 1.632 7.921 ( -6.066 -2.457 0.000) 6.544 7.961 ( -14.916 1.046 0.000) 14.953 8.026 ( -11.239 -12.355 0.000) 16.702 8.145 ( 2.321 3.796 0.000) 4.450 8.262 ( -0.409 7.140 0.000) 7.152 8.478 ( -3.636 -10.597 0.000) 11.204 8.480 ( -8.060 -3.910 0.000) 8.958 8.709 ( 8.187 6.623 0.000) 10.530 8.823 ( -0.043 8.050 0.000) 8.050 9.136 ( 8.703 0.696 0.000) 8.731 9.185 ( 9.662 -8.787 0.000) 13.060 9.365 ( 10.069 -5.428 0.000) 11.439 9.629 ( 11.688 -21.217 0.000) 24.224 9.660 ( -3.489 1.811 0.000) 3.931 9.868 ( 3.278 -12.938 0.000) 13.347 11.947 ( 2.518 4.630 0.000) 5.270 12.032 ( 1.644 0.745 0.000) 1.805 12.083 ( -2.786 8.204 0.000) 8.664 12.146 ( -2.099 6.382 0.000) 6.718 12.339 ( 1.939 8.770 0.000) 8.982 12.464 ( -3.253 3.287 0.000) 4.625 12.824 ( 3.528 -11.386 0.000) 11.920 12.842 ( 1.335 -14.354 0.000) 14.416 13.895 ( 11.248 14.500 0.000) 18.352 14.429 ( 6.336 -12.041 0.000) 13.606 14.710 ( -18.031 4.412 0.000) 18.563 14.818 ( -7.450 -2.066 0.000) 7.731 15.273 ( -0.225 6.416 0.000) 6.420 15.295 ( -1.024 2.004 0.000) 2.251 15.359 ( 2.601 -1.077 0.000) 2.815 15.548 ( -4.056 -7.637 0.000) 8.647 16.875 ( 0.650 10.370 0.000) 10.390 16.934 ( -1.143 12.547 0.000) 12.599 17.311 ( 4.584 -11.782 0.000) 12.643 17.494 ( -2.427 -15.612 0.000) 15.799 24.016 ( 0.046 7.959 0.000) 7.959 24.032 ( -0.538 5.754 0.000) 5.779 24.258 ( 0.386 -0.918 0.000) 0.996 24.298 ( -0.744 -6.659 0.000) 6.700 24.548 ( 6.070 4.816 0.000) 7.748 24.640 ( 5.243 -1.874 0.000) 5.568 25.017 ( -9.888 13.838 0.000) 17.007 25.343 ( -29.643 0.129 0.000) 29.643 26.709 ( 1.269 11.880 0.000) 11.947 26.744 ( -0.544 9.884 0.000) 9.899 27.215 ( 2.502 -11.581 0.000) 11.849 27.241 ( 7.469 -15.183 0.000) 16.921 28.282 ( 15.017 3.213 0.000) 15.357 28.513 ( 24.878 -10.304 0.000) 26.927 28.902 ( -8.770 8.952 0.000) 12.533 29.442 ( -10.203 -18.845 0.000) 21.429 ======================= Grid point 17 (12/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( -1.762 23.547 0.000) 23.613 2.478 ( 1.762 23.547 0.000) 23.613 2.603 ( -0.094 21.807 0.000) 21.807 2.603 ( 0.094 21.807 0.000) 21.807 3.369 ( -8.075 -16.882 0.000) 18.714 3.369 ( 8.075 -16.882 0.000) 18.714 3.493 ( -6.040 -21.579 0.000) 22.408 3.493 ( 6.040 -21.579 0.000) 22.408 4.401 ( -6.858 11.886 0.000) 13.723 4.401 ( 6.858 11.886 0.000) 13.723 4.599 ( -5.993 17.178 0.000) 18.193 4.599 ( 5.993 17.178 0.000) 18.193 4.890 ( -10.184 -0.988 0.000) 10.232 4.890 ( 10.184 -0.988 0.000) 10.232 5.051 ( -1.054 -8.505 0.000) 8.570 5.051 ( 1.054 -8.505 0.000) 8.570 5.270 ( -7.933 5.588 0.000) 9.704 5.270 ( 7.933 5.588 0.000) 9.704 5.456 ( -1.185 7.089 0.000) 7.187 5.456 ( 1.185 7.089 0.000) 7.187 5.879 ( -0.017 1.707 0.000) 1.707 5.879 ( 0.017 1.707 0.000) 1.707 6.189 ( -12.790 -7.012 0.000) 14.586 6.189 ( 12.790 -7.012 0.000) 14.586 6.347 ( -9.267 8.425 0.000) 12.524 6.347 ( 9.267 8.425 0.000) 12.524 6.554 ( -0.831 -0.847 0.000) 1.187 6.554 ( 0.831 -0.847 0.000) 1.187 7.082 ( -1.204 10.575 0.000) 10.644 7.082 ( 1.204 10.575 0.000) 10.644 7.360 ( -2.463 -2.962 0.000) 3.852 7.360 ( 2.463 -2.962 0.000) 3.852 7.753 ( -2.750 -0.076 0.000) 2.751 7.753 ( 2.750 -0.076 0.000) 2.751 7.861 ( -1.260 -6.430 0.000) 6.552 7.861 ( 1.260 -6.430 0.000) 6.552 8.210 ( -3.299 3.901 0.000) 5.109 8.210 ( 3.299 3.901 0.000) 5.109 8.425 ( -0.830 -7.065 0.000) 7.114 8.425 ( 0.830 -7.065 0.000) 7.114 8.827 ( -1.559 10.447 0.000) 10.563 8.827 ( 1.559 10.447 0.000) 10.563 9.261 ( -1.632 -1.750 0.000) 2.393 9.261 ( 1.632 -1.750 0.000) 2.393 9.535 ( -6.892 -0.994 0.000) 6.964 9.535 ( 6.892 -0.994 0.000) 6.964 9.864 ( -5.805 -21.691 0.000) 22.454 9.864 ( 5.805 -21.691 0.000) 22.454 12.015 ( -3.194 5.631 0.000) 6.474 12.015 ( 3.194 5.631 0.000) 6.474 12.084 ( -2.904 3.334 0.000) 4.421 12.084 ( 2.904 3.334 0.000) 4.421 12.395 ( -2.855 7.164 0.000) 7.712 12.395 ( 2.855 7.164 0.000) 7.712 12.865 ( -0.064 -13.531 0.000) 13.531 12.865 ( 0.064 -13.531 0.000) 13.531 14.256 ( -19.939 12.079 0.000) 23.312 14.256 ( 19.939 12.079 0.000) 23.312 14.616 ( -9.610 -7.297 0.000) 12.066 14.616 ( 9.610 -7.297 0.000) 12.066 15.275 ( -0.547 4.144 0.000) 4.180 15.275 ( 0.547 4.144 0.000) 4.180 15.443 ( -4.687 -4.547 0.000) 6.531 15.443 ( 4.687 -4.547 0.000) 6.531 16.901 ( -1.543 11.551 0.000) 11.654 16.901 ( 1.543 11.551 0.000) 11.654 17.416 ( -4.327 -14.623 0.000) 15.249 17.416 ( 4.327 -14.623 0.000) 15.249 24.021 ( -0.363 6.529 0.000) 6.539 24.021 ( 0.363 6.529 0.000) 6.539 24.277 ( -1.052 -4.820 0.000) 4.933 24.277 ( 1.052 -4.820 0.000) 4.933 24.758 ( -12.313 8.641 0.000) 15.042 24.758 ( 12.313 8.641 0.000) 15.042 24.840 ( -13.904 3.521 0.000) 14.343 24.840 ( 13.904 3.521 0.000) 14.343 26.736 ( -0.837 11.830 0.000) 11.860 26.736 ( 0.837 11.830 0.000) 11.860 27.273 ( -1.965 -13.078 0.000) 13.225 27.273 ( 1.965 -13.078 0.000) 13.225 28.629 ( -14.857 6.358 0.000) 16.160 28.629 ( 14.857 6.358 0.000) 16.160 29.083 ( -21.909 -18.719 0.000) 28.817 29.083 ( 21.909 -18.719 0.000) 28.817 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 0.000 -30.661 0.000) 30.661 2.694 ( 0.000 30.661 0.000) 30.661 2.741 ( 0.000 -27.805 0.000) 27.805 2.741 ( 0.000 27.805 0.000) 27.805 3.354 ( 0.000 -12.515 0.000) 12.515 3.354 ( 0.000 12.515 0.000) 12.515 3.749 ( 0.000 -3.852 0.000) 3.852 3.749 ( 0.000 3.852 0.000) 3.852 4.045 ( 0.000 -0.744 0.000) 0.744 4.045 ( 0.000 0.744 0.000) 0.744 4.387 ( 0.000 -29.270 0.000) 29.270 4.387 ( 0.000 29.270 0.000) 29.270 4.875 ( 0.000 -13.665 0.000) 13.665 4.875 ( 0.000 13.665 0.000) 13.665 4.910 ( 0.000 -5.177 0.000) 5.177 4.910 ( 0.000 5.177 0.000) 5.177 5.186 ( 0.000 -1.123 0.000) 1.123 5.186 ( 0.000 1.123 0.000) 1.123 5.384 ( 0.000 -0.763 0.000) 0.763 5.384 ( 0.000 0.763 0.000) 0.763 6.071 ( 0.000 -3.251 0.000) 3.251 6.071 ( 0.000 3.251 0.000) 3.251 6.278 ( 0.000 -5.696 0.000) 5.696 6.278 ( 0.000 5.696 0.000) 5.696 6.339 ( 0.000 -13.905 0.000) 13.905 6.339 ( 0.000 13.905 0.000) 13.905 6.925 ( 0.000 -8.647 0.000) 8.647 6.925 ( 0.000 8.647 0.000) 8.647 7.179 ( 0.000 -5.513 0.000) 5.513 7.179 ( 0.000 5.513 0.000) 5.513 7.381 ( 0.000 -7.625 0.000) 7.625 7.381 ( 0.000 7.625 0.000) 7.625 7.906 ( 0.000 -11.351 0.000) 11.351 7.906 ( 0.000 11.351 0.000) 11.351 8.120 ( 0.000 -4.231 0.000) 4.231 8.120 ( 0.000 4.231 0.000) 4.231 8.327 ( 0.000 -11.841 0.000) 11.841 8.327 ( 0.000 11.841 0.000) 11.841 8.522 ( 0.000 -13.985 0.000) 13.985 8.522 ( 0.000 13.985 0.000) 13.985 8.683 ( 0.000 -9.774 0.000) 9.774 8.683 ( 0.000 9.774 0.000) 9.774 8.919 ( 0.000 -3.489 0.000) 3.489 8.919 ( 0.000 3.489 0.000) 3.489 9.185 ( 0.000 -11.823 0.000) 11.823 9.185 ( 0.000 11.823 0.000) 11.823 9.754 ( 0.000 -3.605 0.000) 3.605 9.754 ( 0.000 3.605 0.000) 3.605 11.988 ( 0.000 -2.512 0.000) 2.512 11.988 ( 0.000 2.512 0.000) 2.512 12.247 ( 0.000 -1.166 0.000) 1.166 12.247 ( 0.000 1.166 0.000) 1.166 12.543 ( 0.000 -13.634 0.000) 13.634 12.543 ( 0.000 13.634 0.000) 13.634 12.578 ( 0.000 -7.242 0.000) 7.242 12.578 ( 0.000 7.242 0.000) 7.242 14.066 ( 0.000 -15.402 0.000) 15.402 14.066 ( 0.000 15.402 0.000) 15.402 14.916 ( 0.000 -0.673 0.000) 0.673 14.916 ( 0.000 0.673 0.000) 0.673 15.326 ( 0.000 -0.587 0.000) 0.587 15.326 ( 0.000 0.587 0.000) 0.587 15.430 ( 0.000 -8.247 0.000) 8.247 15.430 ( 0.000 8.247 0.000) 8.247 17.062 ( 0.000 -9.846 0.000) 9.846 17.062 ( 0.000 9.846 0.000) 9.846 17.220 ( 0.000 -14.829 0.000) 14.829 17.220 ( 0.000 14.829 0.000) 14.829 24.167 ( 0.000 -7.163 0.000) 7.163 24.167 ( 0.000 7.163 0.000) 7.163 24.181 ( 0.000 -7.388 0.000) 7.388 24.181 ( 0.000 7.388 0.000) 7.388 24.528 ( 0.000 -2.097 0.000) 2.097 24.528 ( 0.000 2.097 0.000) 2.097 25.505 ( 0.000 -18.150 0.000) 18.150 25.505 ( 0.000 18.150 0.000) 18.150 26.887 ( 0.000 -1.769 0.000) 1.769 26.887 ( 0.000 1.769 0.000) 1.769 26.941 ( 0.000 -13.164 0.000) 13.164 26.941 ( 0.000 13.164 0.000) 13.164 28.146 ( 0.000 -3.865 0.000) 3.865 28.146 ( 0.000 3.865 0.000) 3.865 29.235 ( 0.000 -14.147 0.000) 14.147 29.235 ( 0.000 14.147 0.000) 14.147 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 4.012 -27.263 0.000) 27.557 2.776 ( 4.012 27.263 0.000) 27.557 2.782 ( 7.337 -28.098 0.000) 29.040 2.782 ( 7.337 28.098 0.000) 29.040 3.263 ( -7.783 -17.351 0.000) 19.016 3.263 ( -7.783 17.351 0.000) 19.016 3.377 ( -19.489 -12.145 0.000) 22.963 3.377 ( -19.489 12.145 0.000) 22.963 4.397 ( 17.320 -5.938 0.000) 18.309 4.397 ( 17.320 5.938 0.000) 18.309 4.526 ( 8.858 -19.741 0.000) 21.637 4.526 ( 8.858 19.741 0.000) 21.637 4.898 ( -0.571 -6.357 0.000) 6.383 4.898 ( -0.571 6.357 0.000) 6.383 4.943 ( 4.108 -7.290 0.000) 8.368 4.943 ( 4.108 7.290 0.000) 8.368 5.235 ( 6.403 -7.732 0.000) 10.040 5.235 ( 6.403 7.732 0.000) 10.040 5.432 ( 3.612 -3.495 0.000) 5.026 5.432 ( 3.612 3.495 0.000) 5.026 5.987 ( -5.541 -6.515 0.000) 8.553 5.987 ( -5.541 6.515 0.000) 8.553 6.218 ( -6.524 -9.812 0.000) 11.783 6.218 ( -6.524 9.812 0.000) 11.783 6.390 ( 3.690 -10.298 0.000) 10.939 6.390 ( 3.690 10.298 0.000) 10.939 6.753 ( -13.415 -4.482 0.000) 14.144 6.753 ( -13.415 4.482 0.000) 14.144 7.199 ( 1.891 -5.155 0.000) 5.491 7.199 ( 1.891 5.155 0.000) 5.491 7.348 ( -2.879 -7.331 0.000) 7.876 7.348 ( -2.879 7.331 0.000) 7.876 7.819 ( -5.327 -7.320 0.000) 9.053 7.819 ( -5.327 7.320 0.000) 9.053 7.926 ( -11.716 -2.875 0.000) 12.064 7.926 ( -11.716 2.875 0.000) 12.064 8.276 ( -0.209 -9.053 0.000) 9.056 8.276 ( -0.209 9.053 0.000) 9.056 8.392 ( -6.050 -5.414 0.000) 8.119 8.392 ( -6.050 5.414 0.000) 8.119 8.936 ( 12.677 -14.585 0.000) 19.325 8.936 ( 12.677 14.585 0.000) 19.325 9.063 ( 5.403 -12.536 0.000) 13.651 9.063 ( 5.403 12.536 0.000) 13.651 9.320 ( 11.573 -4.062 0.000) 12.265 9.320 ( 11.573 4.062 0.000) 12.265 9.711 ( -3.872 -4.179 0.000) 5.697 9.711 ( -3.872 4.179 0.000) 5.697 12.018 ( 2.563 -2.284 0.000) 3.433 12.018 ( 2.563 2.284 0.000) 3.433 12.192 ( -4.105 -2.314 0.000) 4.713 12.192 ( -4.105 2.314 0.000) 4.713 12.562 ( 1.528 -13.540 0.000) 13.626 12.562 ( 1.528 13.540 0.000) 13.626 12.600 ( 1.024 -10.475 0.000) 10.525 12.600 ( 1.024 10.475 0.000) 10.525 14.175 ( 9.443 -13.800 0.000) 16.722 14.175 ( 9.443 13.800 0.000) 16.722 14.774 ( -11.704 -2.530 0.000) 11.975 14.774 ( -11.704 2.530 0.000) 11.975 15.332 ( 0.570 -1.681 0.000) 1.774 15.332 ( 0.570 1.681 0.000) 1.774 15.404 ( -2.043 -7.039 0.000) 7.330 15.404 ( -2.043 7.039 0.000) 7.330 17.087 ( 2.080 -11.203 0.000) 11.395 17.087 ( 2.080 11.203 0.000) 11.395 17.199 ( -1.841 -14.431 0.000) 14.548 17.199 ( -1.841 14.431 0.000) 14.548 24.160 ( -0.421 -7.109 0.000) 7.121 24.160 ( -0.421 7.109 0.000) 7.121 24.168 ( -0.870 -7.045 0.000) 7.099 24.168 ( -0.870 7.045 0.000) 7.099 24.612 ( 7.436 -1.819 0.000) 7.656 24.612 ( 7.436 1.819 0.000) 7.656 25.247 ( -18.173 -9.056 0.000) 20.305 25.247 ( -18.173 9.056 0.000) 20.305 26.964 ( 1.744 -13.582 0.000) 13.694 26.964 ( 1.744 13.582 0.000) 13.694 26.966 ( 3.876 -12.763 0.000) 13.339 26.966 ( 3.876 12.763 0.000) 13.339 28.366 ( 17.524 -5.530 0.000) 18.376 28.366 ( 17.524 5.530 0.000) 18.376 29.122 ( -10.066 -13.711 0.000) 17.009 29.122 ( -10.066 13.711 0.000) 17.009 ======================= Grid point 24 (15/90) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -3.565 -14.653 0.000) 15.081 2.920 ( 3.565 -14.653 0.000) 15.081 2.920 ( -3.565 14.653 0.000) 15.081 2.920 ( 3.565 14.653 0.000) 15.081 3.082 ( -1.631 -13.974 0.000) 14.069 3.082 ( 1.631 -13.974 0.000) 14.069 3.082 ( -1.631 13.974 0.000) 14.069 3.082 ( 1.631 13.974 0.000) 14.069 4.629 ( -1.666 -9.379 0.000) 9.526 4.629 ( 1.666 -9.379 0.000) 9.526 4.629 ( -1.666 9.379 0.000) 9.526 4.629 ( 1.666 9.379 0.000) 9.526 4.930 ( -3.706 -3.618 0.000) 5.179 4.930 ( 3.706 -3.618 0.000) 5.179 4.930 ( -3.706 3.618 0.000) 5.179 4.930 ( 3.706 3.618 0.000) 5.179 5.458 ( -5.528 -8.424 0.000) 10.075 5.458 ( 5.528 -8.424 0.000) 10.075 5.458 ( -5.528 8.424 0.000) 10.075 5.458 ( 5.528 8.424 0.000) 10.075 5.978 ( -9.168 -9.884 0.000) 13.481 5.978 ( 9.168 -9.884 0.000) 13.481 5.978 ( -9.168 9.884 0.000) 13.481 5.978 ( 9.168 9.884 0.000) 13.481 6.501 ( -7.113 -5.516 0.000) 9.002 6.501 ( 7.113 -5.516 0.000) 9.002 6.501 ( -7.113 5.516 0.000) 9.002 6.501 ( 7.113 5.516 0.000) 9.002 7.265 ( -3.857 -7.322 0.000) 8.276 7.265 ( 3.857 -7.322 0.000) 8.276 7.265 ( -3.857 7.322 0.000) 8.276 7.265 ( 3.857 7.322 0.000) 8.276 7.768 ( -1.859 -2.496 0.000) 3.112 7.768 ( 1.859 -2.496 0.000) 3.112 7.768 ( -1.859 2.496 0.000) 3.112 7.768 ( 1.859 2.496 0.000) 3.112 8.302 ( -2.384 -5.444 0.000) 5.943 8.302 ( 2.384 -5.444 0.000) 5.943 8.302 ( -2.384 5.444 0.000) 5.943 8.302 ( 2.384 5.444 0.000) 5.943 9.103 ( -2.147 -14.673 0.000) 14.829 9.103 ( 2.147 -14.673 0.000) 14.829 9.103 ( -2.147 14.673 0.000) 14.829 9.103 ( 2.147 14.673 0.000) 14.829 9.571 ( -8.988 -6.623 0.000) 11.164 9.571 ( 8.988 -6.623 0.000) 11.164 9.571 ( -8.988 6.623 0.000) 11.164 9.571 ( 8.988 6.623 0.000) 11.164 12.095 ( -4.127 -2.135 0.000) 4.646 12.095 ( 4.127 -2.135 0.000) 4.646 12.095 ( -4.127 2.135 0.000) 4.646 12.095 ( 4.127 2.135 0.000) 4.646 12.598 ( -1.215 -12.953 0.000) 13.010 12.598 ( 1.215 -12.953 0.000) 13.010 12.598 ( -1.215 12.953 0.000) 13.010 12.598 ( 1.215 12.953 0.000) 13.010 14.459 ( -14.801 -8.958 0.000) 17.301 14.459 ( 14.801 -8.958 0.000) 17.301 14.459 ( -14.801 8.958 0.000) 17.301 14.459 ( 14.801 8.958 0.000) 17.301 15.357 ( -1.757 -4.263 0.000) 4.611 15.357 ( 1.757 -4.263 0.000) 4.611 15.357 ( -1.757 4.263 0.000) 4.611 15.357 ( 1.757 4.263 0.000) 4.611 17.145 ( -2.785 -13.209 0.000) 13.499 17.145 ( 2.785 -13.209 0.000) 13.499 17.145 ( -2.785 13.209 0.000) 13.499 17.145 ( 2.785 13.209 0.000) 13.499 24.155 ( -0.123 -6.964 0.000) 6.965 24.155 ( 0.123 -6.964 0.000) 6.965 24.155 ( -0.123 6.964 0.000) 6.965 24.155 ( 0.123 6.964 0.000) 6.965 24.860 ( -14.670 -1.916 0.000) 14.795 24.860 ( -14.670 1.916 0.000) 14.795 24.860 ( 14.670 -1.916 0.000) 14.795 24.860 ( 14.670 1.916 0.000) 14.795 26.998 ( -0.668 -14.422 0.000) 14.437 26.998 ( 0.668 -14.422 0.000) 14.437 26.998 ( -0.668 14.422 0.000) 14.437 26.998 ( 0.668 14.422 0.000) 14.437 28.796 ( -18.359 -11.121 0.000) 21.465 28.796 ( 18.359 -11.121 0.000) 21.465 28.796 ( -18.359 11.121 0.000) 21.465 28.796 ( 18.359 11.121 0.000) 21.465 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.000 0.000 34.809) 34.809 0.752 ( 0.000 0.000 37.864) 37.864 1.262 ( 0.000 0.000 63.547) 63.547 2.621 ( 0.000 0.000 6.599) 6.599 2.820 ( 0.000 0.000 6.743) 6.743 3.013 ( 0.000 0.000 -3.160) 3.160 3.680 ( 0.000 0.000 -5.667) 5.667 4.165 ( 0.000 0.000 -8.744) 8.744 4.313 ( 0.000 0.000 -2.165) 2.165 4.316 ( 0.000 0.000 -5.399) 5.399 4.520 ( 0.000 0.000 0.977) 0.977 4.611 ( 0.000 0.000 -0.557) 0.557 4.666 ( 0.000 0.000 0.173) 0.173 4.714 ( 0.000 0.000 -7.181) 7.181 5.078 ( 0.000 0.000 -2.314) 2.314 5.142 ( 0.000 0.000 -4.047) 4.047 5.173 ( 0.000 0.000 -3.718) 3.718 5.304 ( 0.000 0.000 0.397) 0.397 5.340 ( 0.000 0.000 0.790) 0.790 5.343 ( 0.000 0.000 3.247) 3.247 5.541 ( 0.000 0.000 -0.125) 0.125 5.712 ( 0.000 0.000 18.529) 18.529 5.840 ( 0.000 0.000 -1.770) 1.770 5.928 ( 0.000 0.000 -7.559) 7.559 6.289 ( 0.000 0.000 -0.306) 0.306 6.380 ( 0.000 0.000 -4.070) 4.070 6.509 ( 0.000 0.000 -1.624) 1.624 6.586 ( 0.000 0.000 5.614) 5.614 6.724 ( 0.000 0.000 -5.215) 5.215 6.852 ( 0.000 0.000 -6.945) 6.945 7.199 ( 0.000 0.000 -1.206) 1.206 7.400 ( 0.000 0.000 4.897) 4.897 7.554 ( 0.000 0.000 -1.608) 1.608 7.885 ( 0.000 0.000 -2.768) 2.768 7.933 ( 0.000 0.000 -4.282) 4.282 8.044 ( 0.000 0.000 0.331) 0.331 8.229 ( 0.000 0.000 -4.367) 4.367 8.467 ( 0.000 0.000 -4.286) 4.286 8.611 ( 0.000 0.000 6.118) 6.118 8.934 ( 0.000 0.000 -7.445) 7.445 9.155 ( 0.000 0.000 -8.649) 8.649 9.176 ( 0.000 0.000 0.546) 0.546 9.242 ( 0.000 0.000 1.718) 1.718 9.322 ( 0.000 0.000 1.288) 1.288 9.402 ( 0.000 0.000 -6.994) 6.994 9.657 ( 0.000 0.000 1.686) 1.686 9.798 ( 0.000 0.000 -1.429) 1.429 10.539 ( 0.000 0.000 -8.674) 8.674 11.394 ( 0.000 0.000 0.606) 0.606 11.680 ( 0.000 0.000 3.237) 3.237 11.715 ( 0.000 0.000 -0.415) 0.415 11.968 ( 0.000 0.000 1.939) 1.939 12.219 ( 0.000 0.000 12.247) 12.247 12.544 ( 0.000 0.000 4.747) 4.747 13.358 ( 0.000 0.000 -0.190) 0.190 13.359 ( 0.000 0.000 4.269) 4.269 13.395 ( 0.000 0.000 -0.093) 0.093 13.641 ( 0.000 0.000 4.464) 4.464 14.875 ( 0.000 0.000 -0.867) 0.867 14.887 ( 0.000 0.000 -1.082) 1.082 14.946 ( 0.000 0.000 0.973) 0.973 15.256 ( 0.000 0.000 -3.022) 3.022 15.286 ( 0.000 0.000 -0.379) 0.379 15.850 ( 0.000 0.000 -8.405) 8.405 16.488 ( 0.000 0.000 -2.574) 2.574 17.521 ( 0.000 0.000 -4.489) 4.489 17.651 ( 0.000 0.000 1.139) 1.139 18.186 ( 0.000 0.000 -2.393) 2.393 23.557 ( 0.000 0.000 0.647) 0.647 23.696 ( 0.000 0.000 0.590) 0.590 23.811 ( 0.000 0.000 -0.795) 0.795 23.971 ( 0.000 0.000 -1.120) 1.120 24.327 ( 0.000 0.000 -0.188) 0.188 24.364 ( 0.000 0.000 0.058) 0.058 24.538 ( 0.000 0.000 0.396) 0.396 24.820 ( 0.000 0.000 -2.926) 2.926 26.403 ( 0.000 0.000 1.315) 1.315 26.488 ( 0.000 0.000 0.291) 0.291 27.018 ( 0.000 0.000 3.283) 3.283 27.967 ( 0.000 0.000 2.277) 2.277 28.411 ( 0.000 0.000 6.771) 6.771 28.815 ( 0.000 0.000 8.048) 8.048 29.140 ( 0.000 0.000 -3.883) 3.883 30.973 ( 0.000 0.000 -7.636) 7.636 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 27.958 0.000 21.236) 35.109 1.213 ( 28.840 0.000 26.321) 39.045 1.961 ( 46.660 0.000 33.025) 57.165 2.311 ( -21.966 0.000 7.399) 23.179 2.569 ( -14.641 0.000 11.894) 18.863 3.199 ( 11.092 0.000 -3.435) 11.612 3.608 ( -5.973 0.000 -6.028) 8.486 4.185 ( -10.394 0.000 -12.987) 16.634 4.314 ( 0.230 0.000 -0.094) 0.249 4.364 ( 3.961 0.000 -0.440) 3.986 4.373 ( -7.361 0.000 -2.943) 7.927 4.569 ( -3.807 0.000 1.477) 4.083 4.728 ( 2.047 0.000 -8.324) 8.572 4.793 ( -7.022 0.000 18.150) 19.461 4.948 ( 7.297 0.000 -2.845) 7.832 4.976 ( -7.869 0.000 -4.071) 8.860 5.197 ( -3.210 0.000 -6.885) 7.597 5.344 ( 8.626 0.000 -2.742) 9.051 5.412 ( 5.136 0.000 -1.227) 5.280 5.540 ( 2.191 0.000 -4.867) 5.338 5.581 ( 2.666 0.000 -2.927) 3.959 5.637 ( -0.184 0.000 0.764) 0.785 5.836 ( -1.764 0.000 9.504) 9.666 5.875 ( -5.752 0.000 -9.600) 11.191 6.141 ( -3.973 0.000 3.647) 5.393 6.406 ( -10.016 0.000 5.446) 11.401 6.524 ( 1.861 0.000 -2.104) 2.809 6.571 ( 8.230 0.000 -4.295) 9.284 6.775 ( 0.762 0.000 -5.072) 5.129 6.782 ( -7.090 0.000 -0.401) 7.101 7.228 ( 7.856 0.000 3.009) 8.413 7.471 ( 2.804 0.000 6.796) 7.352 7.618 ( 5.106 0.000 -1.340) 5.279 7.838 ( -2.180 0.000 -4.836) 5.304 7.849 ( -3.189 0.000 -2.347) 3.960 7.931 ( -0.544 0.000 -6.162) 6.186 8.238 ( -0.925 0.000 -3.070) 3.206 8.600 ( -13.072 0.000 -6.245) 14.487 8.645 ( 1.840 0.000 -6.448) 6.705 8.654 ( 3.780 0.000 5.532) 6.700 8.974 ( -16.226 0.000 7.517) 17.883 8.975 ( -9.765 0.000 2.453) 10.069 9.202 ( 1.633 0.000 -0.374) 1.675 9.280 ( -0.900 0.000 5.424) 5.498 9.438 ( 9.416 0.000 0.120) 9.417 9.753 ( -3.919 0.000 -1.247) 4.112 10.149 ( 30.057 0.000 -13.488) 32.944 10.995 ( 3.613 0.000 -33.723) 33.916 11.420 ( 2.215 0.000 0.688) 2.319 11.587 ( -4.697 0.000 1.379) 4.895 11.805 ( 4.341 0.000 1.392) 4.559 11.948 ( -1.751 0.000 1.888) 2.574 12.275 ( 5.020 0.000 12.751) 13.704 12.638 ( -3.050 0.000 12.570) 12.934 13.272 ( 5.281 0.000 6.250) 8.182 13.363 ( 0.436 0.000 -0.178) 0.471 13.389 ( -0.490 0.000 -0.110) 0.502 13.713 ( -2.978 0.000 0.961) 3.129 14.877 ( 0.182 0.000 -0.896) 0.914 14.885 ( -0.106 0.000 -1.048) 1.053 14.987 ( 3.389 0.000 0.953) 3.520 15.200 ( -4.529 0.000 -2.153) 5.015 15.292 ( 5.783 0.000 -7.492) 9.465 15.757 ( -7.996 0.000 -9.979) 12.787 16.516 ( 2.397 0.000 -0.573) 2.464 16.804 ( -17.241 0.000 15.636) 23.275 18.097 ( 6.937 0.000 -8.998) 11.362 18.188 ( -0.106 0.000 -2.667) 2.669 23.571 ( 1.253 0.000 0.614) 1.395 23.663 ( -2.336 0.000 0.499) 2.389 23.847 ( 2.564 0.000 -0.741) 2.669 23.954 ( -1.532 0.000 -1.044) 1.854 24.340 ( 1.134 0.000 -0.256) 1.162 24.413 ( -0.581 0.000 -1.894) 1.981 24.582 ( 4.438 0.000 -1.466) 4.673 24.783 ( -3.148 0.000 -2.702) 4.149 26.433 ( 1.246 0.000 -0.065) 1.248 26.465 ( -0.779 0.000 3.516) 3.601 27.355 ( 14.730 0.000 -10.636) 18.168 27.892 ( -10.690 0.000 3.997) 11.413 28.314 ( 5.837 0.000 7.751) 9.703 28.684 ( -5.752 0.000 3.210) 6.587 29.817 ( 28.752 0.000 -17.679) 33.753 30.687 ( -17.481 0.000 2.673) 17.684 ======================= Grid point 47 (18/90) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -28.713 0.000 11.773) 31.033 1.733 ( 28.713 0.000 11.773) 31.033 1.876 ( -28.495 0.000 15.322) 32.354 1.876 ( 28.495 0.000 15.322) 32.354 3.330 ( -53.433 0.000 15.871) 55.740 3.330 ( 53.433 0.000 15.871) 55.740 3.432 ( -9.398 0.000 -5.243) 10.762 3.432 ( 9.398 0.000 -5.243) 10.762 4.305 ( -1.889 0.000 -4.058) 4.476 4.305 ( 1.889 0.000 -4.058) 4.476 4.466 ( -4.845 0.000 1.304) 5.018 4.466 ( 4.845 0.000 1.304) 5.018 4.818 ( -5.853 0.000 -6.031) 8.405 4.818 ( 5.853 0.000 -6.031) 8.405 4.926 ( -11.313 0.000 -0.924) 11.351 4.926 ( 11.313 0.000 -0.924) 11.351 5.326 ( -12.362 0.000 -4.075) 13.016 5.326 ( 12.362 0.000 -4.075) 13.016 5.483 ( -1.628 0.000 -0.695) 1.770 5.483 ( 1.628 0.000 -0.695) 1.770 5.684 ( -8.545 0.000 -9.904) 13.081 5.684 ( 8.545 0.000 -9.904) 13.081 5.767 ( -4.572 0.000 5.237) 6.952 5.767 ( 4.572 0.000 5.237) 6.952 6.194 ( -7.398 0.000 6.958) 10.156 6.194 ( 7.398 0.000 6.958) 10.156 6.616 ( -6.479 0.000 -0.421) 6.493 6.616 ( 6.479 0.000 -0.421) 6.493 6.726 ( -4.924 0.000 -5.547) 7.417 6.726 ( 4.924 0.000 -5.547) 7.417 7.432 ( -7.143 0.000 3.505) 7.957 7.432 ( 7.143 0.000 3.505) 7.957 7.747 ( -5.656 0.000 -1.570) 5.870 7.747 ( 5.656 0.000 -1.570) 5.870 7.888 ( -3.639 0.000 -8.593) 9.331 7.888 ( 3.639 0.000 -8.593) 9.331 8.278 ( -7.425 0.000 -2.789) 7.932 8.278 ( 7.425 0.000 -2.789) 7.932 8.767 ( -5.625 0.000 0.199) 5.629 8.767 ( 5.625 0.000 0.199) 5.629 8.780 ( -7.375 0.000 4.108) 8.442 8.780 ( 7.375 0.000 4.108) 8.442 9.251 ( -1.989 0.000 3.083) 3.669 9.251 ( 1.989 0.000 3.083) 3.669 9.627 ( -7.196 0.000 -0.727) 7.233 9.627 ( 7.196 0.000 -0.727) 7.233 10.745 ( -21.388 0.000 -21.806) 30.544 10.745 ( 21.388 0.000 -21.806) 30.544 11.489 ( -3.861 0.000 0.936) 3.973 11.489 ( 3.861 0.000 0.936) 3.973 11.891 ( -3.285 0.000 1.728) 3.712 11.891 ( 3.285 0.000 1.728) 3.712 12.442 ( -9.711 0.000 15.884) 18.617 12.442 ( 9.711 0.000 15.884) 18.617 13.376 ( -0.655 0.000 -0.147) 0.672 13.376 ( 0.655 0.000 -0.147) 0.672 13.518 ( -12.138 0.000 4.300) 12.877 13.518 ( 12.138 0.000 4.300) 12.877 14.882 ( -0.204 0.000 -0.970) 0.991 14.882 ( 0.204 0.000 -0.970) 0.991 15.087 ( -5.210 0.000 -0.608) 5.246 15.087 ( 5.210 0.000 -0.608) 5.246 15.520 ( -12.111 0.000 -12.354) 17.300 15.520 ( 12.111 0.000 -12.354) 17.300 16.595 ( -4.995 0.000 4.943) 7.027 16.595 ( 4.995 0.000 4.943) 7.027 18.171 ( -1.510 0.000 -4.063) 4.334 18.171 ( 1.510 0.000 -4.063) 4.334 23.610 ( -2.166 0.000 0.538) 2.232 23.610 ( 2.166 0.000 0.538) 2.232 23.907 ( -2.525 0.000 -0.871) 2.671 23.907 ( 2.525 0.000 -0.871) 2.671 24.376 ( -1.928 0.000 -0.513) 1.995 24.376 ( 1.928 0.000 -0.513) 1.995 24.690 ( -4.796 0.000 -2.316) 5.326 24.690 ( 4.796 0.000 -2.316) 5.326 26.452 ( -0.573 0.000 2.028) 2.107 26.452 ( 0.573 0.000 2.028) 2.107 27.629 ( -11.498 0.000 -2.552) 11.778 27.629 ( 11.498 0.000 -2.552) 11.778 28.517 ( -9.190 0.000 4.431) 10.202 28.517 ( 9.190 0.000 4.431) 10.202 30.303 ( -17.585 0.000 -4.973) 18.275 30.303 ( 17.585 0.000 -4.973) 18.275 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 0.000 23.666 26.181) 35.292 1.040 ( 0.000 25.199 25.906) 36.140 1.755 ( 0.000 43.367 42.271) 60.560 2.823 ( 0.000 7.822 3.876) 8.730 2.889 ( 0.000 18.787 7.449) 20.210 3.071 ( 0.000 5.642 -1.733) 5.902 3.779 ( 0.000 8.467 -5.168) 9.920 4.044 ( 0.000 -9.129 -2.356) 9.428 4.192 ( 0.000 -10.168 -6.429) 12.030 4.303 ( 0.000 -3.258 -1.834) 3.738 4.356 ( 0.000 -12.156 7.025) 14.040 4.607 ( 0.000 -4.931 2.750) 5.646 4.614 ( 0.000 -1.103 -12.865) 12.912 4.887 ( 0.000 10.538 -11.097) 15.303 5.070 ( 0.000 5.135 3.105) 6.001 5.225 ( 0.000 -0.937 -2.497) 2.667 5.258 ( 0.000 -0.570 -7.427) 7.448 5.303 ( 0.000 -3.335 2.165) 3.977 5.407 ( 0.000 9.260 -6.355) 11.231 5.407 ( 0.000 12.413 -2.358) 12.635 5.650 ( 0.000 -5.827 10.593) 12.090 5.655 ( 0.000 3.460 -4.314) 5.531 5.908 ( 0.000 -0.718 -0.579) 0.922 5.962 ( 0.000 11.507 -0.867) 11.539 6.209 ( 0.000 -5.134 -2.443) 5.685 6.388 ( 0.000 -4.413 -1.085) 4.544 6.554 ( 0.000 2.601 5.158) 5.777 6.601 ( 0.000 8.900 -2.112) 9.147 6.745 ( 0.000 1.598 -4.818) 5.076 6.948 ( 0.000 7.889 -8.431) 11.546 7.185 ( 0.000 -0.711 7.089) 7.125 7.415 ( 0.000 1.357 4.331) 4.538 7.672 ( 0.000 7.902 -10.772) 13.360 7.866 ( 0.000 -1.957 -2.377) 3.079 7.947 ( 0.000 1.585 -3.929) 4.237 8.052 ( 0.000 2.479 -1.966) 3.164 8.196 ( 0.000 -3.126 -4.225) 5.256 8.436 ( 0.000 -3.036 -4.417) 5.359 8.554 ( 0.000 -5.683 5.344) 7.801 8.910 ( 0.000 -8.728 9.745) 13.082 8.921 ( 0.000 -1.390 -7.174) 7.307 9.097 ( 0.000 -7.138 -7.142) 10.098 9.213 ( 0.000 -3.545 0.923) 3.663 9.273 ( 0.000 -10.413 -4.203) 11.229 9.452 ( 0.000 0.661 -1.218) 1.386 9.633 ( 0.000 -1.172 0.156) 1.183 9.851 ( 0.000 1.924 -1.094) 2.214 10.157 ( 0.000 -17.232 8.798) 19.348 11.544 ( 0.000 12.661 -0.392) 12.667 11.735 ( 0.000 2.010 -1.134) 2.308 11.916 ( 0.000 7.510 -6.813) 10.140 11.988 ( 0.000 2.041 1.701) 2.657 12.247 ( 0.000 2.675 12.427) 12.712 12.559 ( 0.000 1.356 5.526) 5.690 13.152 ( 0.000 -7.993 9.146) 12.146 13.297 ( 0.000 -5.838 3.701) 6.912 13.397 ( 0.000 3.888 0.653) 3.943 14.338 ( 0.000 31.213 -29.854) 43.192 14.788 ( 0.000 -5.464 -0.065) 5.465 14.890 ( 0.000 0.356 -0.951) 1.016 15.030 ( 0.000 5.617 -0.386) 5.631 15.256 ( 0.000 0.022 -3.158) 3.158 15.288 ( 0.000 0.165 -0.299) 0.342 15.807 ( 0.000 -4.192 -7.766) 8.825 16.524 ( 0.000 3.653 -2.560) 4.461 17.125 ( 0.000 -25.154 24.856) 35.363 17.480 ( 0.000 -4.148 -4.496) 6.117 18.077 ( 0.000 -10.428 -2.055) 10.628 23.739 ( 0.000 4.487 0.418) 4.506 23.910 ( 0.000 7.344 -1.481) 7.492 23.954 ( 0.000 1.138 -0.354) 1.192 24.349 ( 0.000 2.220 -0.384) 2.253 24.490 ( 0.000 11.386 -0.711) 11.408 24.501 ( 0.000 -0.371 -2.956) 2.980 24.750 ( 0.000 61.848 -61.323) 87.096 24.783 ( 0.000 -3.588 -2.521) 4.385 26.420 ( 0.000 1.880 0.662) 1.993 26.481 ( 0.000 -0.363 -0.089) 0.374 27.015 ( 0.000 -0.168 3.835) 3.839 27.967 ( 0.000 -0.325 2.180) 2.204 28.396 ( 0.000 -1.566 6.806) 6.983 28.708 ( 0.000 -32.985 25.532) 41.712 28.838 ( 0.000 2.488 7.632) 8.028 30.475 ( 0.000 -29.134 12.102) 31.548 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.25 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 24.593 18.166 18.928) 35.960 1.384 ( 23.784 16.681 23.477) 37.351 2.271 ( 28.095 26.875 21.862) 44.604 2.496 ( -22.930 15.794 6.897) 28.685 2.647 ( -4.482 10.730 13.788) 18.037 3.303 ( 11.381 10.160 -1.928) 15.377 3.707 ( -5.810 8.713 -5.296) 11.735 4.103 ( -4.341 -6.684 -10.082) 12.851 4.180 ( 2.312 -11.027 0.412) 11.275 4.248 ( -2.654 -8.823 -3.215) 9.759 4.390 ( 1.572 -8.529 8.314) 12.014 4.480 ( -9.777 3.507 -1.780) 10.538 4.778 ( 6.171 -0.185 -3.794) 7.247 4.919 ( -1.783 1.823 -6.119) 6.629 4.995 ( 0.239 13.619 4.543) 14.359 5.097 ( -8.360 2.437 -0.315) 8.713 5.133 ( -8.631 1.767 -9.970) 13.304 5.331 ( 3.787 -1.810 -1.894) 4.604 5.400 ( 4.677 -3.152 3.165) 6.467 5.497 ( 4.530 2.436 -2.495) 5.717 5.657 ( 2.120 5.153 -6.542) 8.593 5.718 ( -0.109 -1.505 4.980) 5.204 5.864 ( -3.311 -0.039 -6.445) 7.246 5.898 ( -3.425 10.535 -0.656) 11.098 6.180 ( -1.913 1.891 1.199) 2.945 6.369 ( -4.312 -2.974 4.505) 6.909 6.527 ( 2.294 -1.198 -1.774) 3.138 6.588 ( -0.622 7.034 -1.702) 7.264 6.769 ( 0.773 -0.091 -4.282) 4.352 6.899 ( -5.233 7.730 -1.811) 9.509 7.262 ( 7.198 2.286 2.709) 8.023 7.463 ( 2.988 -0.400 5.867) 6.596 7.681 ( 0.754 5.405 -4.425) 7.026 7.830 ( -3.515 -1.122 -1.981) 4.188 7.855 ( -1.961 1.038 -4.432) 4.957 7.945 ( -1.116 2.103 -5.526) 6.017 8.197 ( -1.187 -3.842 -2.934) 4.978 8.503 ( -12.701 -8.579 -3.903) 15.816 8.616 ( 7.550 -2.843 -5.741) 9.902 8.642 ( -3.110 -2.242 2.051) 4.348 8.870 ( -4.597 -5.989 7.372) 10.552 8.944 ( -13.623 -4.266 4.675) 15.021 9.182 ( 3.408 -2.039 0.396) 3.991 9.262 ( 1.003 -0.340 1.337) 1.706 9.527 ( 2.002 5.221 -0.472) 5.611 9.655 ( 0.441 -8.288 -2.186) 8.583 10.106 ( 22.227 -4.605 -9.529) 24.618 10.593 ( 12.887 -25.108 -12.914) 31.037 11.570 ( 2.470 12.732 -0.786) 12.993 11.749 ( -0.928 5.844 -2.036) 6.258 11.871 ( -1.424 5.946 -3.647) 7.119 11.966 ( -1.937 1.800 1.451) 3.016 12.300 ( 4.591 2.359 12.829) 13.828 12.574 ( -2.262 -3.529 11.742) 12.468 13.211 ( 5.571 -5.191 5.743) 9.538 13.311 ( 0.708 -6.166 3.285) 7.022 13.440 ( 4.777 6.980 0.512) 8.474 14.083 ( -18.975 25.177 -10.220) 33.141 14.801 ( 1.390 -6.119 -0.097) 6.276 14.875 ( -1.339 -1.009 -0.860) 1.884 15.050 ( 1.909 4.721 0.218) 5.097 15.210 ( -3.888 0.960 -2.152) 4.546 15.298 ( 5.367 0.532 -6.899) 8.757 15.720 ( -7.521 -3.715 -8.963) 12.276 16.550 ( 2.183 3.457 -0.900) 4.187 16.778 ( -11.630 -1.220 13.024) 17.503 17.846 ( 12.720 -18.352 -3.781) 22.647 18.065 ( -1.229 -11.382 -2.176) 11.653 23.740 ( 0.336 6.367 0.315) 6.384 23.892 ( -4.279 4.100 -1.734) 6.174 23.941 ( 0.903 9.042 -0.817) 9.124 24.165 ( -16.341 32.984 -10.478) 38.272 24.369 ( 1.641 2.806 -0.226) 3.259 24.473 ( -2.172 3.267 -0.489) 3.954 24.635 ( 0.952 9.222 -6.216) 11.161 24.756 ( -2.437 -2.598 -2.401) 4.296 26.456 ( 1.270 2.400 -1.394) 3.052 26.480 ( -0.012 1.818 3.919) 4.321 27.321 ( 14.069 -3.421 -10.074) 17.638 27.851 ( -11.727 -4.447 4.593) 13.356 28.309 ( 7.785 -0.347 7.623) 10.901 28.705 ( -5.188 2.005 3.018) 6.328 29.512 ( 34.039 -27.030 -2.730) 43.552 30.360 ( -9.466 -24.270 7.802) 27.194 ======================= Grid point 52 (21/90) ======================= q-point: (-0.50 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -17.055 12.328 12.667) 24.562 1.886 ( 17.055 12.328 12.667) 24.562 1.992 ( -15.325 12.633 13.911) 24.248 1.992 ( 15.325 12.633 13.911) 24.248 3.444 ( -30.620 9.348 6.058) 32.584 3.444 ( 30.620 9.348 6.058) 32.584 3.576 ( -12.104 15.558 0.913) 19.733 3.576 ( 12.104 15.558 0.913) 19.733 4.171 ( -2.350 -11.053 -2.944) 11.677 4.171 ( 2.350 -11.053 -2.944) 11.677 4.427 ( -2.403 -5.356 4.150) 7.189 4.427 ( 2.403 -5.356 4.150) 7.189 4.899 ( -5.541 6.120 -4.077) 9.207 4.899 ( 5.541 6.120 -4.077) 9.207 4.936 ( -5.657 2.075 -6.828) 9.106 4.936 ( 5.657 2.075 -6.828) 9.106 5.254 ( -9.668 -3.058 -2.645) 10.480 5.254 ( 9.668 -3.058 -2.645) 10.480 5.532 ( -3.190 -5.586 2.843) 7.033 5.532 ( 3.190 -5.586 2.843) 7.033 5.687 ( -0.327 8.801 -1.823) 8.994 5.687 ( 0.327 8.801 -1.823) 8.994 5.832 ( -2.847 3.857 -6.304) 7.919 5.832 ( 2.847 3.857 -6.304) 7.919 6.229 ( -5.985 3.797 5.637) 9.056 6.229 ( 5.985 3.797 5.637) 9.056 6.590 ( -0.773 -1.209 -2.917) 3.251 6.590 ( 0.773 -1.209 -2.917) 3.251 6.788 ( -2.695 4.638 -1.950) 5.707 6.788 ( 2.695 4.638 -1.950) 5.707 7.440 ( -6.218 0.369 3.297) 7.048 7.440 ( 6.218 0.369 3.297) 7.048 7.744 ( -4.306 -0.191 -1.573) 4.589 7.744 ( 4.306 -0.191 -1.573) 4.589 7.892 ( -3.421 0.972 -7.700) 8.481 7.892 ( 3.421 0.972 -7.700) 8.481 8.219 ( -5.840 -5.655 -3.068) 8.688 8.219 ( 5.840 -5.655 -3.068) 8.688 8.699 ( -2.688 -5.222 0.414) 5.888 8.699 ( 2.688 -5.222 0.414) 5.888 8.788 ( -1.219 -0.453 4.205) 4.401 8.788 ( 1.219 -0.453 4.205) 4.401 9.248 ( -2.095 -0.098 2.111) 2.976 9.248 ( 2.095 -0.098 2.111) 2.976 9.601 ( -3.786 -2.231 -1.191) 4.553 9.601 ( 3.786 -2.231 -1.191) 4.553 10.553 ( -13.759 -15.529 -15.306) 25.782 10.553 ( 13.759 -15.529 -15.306) 25.782 11.656 ( -5.078 12.263 -2.088) 13.437 11.656 ( 5.078 12.263 -2.088) 13.437 11.908 ( -2.951 1.707 0.594) 3.461 11.908 ( 2.951 1.707 0.594) 3.461 12.442 ( -7.484 -0.082 14.490) 16.309 12.442 ( 7.484 -0.082 14.490) 16.309 13.305 ( -1.778 -5.872 3.296) 6.964 13.305 ( 1.778 -5.872 3.296) 6.964 13.674 ( -15.665 13.461 0.528) 20.661 13.674 ( 15.665 13.461 0.528) 20.661 14.839 ( -1.748 -3.906 -0.805) 4.355 14.839 ( 1.748 -3.906 -0.805) 4.355 15.118 ( -3.971 2.769 -0.845) 4.914 15.118 ( 3.971 2.769 -0.845) 4.914 15.501 ( -10.894 -1.882 -10.679) 15.371 15.501 ( 10.894 -1.882 -10.679) 15.371 16.620 ( -4.290 2.809 3.742) 6.348 16.620 ( 4.290 2.809 3.742) 6.348 18.012 ( -3.906 -14.181 -2.906) 14.994 18.012 ( 3.906 -14.181 -2.906) 14.994 23.776 ( -3.552 10.371 -0.407) 10.970 23.776 ( 3.552 10.371 -0.407) 10.970 23.990 ( -3.361 11.397 -2.085) 12.064 23.990 ( 3.361 11.397 -2.085) 12.064 24.418 ( -2.518 3.875 -0.301) 4.631 24.418 ( 2.518 3.875 -0.301) 4.631 24.689 ( -3.105 0.260 -2.480) 3.982 24.689 ( 3.105 0.260 -2.480) 3.982 26.475 ( -0.518 2.517 1.827) 3.153 26.475 ( 0.518 2.517 1.827) 3.153 27.587 ( -11.258 -4.298 -2.802) 12.372 27.587 ( 11.258 -4.298 -2.802) 12.372 28.533 ( -9.748 1.691 4.632) 10.924 28.533 ( 9.748 1.691 4.632) 10.924 30.066 ( -17.375 -21.712 -1.140) 27.832 30.066 ( 17.375 -21.712 -1.140) 27.832 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.000 30.052 16.097) 34.092 1.605 ( 0.000 30.812 14.081) 33.877 2.642 ( 0.000 39.880 21.090) 45.113 3.016 ( 0.000 16.090 6.244) 17.259 3.208 ( 0.000 6.982 1.253) 7.093 3.348 ( 0.000 22.713 4.708) 23.196 3.801 ( 0.000 -11.359 -2.429) 11.616 3.840 ( 0.000 -12.003 1.890) 12.151 4.065 ( 0.000 -15.939 9.045) 18.326 4.137 ( 0.000 9.556 -7.840) 12.361 4.212 ( 0.000 -5.214 0.834) 5.281 4.500 ( 0.000 -5.069 8.180) 9.624 4.614 ( 0.000 0.523 -15.003) 15.012 4.933 ( 0.000 -1.199 -8.581) 8.664 5.136 ( 0.000 -8.719 -6.622) 10.949 5.157 ( 0.000 -5.642 -2.124) 6.028 5.282 ( 0.000 -0.384 -2.127) 2.161 5.332 ( 0.000 13.932 1.847) 14.054 5.510 ( 0.000 -5.570 0.805) 5.627 5.547 ( 0.000 -2.589 4.876) 5.521 5.646 ( 0.000 4.946 -9.822) 10.997 5.718 ( 0.000 15.536 -1.247) 15.586 5.936 ( 0.000 3.883 0.230) 3.890 6.165 ( 0.000 4.240 -3.225) 5.327 6.186 ( 0.000 -11.656 3.543) 12.182 6.262 ( 0.000 14.301 -4.644) 15.036 6.701 ( 0.000 -1.024 -3.589) 3.732 6.731 ( 0.000 12.209 2.683) 12.500 6.868 ( 0.000 12.050 -2.098) 12.232 7.096 ( 0.000 6.492 -9.524) 11.527 7.172 ( 0.000 -0.182 7.722) 7.724 7.441 ( 0.000 0.789 2.954) 3.058 7.805 ( 0.000 6.038 -9.605) 11.345 7.810 ( 0.000 -3.495 -1.926) 3.991 8.018 ( 0.000 5.932 -5.524) 8.106 8.120 ( 0.000 -4.083 -3.703) 5.512 8.149 ( 0.000 6.203 -4.766) 7.822 8.354 ( 0.000 -5.217 -4.616) 6.966 8.406 ( 0.000 -8.846 2.374) 9.159 8.815 ( 0.000 -3.775 4.391) 5.790 8.874 ( 0.000 -3.941 -5.954) 7.140 8.928 ( 0.000 -8.065 -4.658) 9.314 9.054 ( 0.000 -9.254 -2.584) 9.608 9.116 ( 0.000 -7.538 1.683) 7.724 9.381 ( 0.000 -6.019 8.860) 10.711 9.626 ( 0.000 0.418 -1.566) 1.621 9.797 ( 0.000 -7.947 0.521) 7.964 9.932 ( 0.000 -7.871 2.204) 8.174 11.792 ( 0.000 3.698 -2.567) 4.501 11.813 ( 0.000 12.701 -2.775) 13.000 11.990 ( 0.000 3.093 -2.690) 4.099 12.052 ( 0.000 4.731 1.155) 4.869 12.320 ( 0.000 4.706 12.546) 13.400 12.587 ( 0.000 1.184 7.091) 7.189 13.010 ( 0.000 -7.721 7.281) 10.613 13.131 ( 0.000 -10.833 4.538) 11.746 13.529 ( 0.000 9.764 0.452) 9.775 14.548 ( 0.000 -6.942 -6.865) 9.763 14.806 ( 0.000 7.352 -9.941) 12.365 14.899 ( 0.000 0.529 -0.520) 0.742 15.142 ( 0.000 5.684 -1.450) 5.866 15.258 ( 0.000 0.308 -3.607) 3.620 15.293 ( 0.000 0.500 -0.628) 0.803 15.697 ( 0.000 -6.736 -6.008) 9.027 16.629 ( 0.000 7.089 -3.053) 7.718 16.904 ( 0.000 -0.488 11.864) 11.874 17.365 ( 0.000 -7.440 -4.589) 8.742 17.818 ( 0.000 -15.124 -1.513) 15.200 23.859 ( 0.000 7.529 0.538) 7.548 23.948 ( 0.000 2.245 -1.254) 2.572 24.136 ( 0.000 10.345 -0.244) 10.347 24.394 ( 0.000 0.283 -0.902) 0.946 24.443 ( 0.000 -1.937 0.686) 2.055 24.675 ( 0.000 -4.441 -2.596) 5.144 24.774 ( 0.000 14.170 -1.661) 14.267 25.497 ( 0.000 16.904 -48.731) 51.580 26.483 ( 0.000 4.512 -1.863) 4.882 26.498 ( 0.000 2.619 -4.632) 5.321 27.019 ( 0.000 0.957 6.014) 6.090 27.889 ( 0.000 -11.469 9.893) 15.146 28.215 ( 0.000 -12.224 24.916) 27.753 28.352 ( 0.000 -2.897 6.771) 7.364 28.916 ( 0.000 5.568 6.764) 8.761 29.995 ( 0.000 -21.739 6.375) 22.655 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 17.414 24.480 13.599) 32.977 1.820 ( 16.327 26.254 16.616) 35.099 2.687 ( -12.649 15.661 7.758) 21.574 2.818 ( -23.416 15.291 6.578) 28.730 3.119 ( 22.870 30.983 14.709) 41.223 3.518 ( 6.440 7.663 0.895) 10.050 3.785 ( 0.757 -5.076 -2.042) 5.523 3.896 ( 0.369 -13.219 0.345) 13.229 3.991 ( -4.226 -13.270 4.811) 14.734 4.142 ( 1.313 8.515 -8.977) 12.442 4.269 ( 5.056 -1.513 5.476) 7.605 4.577 ( -6.225 5.473 -5.003) 9.682 4.686 ( 11.493 -6.070 2.322) 13.203 4.944 ( -0.097 -4.874 -9.641) 10.803 5.041 ( -5.341 1.692 -6.988) 8.957 5.196 ( 0.565 -5.691 -2.115) 6.097 5.255 ( -0.930 0.990 -1.139) 1.773 5.290 ( -3.309 12.627 -1.227) 13.111 5.422 ( -7.156 1.168 2.408) 7.641 5.495 ( -3.058 -2.593 4.350) 5.916 5.736 ( 7.103 7.112 0.788) 10.083 5.762 ( 1.472 4.823 -7.948) 9.412 5.900 ( 0.255 5.010 -3.678) 6.221 6.147 ( -2.769 3.250 -1.747) 4.614 6.183 ( -0.125 6.554 0.795) 6.603 6.314 ( 4.957 -0.501 -2.288) 5.482 6.575 ( -6.590 4.606 0.595) 8.062 6.684 ( -4.202 0.166 -3.043) 5.191 6.850 ( -0.671 11.039 -2.363) 11.309 7.043 ( -4.663 6.650 -0.517) 8.138 7.286 ( 6.846 0.287 1.397) 6.993 7.453 ( 1.043 -0.887 3.190) 3.471 7.777 ( -2.578 -0.246 -4.820) 5.472 7.804 ( -3.689 2.624 -4.308) 6.249 7.895 ( -2.531 2.524 -4.807) 5.990 8.020 ( -3.649 4.130 -2.778) 6.171 8.117 ( -1.790 -2.795 -3.115) 4.552 8.298 ( -12.111 -10.968 -3.074) 16.626 8.535 ( 4.867 -4.886 -3.605) 7.781 8.585 ( -2.556 -3.521 -0.358) 4.365 8.768 ( -2.994 -4.678 4.360) 7.061 8.858 ( -6.844 -3.176 6.297) 9.828 9.142 ( 5.569 -1.689 0.964) 5.899 9.245 ( 4.853 -2.305 -2.724) 6.024 9.492 ( 4.558 -6.367 -1.120) 7.910 9.606 ( -1.926 2.187 -1.283) 3.184 9.945 ( 12.976 -12.457 -4.516) 18.546 10.163 ( 11.104 -19.326 -4.714) 22.782 11.823 ( 2.171 8.482 -2.495) 9.104 11.844 ( 2.623 8.001 -1.259) 8.513 11.965 ( -1.881 4.238 -3.085) 5.569 12.024 ( -2.362 4.302 0.642) 4.950 12.359 ( 3.165 3.657 12.339) 13.253 12.541 ( -3.540 -0.144 9.712) 10.338 13.079 ( 4.592 -8.346 5.688) 11.095 13.145 ( 0.969 -10.766 4.576) 11.738 13.631 ( 9.633 12.330 0.533) 15.656 14.455 ( -16.683 10.791 -9.694) 22.107 14.670 ( -1.384 -5.749 1.254) 6.044 14.850 ( -4.093 -1.432 -0.344) 4.350 15.149 ( 0.755 5.221 -0.773) 5.332 15.234 ( -2.332 1.404 -2.232) 3.520 15.308 ( 3.887 0.381 -5.566) 6.800 15.622 ( -6.249 -5.915 -6.666) 10.885 16.653 ( 2.040 7.123 -1.901) 7.649 16.809 ( -5.157 4.941 6.191) 9.452 17.527 ( 9.624 -14.121 -2.790) 17.315 17.790 ( -2.503 -15.598 -1.628) 15.881 23.871 ( 1.043 7.110 0.309) 7.193 23.936 ( -1.059 2.948 -0.955) 3.275 24.156 ( 2.180 10.221 -1.041) 10.503 24.399 ( -2.401 -3.229 -1.102) 4.172 24.446 ( 2.115 4.416 -0.439) 4.916 24.663 ( -1.940 3.203 -3.258) 4.964 24.720 ( -4.039 8.812 -1.059) 9.751 24.983 ( -24.312 18.958 -17.465) 35.432 26.522 ( 1.854 4.334 -3.321) 5.767 26.560 ( 1.788 6.657 2.515) 7.338 27.225 ( 11.378 -6.153 -7.679) 15.043 27.703 ( -11.472 -10.887 6.538) 17.114 28.313 ( 11.513 1.068 7.355) 13.703 28.745 ( 2.921 0.162 2.598) 3.912 29.020 ( 23.531 -17.311 12.313) 31.701 29.899 ( -8.758 -22.549 5.251) 24.753 ======================= Grid point 57 (24/90) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -8.358 17.660 11.990) 22.923 2.175 ( 8.358 17.660 11.990) 22.923 2.318 ( -4.523 18.906 11.800) 22.741 2.318 ( 4.523 18.906 11.800) 22.741 3.565 ( -5.775 -0.496 1.438) 5.972 3.565 ( 5.775 -0.496 1.438) 5.972 3.871 ( -2.887 -7.680 -2.779) 8.663 3.871 ( 2.887 -7.680 -2.779) 8.663 4.046 ( -17.056 15.715 1.781) 23.260 4.046 ( 17.056 15.715 1.781) 23.260 4.349 ( -5.485 3.354 4.341) 7.757 4.349 ( 5.485 3.354 4.341) 7.757 4.891 ( -5.020 -4.626 -5.027) 8.477 4.891 ( 5.020 -4.626 -5.027) 8.477 5.059 ( -6.988 6.145 -5.030) 10.578 5.059 ( 6.988 6.145 -5.030) 10.578 5.269 ( -1.729 2.144 -2.515) 3.730 5.269 ( 1.729 2.144 -2.515) 3.730 5.388 ( -4.643 -4.097 5.633) 8.371 5.388 ( 4.643 -4.097 5.633) 8.371 5.804 ( -2.733 2.143 -5.257) 6.300 5.804 ( 2.733 2.143 -5.257) 6.300 6.000 ( -7.898 12.331 -3.447) 15.044 6.000 ( 7.898 12.331 -3.447) 15.044 6.306 ( -6.975 2.544 0.943) 7.484 6.306 ( 6.975 2.544 0.943) 7.484 6.559 ( -5.436 -2.145 -3.510) 6.817 6.559 ( 5.436 -2.145 -3.510) 6.817 6.906 ( -5.838 7.823 0.561) 9.778 6.906 ( 5.838 7.823 0.561) 9.778 7.427 ( -4.657 -1.799 2.147) 5.434 7.427 ( 4.657 -1.799 2.147) 5.434 7.739 ( -1.079 -0.432 -1.990) 2.304 7.739 ( 1.079 -0.432 -1.990) 2.304 7.929 ( -3.884 0.955 -3.165) 5.100 7.929 ( 3.884 0.955 -3.165) 5.100 8.098 ( -3.328 -3.968 -5.386) 7.472 8.098 ( 3.328 -3.968 -5.386) 7.472 8.576 ( -1.983 -7.102 0.437) 7.386 8.576 ( 1.983 -7.102 0.437) 7.386 8.779 ( -2.590 0.413 4.126) 4.889 8.779 ( 2.590 0.413 4.126) 4.889 9.250 ( -3.129 0.117 -0.136) 3.134 9.250 ( 3.129 0.117 -0.136) 3.134 9.556 ( -2.187 -2.140 -1.570) 3.439 9.556 ( 2.187 -2.140 -1.570) 3.439 10.211 ( -6.920 -19.222 -9.025) 22.334 10.211 ( 6.920 -19.222 -9.025) 22.334 11.871 ( -1.557 9.218 -1.440) 9.459 11.871 ( 1.557 9.218 -1.440) 9.459 11.960 ( -2.547 3.756 -1.288) 4.717 11.960 ( 2.547 3.756 -1.288) 4.717 12.447 ( -4.439 1.073 11.853) 12.703 12.447 ( 4.439 1.073 11.853) 12.703 13.150 ( -1.190 -10.019 4.652) 11.110 13.150 ( 1.190 -10.019 4.652) 11.110 13.974 ( -20.452 15.781 -0.850) 25.847 13.974 ( 20.452 15.781 -0.850) 25.847 14.743 ( -4.948 -5.710 -0.307) 7.562 14.743 ( 4.948 -5.710 -0.307) 7.562 15.181 ( -2.086 3.479 -1.412) 4.295 15.181 ( 2.086 3.479 -1.412) 4.295 15.452 ( -7.986 -3.050 -7.464) 11.349 15.452 ( 7.986 -3.050 -7.464) 11.349 16.715 ( -3.427 7.024 1.103) 7.893 16.715 ( 3.427 7.024 1.103) 7.893 17.701 ( -5.678 -16.320 -2.030) 17.398 17.701 ( 5.678 -16.320 -2.030) 17.398 23.903 ( -1.672 5.180 -0.316) 5.453 23.903 ( 1.672 5.180 -0.316) 5.453 24.261 ( -7.347 8.287 -2.845) 11.434 24.261 ( 7.347 8.287 -2.845) 11.434 24.531 ( -5.253 9.377 -0.921) 10.788 24.531 ( 5.253 9.377 -0.921) 10.788 24.724 ( -3.829 3.616 -2.914) 6.019 24.724 ( 3.829 3.616 -2.914) 6.019 26.561 ( -1.209 6.504 1.161) 6.717 26.561 ( 1.209 6.504 1.161) 6.717 27.459 ( -10.269 -8.842 -3.115) 13.905 27.459 ( 10.269 -8.842 -3.115) 13.905 28.586 ( -11.266 3.850 5.192) 12.989 28.586 ( 11.266 3.850 5.192) 12.989 29.584 ( -20.050 -24.850 4.390) 32.230 29.584 ( 20.050 -24.850 4.390) 32.230 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 0.000 31.216 8.365) 32.317 2.205 ( 0.000 29.838 7.019) 30.653 3.095 ( 0.000 9.634 7.065) 11.947 3.195 ( 0.000 -13.541 2.402) 13.752 3.275 ( 0.000 -6.169 4.356) 7.552 3.654 ( 0.000 -4.553 5.790) 7.366 3.663 ( 0.000 11.715 0.665) 11.734 3.783 ( 0.000 -10.208 8.964) 13.585 3.842 ( 0.000 25.897 7.272) 26.899 4.130 ( 0.000 -3.224 2.741) 4.231 4.243 ( 0.000 -2.464 6.992) 7.414 4.549 ( 0.000 12.249 -0.697) 12.268 4.611 ( 0.000 -1.474 -14.002) 14.079 4.902 ( 0.000 -2.302 -2.326) 3.272 4.966 ( 0.000 -8.007 -5.393) 9.654 5.000 ( 0.000 -9.870 -1.289) 9.953 5.250 ( 0.000 -2.974 -0.909) 3.110 5.380 ( 0.000 -6.300 2.358) 6.727 5.434 ( 0.000 -3.948 3.121) 5.033 5.463 ( 0.000 -3.851 3.890) 5.474 5.825 ( 0.000 9.851 -9.231) 13.500 5.947 ( 0.000 7.812 -4.942) 9.244 6.019 ( 0.000 4.356 -5.825) 7.273 6.145 ( 0.000 8.182 0.324) 8.189 6.233 ( 0.000 1.114 -7.430) 7.513 6.465 ( 0.000 -0.254 -7.298) 7.302 6.717 ( 0.000 8.331 1.530) 8.470 6.953 ( 0.000 7.952 1.664) 8.124 7.099 ( 0.000 9.846 1.515) 9.962 7.189 ( 0.000 3.180 -7.372) 8.029 7.218 ( 0.000 5.802 2.550) 6.338 7.430 ( 0.000 -2.082 -0.218) 2.093 7.756 ( 0.000 -1.089 -2.602) 2.821 7.929 ( 0.000 6.845 -6.876) 9.702 8.078 ( 0.000 1.230 -3.069) 3.306 8.082 ( 0.000 -10.353 -9.757) 14.226 8.184 ( 0.000 5.023 -4.118) 6.496 8.238 ( 0.000 -6.392 -4.971) 8.097 8.375 ( 0.000 7.837 -1.254) 7.937 8.688 ( 0.000 -6.947 0.337) 6.955 8.748 ( 0.000 -8.460 -1.902) 8.671 8.869 ( 0.000 0.972 1.185) 1.533 8.885 ( 0.000 -9.995 -1.813) 10.158 8.986 ( 0.000 -4.061 1.421) 4.303 9.271 ( 0.000 -3.916 12.907) 13.488 9.527 ( 0.000 -14.314 1.448) 14.387 9.680 ( 0.000 1.273 -0.580) 1.398 9.810 ( 0.000 -4.979 -1.840) 5.308 11.870 ( 0.000 3.890 -3.602) 5.301 11.941 ( 0.000 1.324 -3.957) 4.172 12.134 ( 0.000 9.984 -1.641) 10.118 12.173 ( 0.000 7.019 0.127) 7.020 12.429 ( 0.000 6.376 11.119) 12.817 12.597 ( 0.000 -0.232 7.935) 7.939 12.843 ( 0.000 -8.895 7.413) 11.579 12.894 ( 0.000 -12.584 6.363) 14.102 13.768 ( 0.000 14.121 -0.018) 14.121 14.337 ( 0.000 -13.094 -1.908) 13.232 14.898 ( 0.000 2.124 -3.617) 4.195 14.909 ( 0.000 0.417 -0.015) 0.418 15.240 ( 0.000 3.643 -4.422) 5.730 15.267 ( 0.000 0.475 -4.363) 4.389 15.320 ( 0.000 3.007 0.259) 3.019 15.557 ( 0.000 -7.284 -3.544) 8.100 16.797 ( 0.000 9.860 -4.636) 10.895 17.005 ( 0.000 9.258 3.324) 9.837 17.197 ( 0.000 -9.528 -4.881) 10.706 17.515 ( 0.000 -15.347 -1.007) 15.380 24.020 ( 0.000 8.474 0.316) 8.480 24.025 ( 0.000 5.367 -1.362) 5.537 24.268 ( 0.000 1.816 0.968) 2.058 24.305 ( 0.000 -6.378 -0.089) 6.379 24.481 ( 0.000 2.773 0.161) 2.778 24.570 ( 0.000 -4.234 -1.526) 4.500 25.085 ( 0.000 16.150 -5.468) 17.051 25.576 ( 0.000 -5.289 -24.382) 24.949 26.571 ( 0.000 3.830 -10.631) 11.300 26.578 ( 0.000 4.281 -6.984) 8.191 27.077 ( 0.000 5.770 10.781) 12.228 27.567 ( 0.000 -17.376 18.269) 25.212 28.161 ( 0.000 1.767 9.730) 9.889 28.287 ( 0.000 -3.599 6.723) 7.625 29.061 ( 0.000 9.345 5.894) 11.048 29.602 ( 0.000 -18.347 4.709) 18.942 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.25 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 10.308 27.386 7.319) 30.163 2.360 ( 11.720 28.023 10.923) 32.280 2.998 ( -11.648 15.895 6.903) 20.880 3.073 ( -15.490 8.829 5.676) 18.711 3.253 ( 0.843 -15.939 3.365) 16.312 3.442 ( 0.140 -13.529 4.168) 14.157 3.642 ( -9.934 -9.200 3.094) 13.888 3.687 ( -5.151 -16.458 8.835) 19.377 4.011 ( 15.498 24.047 1.844) 28.668 4.329 ( 10.003 7.901 0.776) 12.771 4.413 ( 9.457 11.373 -2.183) 14.952 4.587 ( 8.178 -3.183 0.370) 8.783 4.697 ( -0.213 7.758 -4.819) 9.135 4.844 ( -0.983 -3.888 -9.002) 9.855 5.019 ( 2.175 -10.144 1.113) 10.434 5.029 ( 2.228 -4.414 -5.480) 7.381 5.226 ( -1.078 -1.406 0.328) 1.802 5.416 ( 0.792 -0.861 3.652) 3.835 5.459 ( 2.026 1.050 0.177) 2.289 5.514 ( 1.549 1.498 3.269) 3.915 5.803 ( 1.876 2.054 -4.097) 4.952 5.929 ( -5.927 9.844 -4.826) 12.463 5.963 ( -0.203 0.271 -4.909) 4.920 6.170 ( 2.789 7.376 -2.447) 8.257 6.256 ( 1.358 -1.708 -5.498) 5.916 6.446 ( -2.010 4.136 -6.312) 7.809 6.611 ( -8.566 4.193 0.410) 9.546 6.754 ( -11.271 5.232 1.909) 12.572 7.087 ( -1.733 11.307 -2.395) 11.687 7.170 ( -3.400 7.122 0.357) 7.900 7.279 ( 4.726 -1.368 0.263) 4.927 7.418 ( -0.926 -2.825 0.350) 2.994 7.730 ( -1.552 -1.900 -3.241) 4.065 7.859 ( -9.437 -0.617 -7.164) 11.864 7.889 ( -4.756 -3.227 -4.098) 7.059 8.013 ( -11.213 -8.588 -1.746) 14.232 8.086 ( 1.346 6.186 -3.532) 7.250 8.271 ( -2.484 7.202 -0.450) 7.632 8.426 ( -0.183 -7.195 -4.464) 8.469 8.492 ( -5.410 -4.857 1.939) 7.525 8.744 ( 4.864 3.544 2.892) 6.677 8.860 ( -0.142 4.542 2.303) 5.094 9.093 ( 8.324 -5.462 -3.042) 10.410 9.172 ( 9.945 -3.879 -2.383) 10.937 9.400 ( 5.482 -3.682 2.893) 7.209 9.606 ( 5.249 -11.271 -2.118) 12.613 9.660 ( 0.283 -5.469 0.108) 5.477 9.844 ( 2.278 -12.410 -2.348) 12.834 11.916 ( 3.754 4.004 -2.410) 5.995 11.971 ( 2.519 2.238 -3.325) 4.734 12.100 ( -2.878 8.223 -0.686) 8.739 12.132 ( -3.256 6.115 -0.747) 6.968 12.453 ( 1.853 6.334 10.364) 12.287 12.559 ( -2.431 2.199 8.724) 9.319 12.886 ( 2.326 -11.297 5.958) 12.982 12.908 ( 1.228 -12.546 6.137) 14.020 13.899 ( 11.475 14.352 0.341) 18.379 14.409 ( 5.910 -10.362 -2.008) 12.097 14.703 ( -15.785 5.074 -0.927) 16.606 14.819 ( -7.390 -1.739 0.232) 7.595 15.243 ( 0.020 3.536 -3.823) 5.208 15.269 ( -0.289 2.448 -2.180) 3.291 15.314 ( 1.035 0.626 -3.543) 3.743 15.501 ( -4.530 -6.277 -4.189) 8.802 16.824 ( 2.297 10.180 -3.433) 10.986 16.963 ( -2.957 10.285 1.369) 10.789 17.274 ( 5.436 -12.208 -3.425) 13.796 17.484 ( -2.755 -15.338 -1.289) 15.637 24.016 ( -0.171 7.052 -0.306) 7.061 24.023 ( -0.209 6.372 -0.583) 6.402 24.253 ( -0.327 -1.048 -0.597) 1.249 24.300 ( -1.010 -5.872 0.177) 5.961 24.543 ( 5.566 4.740 -0.633) 7.338 24.627 ( 5.140 -1.326 -1.157) 5.432 24.975 ( -8.727 12.245 -3.983) 15.556 25.205 ( -22.994 3.771 -12.689) 26.532 26.632 ( 4.959 6.740 -5.601) 10.069 26.720 ( 5.461 8.160 -2.792) 10.208 27.106 ( 3.462 -4.397 -0.754) 5.647 27.443 ( -8.618 -14.786 8.308) 19.024 28.356 ( 14.322 3.398 7.385) 16.469 28.604 ( 22.722 -9.959 8.291) 26.157 28.974 ( -7.091 7.141 7.084) 12.307 29.491 ( -9.937 -18.745 4.882) 21.771 ======================= Grid point 62 (27/90) ======================= q-point: (-0.50 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -14.167 21.075 8.649) 26.827 2.561 ( 14.167 21.075 8.649) 26.827 2.713 ( -9.833 21.387 10.138) 25.630 2.713 ( 9.833 21.387 10.138) 25.630 3.373 ( -9.093 -16.597 1.666) 18.998 3.373 ( 9.093 -16.597 1.666) 18.998 3.573 ( -6.346 -18.845 6.264) 20.848 3.573 ( 6.346 -18.845 6.264) 20.848 4.328 ( -8.568 12.783 -5.858) 16.466 4.328 ( 8.568 12.783 -5.858) 16.466 4.629 ( -4.872 14.899 0.266) 15.677 4.629 ( 4.872 14.899 0.266) 15.677 4.780 ( -6.595 -5.271 -6.360) 10.570 4.780 ( 6.595 -5.271 -6.360) 10.570 5.047 ( -1.084 -7.072 -1.670) 7.347 5.047 ( 1.084 -7.072 -1.670) 7.347 5.329 ( -10.308 8.798 4.417) 14.254 5.329 ( 10.308 8.798 4.417) 14.254 5.466 ( -0.892 6.984 0.409) 7.053 5.466 ( 0.892 6.984 0.409) 7.053 5.841 ( -1.834 1.794 -3.747) 4.542 5.841 ( 1.834 1.794 -3.747) 4.542 6.122 ( -9.771 -4.595 -5.116) 11.948 6.122 ( 9.771 -4.595 -5.116) 11.948 6.347 ( -6.657 5.520 -0.527) 8.664 6.347 ( 6.657 5.520 -0.527) 8.664 6.534 ( -4.506 -0.758 -2.113) 5.034 6.534 ( 4.506 -0.758 -2.113) 5.034 7.087 ( -2.436 10.117 0.099) 10.406 7.087 ( 2.436 10.117 0.099) 10.406 7.375 ( -3.359 -3.543 0.720) 4.935 7.375 ( 3.359 -3.543 0.720) 4.935 7.726 ( -2.137 -0.743 -3.287) 3.990 7.726 ( 2.137 -0.743 -3.287) 3.990 7.840 ( -1.796 -7.114 -1.638) 7.518 7.840 ( 1.796 -7.114 -1.638) 7.518 8.162 ( -4.922 7.422 -3.289) 9.493 8.162 ( 4.922 7.422 -3.289) 9.493 8.436 ( -1.007 -6.934 1.106) 7.094 8.436 ( 1.007 -6.934 1.106) 7.094 8.847 ( -2.392 7.628 1.275) 8.096 8.847 ( 2.392 7.628 1.275) 8.096 9.232 ( -3.214 -3.094 -2.771) 5.252 9.232 ( 3.214 -3.094 -2.771) 5.252 9.526 ( -6.151 -0.597 -1.135) 6.283 9.526 ( 6.151 -0.597 -1.135) 6.283 9.821 ( -5.607 -19.044 -3.927) 20.237 9.821 ( 5.607 -19.044 -3.927) 20.237 12.013 ( -3.984 5.356 -0.255) 6.680 12.013 ( 3.984 5.356 -0.255) 6.680 12.048 ( -3.415 4.208 -2.443) 5.945 12.048 ( 3.415 4.208 -2.443) 5.945 12.504 ( -2.494 5.306 9.497) 11.161 12.504 ( 2.494 5.306 9.497) 11.161 12.920 ( -0.637 -13.018 5.324) 14.079 12.920 ( 0.637 -13.018 5.324) 14.079 14.255 ( -18.929 12.555 -0.248) 22.715 14.255 ( 18.929 12.555 -0.248) 22.715 14.620 ( -9.273 -6.990 0.348) 11.618 14.620 ( 9.273 -6.990 0.348) 11.618 15.250 ( -0.791 3.534 -2.331) 4.307 15.250 ( 0.791 3.534 -2.331) 4.307 15.387 ( -4.818 -3.436 -5.072) 7.794 15.387 ( 4.818 -3.436 -5.072) 7.794 16.890 ( -3.329 10.701 -1.074) 11.258 16.890 ( 3.329 10.701 -1.074) 11.258 17.396 ( -4.946 -14.760 -2.115) 15.709 17.396 ( 4.946 -14.760 -2.115) 15.709 24.017 ( -0.243 6.492 -0.374) 6.507 24.017 ( 0.243 6.492 -0.374) 6.507 24.267 ( -1.446 -4.427 -0.979) 4.759 24.267 ( 1.446 -4.427 -0.979) 4.759 24.736 ( -10.966 8.536 -2.217) 14.072 24.736 ( 10.966 8.536 -2.217) 14.072 24.807 ( -10.758 3.709 -3.033) 11.777 24.807 ( 10.758 3.709 -3.033) 11.777 26.735 ( -3.129 11.168 0.002) 11.598 26.735 ( 3.129 11.168 0.002) 11.598 27.246 ( -8.292 -12.626 -2.683) 15.342 27.246 ( 8.292 -12.626 -2.683) 15.342 28.689 ( -13.569 6.894 5.997) 16.359 28.689 ( 13.569 6.894 5.997) 16.359 29.155 ( -19.640 -18.362 6.779) 27.728 29.155 ( 19.640 -18.362 6.779) 27.728 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 0.000 -7.369 0.712) 7.404 2.650 ( 0.000 7.369 0.712) 7.404 2.857 ( 0.000 -5.290 7.240) 8.967 2.857 ( 0.000 5.290 7.240) 8.967 3.439 ( 0.000 -14.219 8.134) 16.381 3.439 ( 0.000 14.219 8.134) 16.381 3.780 ( 0.000 -0.962 2.197) 2.398 3.780 ( 0.000 0.962 2.197) 2.398 4.095 ( 0.000 -0.161 6.409) 6.411 4.095 ( 0.000 0.161 6.409) 6.411 4.442 ( 0.000 -19.095 1.796) 19.179 4.442 ( 0.000 19.095 1.796) 19.179 4.805 ( 0.000 -11.300 -6.377) 12.975 4.805 ( 0.000 11.300 -6.377) 12.975 4.859 ( 0.000 -1.346 -1.198) 1.802 4.859 ( 0.000 1.346 -1.198) 1.802 5.235 ( 0.000 -3.931 4.301) 5.827 5.235 ( 0.000 3.931 4.301) 5.827 5.408 ( 0.000 -0.703 1.035) 1.251 5.408 ( 0.000 0.703 1.035) 1.251 5.978 ( 0.000 -4.507 -8.035) 9.213 5.978 ( 0.000 4.507 -8.035) 9.213 6.167 ( 0.000 -7.649 -9.156) 11.930 6.167 ( 0.000 7.649 -9.156) 11.930 6.327 ( 0.000 -9.596 -2.436) 9.900 6.327 ( 0.000 9.596 -2.436) 9.900 6.934 ( 0.000 -9.017 0.007) 9.017 6.934 ( 0.000 9.017 0.007) 9.017 7.219 ( 0.000 -2.112 2.316) 3.134 7.219 ( 0.000 2.112 2.316) 3.134 7.356 ( 0.000 -5.897 -3.085) 6.655 7.356 ( 0.000 5.897 -3.085) 6.655 7.828 ( 0.000 -9.942 -6.729) 12.005 7.828 ( 0.000 9.942 -6.729) 12.005 8.078 ( 0.000 -6.720 -4.049) 7.845 8.078 ( 0.000 6.720 -4.049) 7.845 8.201 ( 0.000 -5.205 -8.549) 10.009 8.201 ( 0.000 5.205 -8.549) 10.009 8.562 ( 0.000 -10.285 1.392) 10.379 8.562 ( 0.000 10.285 1.392) 10.379 8.689 ( 0.000 -7.868 0.681) 7.897 8.689 ( 0.000 7.868 0.681) 7.897 8.921 ( 0.000 -3.466 0.359) 3.484 8.921 ( 0.000 3.466 0.359) 3.484 9.287 ( 0.000 -6.998 8.652) 11.128 9.287 ( 0.000 6.998 8.652) 11.128 9.730 ( 0.000 -3.331 -2.357) 4.080 9.730 ( 0.000 3.331 -2.357) 4.080 11.931 ( 0.000 -2.041 -3.971) 4.465 11.931 ( 0.000 2.041 -3.971) 4.465 12.260 ( 0.000 -0.676 -1.174) 1.355 12.260 ( 0.000 0.676 -1.174) 1.355 12.559 ( 0.000 -5.400 6.915) 8.773 12.559 ( 0.000 5.400 6.915) 8.773 12.726 ( 0.000 -0.437 9.879) 9.888 12.726 ( 0.000 0.437 9.879) 9.888 14.058 ( 0.000 -14.988 -0.735) 15.006 14.058 ( 0.000 14.988 -0.735) 15.006 14.914 ( 0.000 -0.024 -0.381) 0.382 14.914 ( 0.000 0.024 -0.381) 0.382 15.271 ( 0.000 -0.235 -5.248) 5.253 15.271 ( 0.000 0.235 -5.248) 5.253 15.420 ( 0.000 -6.477 -0.850) 6.533 15.420 ( 0.000 6.477 -0.850) 6.533 16.999 ( 0.000 -10.469 -5.197) 11.688 16.999 ( 0.000 10.469 -5.197) 11.688 17.231 ( 0.000 -13.384 0.184) 13.385 17.231 ( 0.000 13.384 0.184) 13.385 24.130 ( 0.000 -2.443 -2.251) 3.321 24.130 ( 0.000 2.443 -2.251) 3.321 24.221 ( 0.000 -2.575 2.509) 3.595 24.221 ( 0.000 2.575 2.509) 3.595 24.523 ( 0.000 -1.558 -0.609) 1.673 24.523 ( 0.000 1.558 -0.609) 1.673 25.380 ( 0.000 -13.402 -11.729) 17.810 25.380 ( 0.000 13.402 -11.729) 17.810 26.617 ( 0.000 -0.455 -10.928) 10.937 26.617 ( 0.000 0.455 -10.928) 10.937 27.264 ( 0.000 -13.107 15.373) 20.202 27.264 ( 0.000 13.107 15.373) 20.202 28.216 ( 0.000 -3.466 7.190) 7.982 28.216 ( 0.000 3.466 7.190) 7.982 29.286 ( 0.000 -13.824 5.112) 14.739 29.286 ( 0.000 13.824 5.112) 14.739 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.25 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( 7.285 -18.789 2.059) 20.257 2.731 ( 7.285 18.789 2.059) 20.257 2.926 ( 5.928 -17.698 8.046) 20.325 2.926 ( 5.928 17.698 8.046) 20.325 3.344 ( -8.762 -15.737 7.452) 19.493 3.344 ( -8.762 15.737 7.452) 19.493 3.445 ( -18.010 -9.001 6.550) 21.173 3.445 ( -18.010 9.001 6.550) 21.173 4.354 ( 13.192 -9.311 -1.289) 16.198 4.354 ( 13.192 9.311 -1.289) 16.198 4.555 ( 6.326 -5.617 -1.877) 8.665 4.555 ( 6.326 5.617 -1.877) 8.665 4.832 ( 0.134 -4.419 -2.236) 4.954 4.832 ( 0.134 4.419 -2.236) 4.954 4.901 ( 3.933 -8.857 -4.787) 10.809 4.901 ( 3.933 8.857 -4.787) 10.809 5.301 ( 7.723 -9.610 5.886) 13.662 5.301 ( 7.723 9.610 5.886) 13.662 5.466 ( 4.447 -2.025 2.245) 5.378 5.466 ( 4.447 2.025 2.245) 5.378 5.911 ( -4.383 -6.143 -6.698) 10.090 5.911 ( -4.383 6.143 -6.698) 10.090 6.131 ( -4.635 -9.011 -7.539) 12.630 6.131 ( -4.635 9.011 -7.539) 12.630 6.356 ( 2.925 -8.473 -3.399) 9.586 6.356 ( 2.925 8.473 -3.399) 9.586 6.766 ( -13.684 -5.484 0.488) 14.750 6.766 ( -13.684 5.484 0.488) 14.750 7.227 ( 0.986 -3.789 1.537) 4.206 7.227 ( 0.986 3.789 1.537) 4.206 7.330 ( -2.196 -6.967 -2.140) 7.612 7.330 ( -2.196 6.967 -2.140) 7.612 7.746 ( -4.041 -4.752 -5.663) 8.425 7.746 ( -4.041 4.752 -5.663) 8.425 7.906 ( -10.364 -3.340 -2.886) 11.265 7.906 ( -10.364 3.340 -2.886) 11.265 8.245 ( 2.187 -8.966 -2.601) 9.589 8.245 ( 2.187 8.966 -2.601) 9.589 8.408 ( -6.331 -4.713 1.664) 8.066 8.408 ( -6.331 4.713 1.664) 8.066 8.901 ( 10.935 -10.934 -2.462) 15.659 8.901 ( 10.935 10.934 -2.462) 15.659 9.048 ( 5.677 -10.848 -2.231) 12.445 9.048 ( 5.677 10.848 -2.231) 12.445 9.373 ( 7.571 -3.653 4.740) 9.651 9.373 ( 7.571 3.653 4.740) 9.651 9.691 ( -3.569 -4.042 -2.000) 5.751 9.691 ( -3.569 4.042 -2.000) 5.751 11.974 ( 3.692 -1.648 -3.013) 5.042 11.974 ( 3.692 1.648 -3.013) 5.042 12.198 ( -4.676 -0.916 -0.517) 4.793 12.198 ( -4.676 0.916 -0.517) 4.793 12.599 ( 3.012 -5.060 6.292) 8.618 12.599 ( 3.012 5.060 6.292) 8.618 12.717 ( -1.047 -2.809 8.784) 9.281 12.717 ( -1.047 2.809 8.784) 9.281 14.173 ( 9.856 -13.338 -0.216) 16.586 14.173 ( 9.856 13.338 -0.216) 16.586 14.778 ( -11.360 -2.737 0.225) 11.687 14.778 ( -11.360 2.737 0.225) 11.687 15.281 ( 0.942 -1.079 -4.860) 5.066 15.281 ( 0.942 1.079 -4.860) 5.066 15.384 ( -2.825 -5.542 -1.859) 6.493 15.384 ( -2.825 5.542 -1.859) 6.493 17.039 ( 3.201 -11.352 -4.105) 12.488 17.039 ( 3.201 11.352 -4.105) 12.488 17.201 ( -2.595 -13.257 -0.421) 13.515 17.201 ( -2.595 13.257 -0.421) 13.515 24.132 ( 0.323 -2.702 -1.794) 3.260 24.132 ( 0.323 2.702 -1.794) 3.260 24.192 ( -2.030 -3.071 1.299) 3.904 24.192 ( -2.030 3.071 1.299) 3.904 24.606 ( 7.117 -1.681 -0.640) 7.341 24.606 ( 7.117 1.681 -0.640) 7.341 25.167 ( -15.281 -6.695 -7.532) 18.305 25.167 ( -15.281 6.695 -7.532) 18.305 26.759 ( 9.987 -4.728 -8.781) 14.114 26.759 ( 9.987 4.728 -8.781) 14.114 27.170 ( -7.068 -11.320 8.540) 15.844 27.170 ( -7.068 11.320 8.540) 15.844 28.448 ( 17.609 -6.111 7.995) 20.282 28.448 ( 17.609 6.111 7.995) 20.282 29.177 ( -9.648 -13.312 5.514) 17.341 29.177 ( -9.648 13.312 5.514) 17.341 ======================= Grid point 69 (30/90) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( -10.702 -16.964 5.315) 20.750 2.963 ( 9.822 -16.831 5.315) 20.199 2.963 ( -9.822 16.831 5.315) 20.199 2.963 ( 10.702 16.964 5.315) 20.750 3.177 ( -6.422 -18.252 7.989) 20.933 3.177 ( 6.289 -18.241 7.989) 20.883 3.177 ( -6.289 18.241 7.989) 20.883 3.177 ( 6.422 18.252 7.989) 20.933 4.572 ( -4.580 -11.223 -5.082) 13.144 4.572 ( 3.578 -11.132 -5.082) 12.749 4.572 ( -3.578 11.132 -5.082) 12.749 4.572 ( 4.580 11.223 -5.082) 13.144 4.889 ( -2.772 -8.432 -3.210) 9.439 4.889 ( 1.313 -8.343 -3.210) 9.036 4.889 ( -1.313 8.343 -3.210) 9.036 4.889 ( 2.772 8.432 -3.210) 9.439 5.511 ( -3.470 -4.946 3.399) 6.932 5.511 ( 0.652 -4.643 3.399) 5.791 5.511 ( -0.652 4.643 3.399) 5.791 5.511 ( 3.470 4.946 3.399) 6.932 5.933 ( -9.548 -9.565 -3.611) 13.989 5.933 ( 9.402 -9.529 -3.611) 13.865 5.933 ( -9.402 9.529 -3.611) 13.865 5.933 ( 9.548 9.565 -3.611) 13.989 6.478 ( -8.782 -5.462 -2.163) 10.566 6.478 ( 3.013 -3.581 -2.163) 5.155 6.478 ( -3.013 3.581 -2.163) 5.155 6.478 ( 8.782 5.462 -2.163) 10.566 7.270 ( -2.709 -7.697 -0.032) 8.160 7.270 ( 2.700 -7.696 -0.032) 8.156 7.270 ( -2.700 7.696 -0.032) 8.156 7.270 ( 2.709 7.697 -0.032) 8.160 7.736 ( -2.722 -2.454 -3.142) 4.827 7.736 ( -1.137 -2.120 -3.142) 3.957 7.736 ( 1.137 2.120 -3.142) 3.957 7.736 ( 2.722 2.454 -3.142) 4.827 8.305 ( -3.345 -6.767 0.525) 7.567 8.305 ( 3.299 -6.762 0.525) 7.542 8.305 ( -3.299 6.762 0.525) 7.542 8.305 ( 3.345 6.767 0.525) 7.567 9.071 ( -3.397 -12.907 -3.100) 13.702 9.071 ( 3.292 -12.900 -3.100) 13.669 9.071 ( -3.292 12.900 -3.100) 13.669 9.071 ( 3.397 12.907 -3.100) 13.702 9.564 ( -7.688 -6.083 -0.657) 9.826 9.564 ( 6.177 -5.636 -0.657) 8.388 9.564 ( -6.177 5.636 -0.657) 8.388 9.564 ( 7.688 6.083 -0.657) 9.826 12.081 ( -5.353 -1.148 -1.181) 5.600 12.081 ( -5.170 0.914 -1.181) 5.381 12.081 ( 5.170 -0.914 -1.181) 5.381 12.081 ( 5.353 1.148 -1.181) 5.600 12.671 ( -1.604 -11.443 6.906) 13.461 12.671 ( 0.975 -11.425 6.906) 13.386 12.671 ( -0.975 11.425 6.906) 13.386 12.671 ( 1.604 11.443 6.906) 13.461 14.464 ( -14.774 -9.005 0.467) 17.308 14.464 ( 5.866 -5.927 0.467) 8.353 14.464 ( -5.866 5.927 0.467) 8.353 14.464 ( 14.774 9.005 0.467) 17.308 15.319 ( -2.365 -3.502 -3.552) 5.521 15.319 ( 2.014 -3.447 -3.552) 5.344 15.319 ( -2.014 3.447 -3.552) 5.344 15.319 ( 2.365 3.502 -3.552) 5.521 17.124 ( -3.903 -13.007 -2.043) 13.733 17.124 ( 3.830 -13.002 -2.043) 13.707 17.124 ( -3.830 13.002 -2.043) 13.707 17.124 ( 3.903 13.007 -2.043) 13.733 24.150 ( -0.749 -6.824 -0.520) 6.884 24.150 ( 0.521 -6.818 -0.520) 6.858 24.150 ( -0.521 6.818 -0.520) 6.858 24.150 ( 0.749 6.824 -0.520) 6.884 24.833 ( -13.000 -1.472 -2.563) 13.331 24.833 ( -12.953 1.365 -2.563) 13.275 24.833 ( 12.953 -1.365 -2.563) 13.275 24.833 ( 13.000 1.472 -2.563) 13.331 26.983 ( -7.205 -13.351 -1.436) 15.239 26.983 ( 2.987 -12.942 -1.436) 13.360 26.983 ( -2.987 12.942 -1.436) 13.360 26.983 ( 7.205 13.351 -1.436) 15.239 28.866 ( -17.232 -11.439 6.788) 21.768 28.866 ( 8.942 -8.753 6.788) 14.235 28.866 ( -8.942 8.753 6.788) 14.235 28.866 ( 17.232 11.439 6.788) 21.768 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 0.000 0.000 34.193) 34.193 1.465 ( 0.000 0.000 35.055) 35.055 2.434 ( 0.000 0.000 54.396) 54.396 2.801 ( 0.000 0.000 11.422) 11.422 2.937 ( 0.000 0.000 -4.141) 4.141 3.000 ( 0.000 0.000 11.923) 11.923 3.530 ( 0.000 0.000 -9.352) 9.352 4.018 ( 0.000 0.000 -6.122) 6.122 4.220 ( 0.000 0.000 -3.731) 3.731 4.255 ( 0.000 0.000 -5.789) 5.789 4.395 ( 0.000 0.000 -9.752) 9.752 4.446 ( 0.000 0.000 -10.884) 10.884 4.624 ( 0.000 0.000 -6.091) 6.091 4.637 ( 0.000 0.000 -2.367) 2.367 5.061 ( 0.000 0.000 -5.545) 5.545 5.105 ( 0.000 0.000 -2.158) 2.158 5.105 ( 0.000 0.000 -1.221) 1.221 5.253 ( 0.000 0.000 -6.272) 6.272 5.433 ( 0.000 0.000 5.370) 5.370 5.444 ( 0.000 0.000 15.334) 15.334 5.592 ( 0.000 0.000 2.662) 2.662 5.747 ( 0.000 0.000 -10.486) 10.486 5.783 ( 0.000 0.000 -3.972) 3.972 6.071 ( 0.000 0.000 18.604) 18.604 6.295 ( 0.000 0.000 -4.368) 4.368 6.310 ( 0.000 0.000 2.112) 2.112 6.427 ( 0.000 0.000 -6.777) 6.777 6.567 ( 0.000 0.000 -9.103) 9.103 6.665 ( 0.000 0.000 -11.802) 11.802 6.696 ( 0.000 0.000 5.493) 5.493 7.168 ( 0.000 0.000 -1.640) 1.640 7.507 ( 0.000 0.000 4.871) 4.871 7.534 ( 0.000 0.000 -0.644) 0.644 7.808 ( 0.000 0.000 -4.990) 4.990 7.883 ( 0.000 0.000 -0.550) 0.550 8.041 ( 0.000 0.000 -0.510) 0.510 8.082 ( 0.000 0.000 -10.261) 10.261 8.378 ( 0.000 0.000 -4.361) 4.361 8.724 ( 0.000 0.000 -13.774) 13.774 8.756 ( 0.000 0.000 8.160) 8.160 8.923 ( 0.000 0.000 -13.283) 13.283 9.199 ( 0.000 0.000 2.010) 2.010 9.241 ( 0.000 0.000 -8.660) 8.660 9.276 ( 0.000 0.000 1.454) 1.454 9.374 ( 0.000 0.000 3.133) 3.133 9.685 ( 0.000 0.000 1.011) 1.011 9.755 ( 0.000 0.000 -2.945) 2.945 10.311 ( 0.000 0.000 -14.322) 14.322 11.416 ( 0.000 0.000 1.670) 1.670 11.703 ( 0.000 0.000 -0.832) 0.832 11.767 ( 0.000 0.000 5.479) 5.479 12.018 ( 0.000 0.000 2.967) 2.967 12.496 ( 0.000 0.000 14.566) 14.566 12.668 ( 0.000 0.000 7.538) 7.538 13.353 ( 0.000 0.000 -0.289) 0.289 13.391 ( 0.000 0.000 -0.314) 0.314 13.473 ( 0.000 0.000 7.104) 7.104 13.750 ( 0.000 0.000 6.109) 6.109 14.851 ( 0.000 0.000 -1.530) 1.530 14.857 ( 0.000 0.000 -1.854) 1.854 14.983 ( 0.000 0.000 2.964) 2.964 15.160 ( 0.000 0.000 -6.601) 6.601 15.270 ( 0.000 0.000 -1.263) 1.263 15.680 ( 0.000 0.000 -7.652) 7.652 16.448 ( 0.000 0.000 -0.656) 0.656 17.401 ( 0.000 0.000 -7.529) 7.529 17.669 ( 0.000 0.000 0.421) 0.421 18.104 ( 0.000 0.000 -6.124) 6.124 23.575 ( 0.000 0.000 1.208) 1.208 23.713 ( 0.000 0.000 1.114) 1.114 23.789 ( 0.000 0.000 -1.449) 1.449 23.941 ( 0.000 0.000 -1.923) 1.923 24.323 ( 0.000 0.000 -0.240) 0.240 24.362 ( 0.000 0.000 -0.307) 0.307 24.549 ( 0.000 0.000 0.758) 0.758 24.755 ( 0.000 0.000 -3.333) 3.333 26.431 ( 0.000 0.000 1.364) 1.364 26.493 ( 0.000 0.000 0.186) 0.186 27.107 ( 0.000 0.000 5.715) 5.715 28.004 ( 0.000 0.000 0.667) 0.667 28.570 ( 0.000 0.000 8.845) 8.845 29.042 ( 0.000 0.000 14.728) 14.728 29.048 ( 0.000 0.000 -4.815) 4.815 30.777 ( 0.000 0.000 -11.868) 11.868 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 17.662 0.000 28.262) 33.327 1.772 ( 21.558 0.000 29.523) 36.556 2.507 ( -18.388 0.000 12.102) 22.013 2.610 ( -1.462 0.000 26.276) 26.317 2.981 ( 15.590 0.000 31.596) 35.233 3.121 ( 8.995 0.000 -3.810) 9.768 3.457 ( -5.671 0.000 -8.958) 10.602 3.911 ( -5.381 0.000 -14.167) 15.155 4.244 ( -5.572 0.000 -7.427) 9.284 4.315 ( 4.345 0.000 -7.520) 8.685 4.389 ( 4.788 0.000 5.758) 7.489 4.518 ( 5.908 0.000 -6.251) 8.601 4.555 ( -4.789 0.000 -8.109) 9.418 4.841 ( 11.912 0.000 -6.381) 13.513 4.909 ( -8.647 0.000 -1.065) 8.712 5.123 ( -7.885 0.000 -1.231) 7.980 5.212 ( -11.848 0.000 22.820) 25.713 5.228 ( 7.453 0.000 -9.288) 11.908 5.357 ( 7.072 0.000 -3.028) 7.694 5.501 ( -3.905 0.000 -0.274) 3.915 5.559 ( -3.464 0.000 -1.605) 3.818 5.615 ( 2.361 0.000 -1.444) 2.768 5.678 ( -5.835 0.000 -9.342) 11.014 6.034 ( -4.695 0.000 9.982) 11.031 6.221 ( -0.018 0.000 3.258) 3.258 6.420 ( -0.506 0.000 -5.370) 5.394 6.424 ( 1.193 0.000 -7.576) 7.670 6.519 ( 0.792 0.000 -0.779) 1.111 6.671 ( -2.684 0.000 -9.876) 10.235 6.685 ( -1.564 0.000 -0.703) 1.714 7.248 ( 7.372 0.000 -0.326) 7.380 7.567 ( 3.380 0.000 2.637) 4.287 7.592 ( 4.550 0.000 -1.451) 4.775 7.782 ( -2.409 0.000 -4.506) 5.110 7.852 ( -2.302 0.000 -0.745) 2.419 7.881 ( -6.271 0.000 6.113) 8.757 8.157 ( 2.169 0.000 -6.052) 6.429 8.431 ( -6.265 0.000 -10.050) 11.843 8.497 ( -0.414 0.000 -7.471) 7.483 8.787 ( 2.818 0.000 7.682) 8.182 8.982 ( -12.482 0.000 -6.734) 14.182 9.040 ( -7.952 0.000 4.044) 8.921 9.164 ( 5.494 0.000 -3.202) 6.359 9.371 ( -1.604 0.000 2.565) 3.025 9.438 ( 8.180 0.000 -0.241) 8.184 9.716 ( -3.477 0.000 -2.622) 4.355 9.877 ( 18.748 0.000 -11.948) 22.232 10.446 ( 2.394 0.000 -23.457) 23.578 11.442 ( 2.301 0.000 1.655) 2.834 11.616 ( -4.822 0.000 1.331) 5.002 11.850 ( 4.400 0.000 3.293) 5.496 11.998 ( -1.815 0.000 2.960) 3.472 12.555 ( 6.078 0.000 14.518) 15.739 12.831 ( 6.170 0.000 8.201) 10.262 13.358 ( 0.448 0.000 -0.292) 0.535 13.385 ( -0.507 0.000 -0.310) 0.594 13.415 ( 0.987 0.000 7.900) 7.962 13.772 ( -1.486 0.000 4.254) 4.506 14.853 ( 0.117 0.000 -1.574) 1.579 14.857 ( -0.034 0.000 -1.803) 1.803 15.014 ( 2.270 0.000 1.731) 2.855 15.128 ( -3.196 0.000 -5.443) 6.312 15.207 ( -1.247 0.000 -1.939) 2.306 15.567 ( -9.293 0.000 -7.744) 12.097 16.514 ( 5.427 0.000 0.851) 5.494 16.997 ( -18.875 0.000 5.094) 19.551 17.923 ( 9.233 0.000 -8.576) 12.601 18.099 ( -0.779 0.000 -6.493) 6.540 23.588 ( 1.167 0.000 1.134) 1.627 23.676 ( -2.368 0.000 0.841) 2.513 23.828 ( 2.519 0.000 -1.227) 2.802 23.925 ( -1.359 0.000 -1.790) 2.247 24.332 ( 0.915 0.000 -0.531) 1.058 24.381 ( 0.228 0.000 -1.396) 1.414 24.569 ( 2.358 0.000 0.029) 2.358 24.724 ( -2.644 0.000 -2.963) 3.971 26.433 ( 2.284 0.000 0.940) 2.470 26.570 ( 1.073 0.000 5.633) 5.734 27.209 ( 10.554 0.000 -4.692) 11.550 27.910 ( -12.229 0.000 -2.237) 12.432 28.499 ( 2.363 0.000 10.632) 10.891 28.801 ( -6.013 0.000 8.118) 10.102 29.636 ( 27.799 0.000 -3.052) 27.967 30.608 ( -14.012 0.000 -8.246) 16.258 ======================= Grid point 92 (33/90) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -22.208 0.000 19.100) 29.292 2.042 ( 22.208 0.000 19.100) 29.292 2.262 ( -20.967 0.000 22.813) 30.985 2.262 ( 20.967 0.000 22.813) 30.985 3.306 ( -7.542 0.000 -7.130) 10.379 3.306 ( 7.542 0.000 -7.130) 10.379 3.638 ( -26.134 0.000 8.738) 27.557 3.638 ( 26.134 0.000 8.738) 27.557 4.241 ( -9.377 0.000 2.403) 9.680 4.241 ( 9.377 0.000 2.403) 9.680 4.426 ( -5.492 0.000 -8.254) 9.914 4.426 ( 5.492 0.000 -8.254) 9.914 4.705 ( -9.228 0.000 -2.585) 9.583 4.705 ( 9.228 0.000 -2.585) 9.583 4.967 ( -7.054 0.000 5.058) 8.680 4.967 ( 7.054 0.000 5.058) 8.680 5.258 ( -12.327 0.000 -1.396) 12.406 5.258 ( 12.327 0.000 -1.396) 12.406 5.416 ( -8.253 0.000 -8.194) 11.630 5.416 ( 8.253 0.000 -8.194) 11.630 5.525 ( -7.032 0.000 -4.477) 8.336 5.525 ( 7.032 0.000 -4.477) 8.336 5.857 ( -10.897 0.000 3.399) 11.415 5.857 ( 10.897 0.000 3.399) 11.415 6.298 ( -6.050 0.000 2.228) 6.447 6.298 ( 6.050 0.000 2.228) 6.447 6.527 ( -7.602 0.000 -8.101) 11.109 6.527 ( 7.602 0.000 -8.101) 11.109 6.617 ( -4.465 0.000 -3.322) 5.565 6.617 ( 4.465 0.000 -3.322) 5.565 7.482 ( -10.898 0.000 0.120) 10.899 7.482 ( 10.898 0.000 0.120) 10.899 7.702 ( -4.598 0.000 -3.138) 5.567 7.702 ( 4.598 0.000 -3.138) 5.567 7.829 ( -2.099 0.000 3.374) 3.973 7.829 ( 2.099 0.000 3.374) 3.973 8.216 ( -5.508 0.000 -3.405) 6.476 8.216 ( 5.508 0.000 -3.405) 6.476 8.689 ( -11.480 0.000 -7.652) 13.797 8.689 ( 11.480 0.000 -7.652) 13.797 8.884 ( -5.746 0.000 6.220) 8.468 8.884 ( 5.746 0.000 6.220) 8.468 9.299 ( -4.864 0.000 0.818) 4.932 9.299 ( 4.864 0.000 0.818) 4.932 9.604 ( -6.363 0.000 -1.697) 6.586 9.604 ( 6.363 0.000 -1.697) 6.586 10.293 ( -14.853 0.000 -22.449) 26.918 10.293 ( 14.853 0.000 -22.449) 26.918 11.515 ( -4.022 0.000 1.600) 4.329 11.515 ( 4.022 0.000 1.600) 4.329 11.939 ( -3.383 0.000 2.997) 4.519 11.939 ( 3.383 0.000 2.997) 4.519 12.746 ( -9.527 0.000 14.099) 17.016 12.746 ( 9.527 0.000 14.099) 17.016 13.371 ( -0.676 0.000 -0.300) 0.739 13.371 ( 0.676 0.000 -0.300) 0.739 13.614 ( -11.583 0.000 4.837) 12.552 13.614 ( 11.583 0.000 4.837) 12.552 14.855 ( -0.108 0.000 -1.685) 1.689 14.855 ( 0.108 0.000 -1.685) 1.689 15.059 ( -2.270 0.000 -2.478) 3.361 15.059 ( 2.270 0.000 -2.478) 3.361 15.325 ( -10.374 0.000 -5.934) 11.951 15.325 ( 10.374 0.000 -5.934) 11.951 16.683 ( -10.000 0.000 4.091) 10.804 16.683 ( 10.000 0.000 4.091) 10.804 18.054 ( -3.475 0.000 -7.754) 8.497 18.054 ( 3.475 0.000 -7.754) 8.497 23.625 ( -2.056 0.000 0.959) 2.268 23.625 ( 2.056 0.000 0.959) 2.268 23.883 ( -2.298 0.000 -1.476) 2.731 23.883 ( 2.298 0.000 -1.476) 2.731 24.361 ( -1.463 0.000 -0.970) 1.755 24.361 ( 1.463 0.000 -0.970) 1.755 24.647 ( -3.918 0.000 -1.861) 4.338 24.647 ( 3.918 0.000 -1.861) 4.338 26.516 ( -4.269 0.000 4.391) 6.124 26.516 ( 4.269 0.000 4.391) 6.124 27.544 ( -17.447 0.000 -6.143) 18.497 27.544 ( 17.447 0.000 -6.143) 18.497 28.651 ( -7.866 0.000 9.043) 11.986 28.651 ( 7.866 0.000 9.043) 11.986 30.198 ( -21.940 0.000 -5.370) 22.588 30.198 ( 21.940 0.000 -5.370) 22.588 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 0.000 16.622 30.276) 34.538 1.607 ( 0.000 13.811 30.384) 33.376 2.652 ( 0.000 20.665 43.314) 47.991 2.974 ( 0.000 10.409 11.411) 15.445 3.036 ( 0.000 9.391 -1.605) 9.527 3.078 ( 0.000 14.408 12.681) 19.193 3.643 ( 0.000 10.813 -8.486) 13.745 4.001 ( 0.000 -1.961 -2.327) 3.043 4.099 ( 0.000 -10.959 -2.478) 11.236 4.264 ( 0.000 -1.201 -2.401) 2.684 4.305 ( 0.000 -4.665 -13.021) 13.831 4.465 ( 0.000 -3.374 -3.233) 4.673 4.623 ( 0.000 -0.654 -0.532) 0.842 4.644 ( 0.000 3.283 -10.503) 11.004 5.070 ( 0.000 -1.787 -9.471) 9.638 5.088 ( 0.000 0.475 -3.601) 3.632 5.174 ( 0.000 5.237 -2.502) 5.804 5.309 ( 0.000 6.478 -4.093) 7.663 5.369 ( 0.000 -4.814 3.484) 5.942 5.468 ( 0.000 3.263 9.245) 9.804 5.652 ( 0.000 3.511 1.179) 3.704 5.707 ( 0.000 -3.398 -3.678) 5.007 5.909 ( 0.000 11.356 -4.776) 12.320 5.984 ( 0.000 -4.955 7.149) 8.698 6.188 ( 0.000 -8.795 0.296) 8.800 6.375 ( 0.000 1.500 1.032) 1.820 6.528 ( 0.000 6.321 -7.129) 9.528 6.605 ( 0.000 4.769 -7.624) 8.993 6.691 ( 0.000 2.763 8.169) 8.624 6.741 ( 0.000 6.095 -12.033) 13.488 7.183 ( 0.000 1.012 -3.209) 3.365 7.491 ( 0.000 -1.230 2.244) 2.559 7.595 ( 0.000 5.487 -0.391) 5.501 7.803 ( 0.000 -1.027 -3.802) 3.938 7.885 ( 0.000 -0.340 -1.490) 1.529 8.033 ( 0.000 1.114 -0.422) 1.191 8.059 ( 0.000 -2.168 -9.605) 9.847 8.340 ( 0.000 -3.741 -5.024) 6.264 8.643 ( 0.000 -10.083 1.601) 10.210 8.722 ( 0.000 -0.091 -12.689) 12.689 8.916 ( 0.000 -1.222 -5.464) 5.598 9.065 ( 0.000 -9.174 4.715) 10.315 9.150 ( 0.000 -7.760 -6.295) 9.993 9.249 ( 0.000 -3.199 1.058) 3.369 9.451 ( 0.000 3.788 0.740) 3.860 9.623 ( 0.000 -3.209 -1.454) 3.523 9.825 ( 0.000 2.837 -1.486) 3.203 10.173 ( 0.000 -11.006 -6.193) 12.629 11.538 ( 0.000 10.836 0.035) 10.836 11.711 ( 0.000 0.952 -1.185) 1.520 11.860 ( 0.000 6.101 0.863) 6.162 12.031 ( 0.000 1.385 2.517) 2.872 12.527 ( 0.000 2.956 14.765) 15.058 12.700 ( 0.000 2.905 8.390) 8.879 13.304 ( 0.000 -6.244 5.722) 8.469 13.356 ( 0.000 -1.432 1.200) 1.869 13.454 ( 0.000 0.069 5.968) 5.969 14.004 ( 0.000 19.931 -7.852) 21.422 14.786 ( 0.000 -5.126 -0.342) 5.138 14.864 ( 0.000 0.669 -1.709) 1.835 15.036 ( 0.000 4.076 1.461) 4.330 15.158 ( 0.000 -0.222 -6.641) 6.645 15.275 ( 0.000 0.423 -1.177) 1.251 15.651 ( 0.000 -2.816 -7.003) 7.548 16.483 ( 0.000 3.506 -0.885) 3.616 17.360 ( 0.000 -4.066 -7.406) 8.449 17.416 ( 0.000 -19.620 7.969) 21.176 18.004 ( 0.000 -9.686 -5.624) 11.201 23.751 ( 0.000 4.809 0.776) 4.871 23.874 ( 0.000 5.544 -2.038) 5.907 23.938 ( 0.000 3.002 -1.300) 3.271 24.026 ( 0.000 34.281 -17.100) 38.310 24.352 ( 0.000 3.052 -0.079) 3.053 24.470 ( 0.000 9.673 -1.281) 9.757 24.537 ( 0.000 -0.284 0.805) 0.854 24.727 ( 0.000 -2.691 -2.911) 3.964 26.434 ( 0.000 0.399 0.700) 0.806 26.483 ( 0.000 -0.943 0.109) 0.949 27.114 ( 0.000 0.897 6.068) 6.134 27.997 ( 0.000 -1.007 0.033) 1.007 28.559 ( 0.000 -1.246 9.151) 9.235 28.895 ( 0.000 -14.197 1.881) 14.322 29.055 ( 0.000 1.419 14.056) 14.128 30.536 ( 0.000 -20.813 -3.697) 21.139 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 16.990 14.696 26.261) 34.558 1.886 ( 19.511 11.330 26.595) 34.876 2.679 ( -18.340 14.961 10.928) 26.069 2.701 ( -8.695 8.212 19.580) 22.944 3.082 ( 17.394 12.487 25.052) 32.956 3.286 ( 10.459 14.817 3.617) 18.493 3.574 ( -5.277 11.270 -7.848) 14.712 3.874 ( -5.327 -3.636 -12.457) 14.028 4.159 ( -4.598 -7.214 -4.927) 9.872 4.258 ( 5.705 -8.526 6.738) 12.274 4.360 ( 2.347 0.885 -9.778) 10.095 4.507 ( 1.450 -3.958 1.912) 4.629 4.637 ( 2.625 7.905 -9.997) 13.012 4.794 ( 10.460 -2.944 -5.608) 12.228 4.947 ( -9.034 -1.435 -5.690) 10.773 5.049 ( -5.835 1.307 -0.374) 5.991 5.212 ( -8.182 1.011 5.858) 10.113 5.297 ( 2.100 0.410 1.529) 2.630 5.419 ( 4.438 1.206 -5.315) 7.029 5.498 ( 0.486 3.173 -5.113) 6.037 5.504 ( 2.690 2.403 6.924) 7.807 5.708 ( -7.138 5.034 -7.173) 11.303 5.803 ( -1.633 8.189 -2.586) 8.742 5.938 ( -5.204 -4.877 6.208) 9.456 6.230 ( 0.746 -2.138 2.726) 3.544 6.356 ( 1.219 -2.492 -4.543) 5.323 6.501 ( -1.137 3.620 -5.985) 7.087 6.521 ( -5.321 2.818 -3.300) 6.866 6.698 ( 0.515 2.208 0.618) 2.350 6.780 ( 0.243 7.985 -8.849) 11.922 7.274 ( 7.075 2.074 -1.019) 7.443 7.525 ( 2.307 -3.405 0.218) 4.119 7.621 ( 2.272 2.563 -2.048) 3.990 7.777 ( -1.882 -1.082 -4.143) 4.677 7.851 ( -1.581 -1.039 2.190) 2.894 7.907 ( -6.210 4.305 3.007) 8.133 8.125 ( 1.627 -3.044 -4.992) 6.069 8.373 ( -9.890 -5.795 -8.126) 14.051 8.461 ( 3.900 -3.324 -8.266) 9.725 8.719 ( 0.620 -5.591 3.347) 6.545 8.977 ( -5.058 -4.424 3.753) 7.697 8.986 ( -10.589 -2.035 -0.887) 10.819 9.147 ( 7.851 -1.143 -3.597) 8.711 9.304 ( 2.542 -4.582 2.210) 5.687 9.491 ( 2.940 1.433 -3.504) 4.793 9.602 ( 0.016 -6.300 -2.696) 6.853 9.921 ( 10.464 0.803 -7.965) 13.175 10.301 ( 3.534 -12.192 -15.918) 20.360 11.562 ( 2.218 10.665 0.146) 10.894 11.710 ( -1.837 6.691 -1.427) 7.084 11.866 ( 2.015 1.860 2.129) 3.472 12.007 ( -2.126 1.075 2.539) 3.482 12.579 ( 4.957 2.094 14.364) 15.339 12.785 ( 2.771 -3.099 9.696) 10.550 13.332 ( 2.498 -3.897 5.036) 6.840 13.386 ( 2.241 -3.241 4.554) 6.022 13.460 ( 2.845 6.795 1.747) 7.570 13.932 ( -7.114 15.302 -4.517) 17.469 14.794 ( 0.726 -5.113 -0.694) 5.210 14.852 ( -1.158 -0.413 -1.478) 1.923 15.056 ( 1.435 3.306 0.349) 3.621 15.142 ( -2.119 1.405 -4.893) 5.514 15.210 ( -1.199 0.293 -2.338) 2.644 15.548 ( -8.577 -1.967 -7.077) 11.292 16.540 ( 4.797 2.785 0.444) 5.564 16.957 ( -15.904 -3.392 5.326) 17.112 17.751 ( 11.296 -14.566 -5.620) 19.270 17.988 ( -1.581 -10.494 -5.804) 12.096 23.749 ( 0.042 6.528 0.605) 6.556 23.846 ( -4.055 9.523 -2.844) 10.734 23.911 ( 0.247 9.888 -2.406) 10.179 23.982 ( -2.156 15.346 -6.406) 16.768 24.364 ( 1.372 3.015 -0.229) 3.321 24.457 ( -1.649 6.146 -1.068) 6.453 24.574 ( 2.814 1.808 -0.988) 3.488 24.703 ( -2.090 -2.026 -2.668) 3.949 26.442 ( 2.769 0.958 0.455) 2.965 26.580 ( 2.121 1.078 4.996) 5.533 27.188 ( 8.791 -2.086 -4.035) 9.895 27.873 ( -13.618 -3.995 -2.310) 14.379 28.496 ( 4.153 -0.182 10.936) 11.699 28.817 ( -4.623 1.556 7.814) 9.211 29.504 ( 26.158 -12.291 1.920) 28.966 30.401 ( -11.665 -18.534 -2.733) 22.069 ======================= Grid point 97 (36/90) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -20.305 13.292 18.535) 30.537 2.201 ( 20.305 13.292 18.535) 30.537 2.347 ( -17.499 9.176 21.152) 28.945 2.347 ( 17.499 9.176 21.152) 28.945 3.413 ( -7.851 10.029 -5.248) 13.775 3.413 ( 7.851 10.029 -5.248) 13.775 3.692 ( -16.754 5.012 1.546) 17.555 3.692 ( 16.754 5.012 1.546) 17.555 4.164 ( -9.118 -4.935 5.220) 11.608 4.164 ( 9.118 -4.935 5.220) 11.608 4.453 ( -6.202 -1.227 -3.448) 7.201 4.453 ( 6.202 -1.227 -3.448) 7.201 4.777 ( -7.911 6.540 -5.137) 11.478 4.777 ( 7.911 6.540 -5.137) 11.478 4.891 ( -3.817 -3.144 2.369) 5.483 4.891 ( 3.817 -3.144 2.369) 5.483 5.203 ( -8.692 -2.634 -1.358) 9.183 5.203 ( 8.692 -2.634 -1.358) 9.183 5.528 ( -6.158 5.869 -6.288) 10.578 5.528 ( 6.158 5.869 -6.288) 10.578 5.609 ( -1.289 5.234 -1.722) 5.659 5.609 ( 1.289 5.234 -1.722) 5.659 5.795 ( -4.658 -1.820 1.155) 5.133 5.795 ( 4.658 -1.820 1.155) 5.133 6.306 ( -5.757 0.491 0.935) 5.853 6.306 ( 5.757 0.491 0.935) 5.853 6.480 ( -1.339 -1.962 -7.096) 7.483 6.480 ( 1.339 -1.962 -7.096) 7.483 6.729 ( -2.788 7.846 -3.185) 8.915 6.729 ( 2.788 7.846 -3.185) 8.915 7.476 ( -8.347 -1.052 -0.943) 8.466 7.476 ( 8.347 -1.052 -0.943) 8.466 7.694 ( -4.238 -0.526 -3.347) 5.426 7.694 ( 4.238 -0.526 -3.347) 5.426 7.840 ( -1.293 1.608 3.000) 3.641 7.840 ( 1.293 1.608 3.000) 3.641 8.164 ( -4.473 -5.084 -2.248) 7.135 8.164 ( 4.473 -5.084 -2.248) 7.135 8.644 ( -8.251 -4.193 -6.617) 11.377 8.644 ( 8.251 -4.193 -6.617) 11.377 8.875 ( -2.493 -1.014 5.059) 5.730 8.875 ( 2.493 -1.014 5.059) 5.730 9.286 ( -3.967 -1.356 0.960) 4.301 9.286 ( 3.967 -1.356 0.960) 4.301 9.562 ( -3.224 -3.476 -2.938) 5.578 9.562 ( 3.224 -3.476 -2.938) 5.578 10.208 ( -10.995 -7.912 -17.998) 22.526 10.208 ( 10.995 -7.912 -17.998) 22.526 11.634 ( -3.892 10.190 -0.255) 10.911 11.634 ( 3.892 10.190 -0.255) 10.911 11.940 ( -3.606 0.389 2.422) 4.361 11.940 ( 3.606 0.389 2.422) 4.361 12.723 ( -6.589 -1.967 13.264) 14.941 12.723 ( 6.589 -1.967 13.264) 14.941 13.379 ( -1.650 -1.782 3.859) 4.560 13.379 ( 1.650 -1.782 3.859) 4.560 13.686 ( -13.430 8.993 0.670) 16.177 13.686 ( 13.430 8.993 0.670) 16.177 14.819 ( -1.452 -3.351 -1.238) 3.856 14.819 ( 1.452 -3.351 -1.238) 3.856 15.088 ( -1.758 2.488 -2.562) 3.981 15.088 ( 1.758 2.488 -2.562) 3.981 15.324 ( -9.588 -0.175 -5.778) 11.196 15.324 ( 9.588 -0.175 -5.778) 11.196 16.689 ( -8.730 0.971 3.380) 9.412 16.689 ( 8.730 0.971 3.380) 9.412 17.921 ( -4.722 -12.289 -6.375) 14.627 17.921 ( 4.722 -12.289 -6.375) 14.627 23.768 ( -2.058 10.048 -0.346) 10.262 23.768 ( 2.058 10.048 -0.346) 10.262 23.939 ( -1.747 8.028 -2.874) 8.704 23.939 ( 1.747 8.028 -2.874) 8.704 24.409 ( -2.360 4.398 -0.606) 5.028 24.409 ( 2.360 4.398 -0.606) 5.028 24.642 ( -3.079 -0.156 -2.039) 3.696 24.642 ( 3.079 -0.156 -2.039) 3.696 26.533 ( -4.465 1.908 4.016) 6.301 26.533 ( 4.465 1.908 4.016) 6.301 27.500 ( -17.083 -4.464 -6.080) 18.674 27.500 ( 17.083 -4.464 -6.080) 18.674 28.670 ( -8.348 2.065 9.190) 12.585 28.670 ( 8.348 2.065 9.190) 12.585 30.037 ( -20.440 -15.185 -1.764) 25.524 30.037 ( 20.440 -15.185 -1.764) 25.524 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 0.000 21.653 24.255) 32.514 1.964 ( 0.000 21.594 21.579) 30.527 3.020 ( 0.000 13.271 14.171) 19.415 3.253 ( 0.000 10.645 3.477) 11.198 3.288 ( 0.000 21.993 18.428) 28.693 3.484 ( 0.000 22.171 10.927) 24.718 3.786 ( 0.000 -7.340 1.988) 7.605 3.886 ( 0.000 -10.184 1.814) 10.344 3.984 ( 0.000 12.011 -7.635) 14.233 4.192 ( 0.000 -1.510 1.907) 2.432 4.291 ( 0.000 -7.316 -9.810) 12.238 4.305 ( 0.000 -4.166 2.078) 4.656 4.621 ( 0.000 0.039 4.062) 4.063 4.713 ( 0.000 2.928 -12.124) 12.473 5.000 ( 0.000 -4.210 -5.295) 6.765 5.078 ( 0.000 -2.236 -6.066) 6.465 5.274 ( 0.000 -3.865 0.627) 3.916 5.336 ( 0.000 9.689 -2.968) 10.133 5.470 ( 0.000 8.624 -6.497) 10.797 5.503 ( 0.000 -2.318 -0.138) 2.322 5.633 ( 0.000 -6.676 2.361) 7.081 5.733 ( 0.000 8.488 2.174) 8.762 5.928 ( 0.000 -0.353 -0.422) 0.550 6.070 ( 0.000 -1.252 -4.356) 4.532 6.164 ( 0.000 12.777 -5.969) 14.103 6.273 ( 0.000 -9.872 5.105) 11.114 6.586 ( 0.000 1.361 -9.538) 9.635 6.761 ( 0.000 4.429 -4.504) 6.317 6.801 ( 0.000 13.323 -4.973) 14.221 6.928 ( 0.000 10.346 -2.326) 10.604 7.191 ( 0.000 -0.066 -3.693) 3.694 7.463 ( 0.000 -1.942 -1.932) 2.739 7.711 ( 0.000 5.799 -0.636) 5.834 7.758 ( 0.000 -3.225 -2.650) 4.174 7.882 ( 0.000 0.742 -6.485) 6.527 8.011 ( 0.000 -2.378 -7.251) 7.631 8.123 ( 0.000 7.383 0.883) 7.436 8.246 ( 0.000 -5.382 -5.886) 7.976 8.408 ( 0.000 -12.829 -2.347) 13.042 8.721 ( 0.000 -0.264 -9.349) 9.353 8.845 ( 0.000 -6.652 -0.486) 6.670 8.927 ( 0.000 -3.521 4.397) 5.633 8.986 ( 0.000 -8.237 -4.112) 9.206 9.149 ( 0.000 -6.648 1.572) 6.831 9.490 ( 0.000 0.492 2.626) 2.671 9.577 ( 0.000 -1.704 -3.471) 3.867 9.806 ( 0.000 -5.019 0.248) 5.025 9.952 ( 0.000 -11.057 -1.374) 11.142 11.747 ( 0.000 2.731 -1.763) 3.250 11.777 ( 0.000 11.784 -1.159) 11.841 11.945 ( 0.000 3.419 -1.115) 3.597 12.078 ( 0.000 3.631 1.491) 3.925 12.600 ( 0.000 4.254 14.850) 15.447 12.761 ( 0.000 2.811 10.047) 10.433 13.169 ( 0.000 -7.692 8.073) 11.150 13.240 ( 0.000 -9.189 5.848) 10.892 13.550 ( 0.000 8.924 1.991) 9.143 14.329 ( 0.000 8.610 -12.423) 15.114 14.708 ( 0.000 -0.297 -1.796) 1.821 14.882 ( 0.000 1.148 -1.255) 1.701 15.115 ( 0.000 3.445 -0.241) 3.454 15.153 ( 0.000 -0.208 -6.763) 6.766 15.288 ( 0.000 1.041 -0.647) 1.226 15.578 ( 0.000 -4.359 -5.255) 6.827 16.581 ( 0.000 6.379 -1.445) 6.541 17.106 ( 0.000 -9.749 8.175) 12.723 17.247 ( 0.000 -7.347 -7.063) 10.192 17.759 ( 0.000 -14.464 -4.721) 15.215 23.873 ( 0.000 7.418 0.726) 7.454 23.916 ( 0.000 2.331 -1.887) 2.999 24.124 ( 0.000 11.127 -1.126) 11.184 24.380 ( 0.000 1.510 -1.097) 1.866 24.415 ( 0.000 0.782 -5.298) 5.356 24.616 ( 0.000 -2.244 -3.081) 3.812 24.730 ( 0.000 9.860 -2.603) 10.198 24.778 ( 0.000 23.428 -21.449) 31.763 26.450 ( 0.000 1.230 -1.274) 1.771 26.464 ( 0.000 -0.724 -0.556) 0.913 27.152 ( 0.000 3.297 6.956) 7.697 27.941 ( 0.000 -5.750 -1.114) 5.857 28.521 ( 0.000 -2.560 9.891) 10.217 28.590 ( 0.000 -14.086 12.672) 18.948 29.107 ( 0.000 4.157 12.403) 13.081 30.102 ( 0.000 -21.754 3.356) 22.011 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 14.483 18.684 22.399) 32.567 2.190 ( 15.699 19.000 20.094) 31.800 2.898 ( -11.393 12.116 12.409) 20.750 2.990 ( -17.782 15.241 10.918) 25.840 3.419 ( 9.534 14.588 10.505) 20.349 3.576 ( 3.288 8.517 5.805) 10.819 3.754 ( 1.210 2.138 -0.820) 2.590 3.883 ( -3.914 8.863 -3.650) 10.354 3.960 ( 1.037 -8.356 -4.852) 9.718 4.139 ( -0.291 -3.072 9.463) 9.953 4.330 ( 2.926 -2.966 -5.426) 6.841 4.441 ( 5.766 -0.008 -1.482) 5.953 4.737 ( 1.496 -2.444 -10.307) 10.697 4.756 ( 8.616 1.126 1.916) 8.898 4.904 ( -4.943 1.932 -4.847) 7.187 5.152 ( 2.944 -5.482 -2.807) 6.826 5.208 ( -4.444 6.669 -2.884) 8.518 5.280 ( -1.376 1.574 0.224) 2.103 5.431 ( -5.931 2.668 -1.982) 6.799 5.593 ( 4.153 3.597 -6.393) 8.429 5.599 ( -0.118 -0.666 5.735) 5.774 5.751 ( -0.700 2.146 -1.312) 2.611 5.843 ( -2.040 6.898 -0.908) 7.250 6.092 ( -5.226 8.926 -4.148) 11.144 6.165 ( 4.434 0.285 -1.963) 4.857 6.290 ( 2.789 -5.418 -0.109) 6.095 6.539 ( -4.011 -0.198 -7.826) 8.796 6.626 ( -10.638 7.729 -0.704) 13.168 6.780 ( 2.670 6.691 -3.885) 8.185 6.953 ( 0.383 8.910 -6.951) 11.307 7.301 ( 6.243 0.272 -1.157) 6.355 7.458 ( -0.107 -3.395 -2.893) 4.462 7.663 ( -2.437 0.408 -5.058) 5.629 7.741 ( -1.039 -1.299 -3.437) 3.819 7.850 ( -0.170 1.085 0.901) 1.420 8.025 ( -4.260 2.886 1.864) 5.473 8.057 ( -1.576 0.830 -2.181) 2.816 8.218 ( -11.868 -9.123 -3.550) 15.384 8.386 ( 8.719 -3.877 -9.920) 13.765 8.615 ( -2.560 -4.444 0.977) 5.221 8.866 ( -3.462 -5.330 5.126) 8.165 8.925 ( -3.746 -3.995 0.486) 5.498 9.130 ( 10.323 -1.385 -5.517) 11.786 9.189 ( 4.204 -6.625 0.384) 7.856 9.460 ( -0.139 -1.882 -2.048) 2.785 9.565 ( -1.933 0.117 -2.919) 3.503 9.856 ( 5.186 -7.608 -4.015) 10.045 10.038 ( 3.194 -14.040 -7.849) 16.399 11.784 ( 2.434 8.724 -1.287) 9.148 11.824 ( 3.768 6.940 -1.025) 7.963 11.924 ( -1.311 3.971 -0.535) 4.215 12.047 ( -2.681 3.239 1.577) 4.491 12.625 ( 2.245 2.571 13.825) 14.240 12.748 ( -1.491 -0.480 10.711) 10.825 13.216 ( 3.269 -7.899 7.631) 11.459 13.256 ( 1.118 -9.362 6.251) 11.312 13.648 ( 9.112 12.075 1.271) 15.181 14.251 ( -8.711 13.976 -10.119) 19.329 14.682 ( -0.355 -5.341 0.109) 5.354 14.842 ( -3.845 -0.628 -0.681) 3.955 15.116 ( 0.486 2.484 -2.685) 3.690 15.177 ( 1.400 1.789 -3.267) 3.979 15.221 ( -2.569 1.236 -2.697) 3.925 15.494 ( -7.011 -3.431 -5.359) 9.468 16.625 ( 3.703 5.886 -0.622) 6.981 16.908 ( -9.290 -0.416 3.448) 9.918 17.457 ( 10.060 -14.428 -4.189) 18.081 17.730 ( -2.654 -14.950 -4.741) 15.907 23.878 ( 0.511 6.877 0.366) 6.906 23.911 ( -0.482 3.005 -1.512) 3.399 24.124 ( 0.595 10.611 -2.220) 10.857 24.333 ( -6.923 5.690 -7.576) 11.734 24.424 ( 3.470 3.517 -0.920) 5.025 24.596 ( -2.391 7.362 -2.774) 8.223 24.674 ( -3.058 4.712 -4.290) 7.068 24.717 ( -2.755 10.873 -6.147) 12.791 26.475 ( 4.431 2.600 -0.948) 5.224 26.617 ( 5.792 2.711 2.372) 6.821 27.139 ( 2.785 -2.308 -1.672) 3.984 27.745 ( -15.684 -9.112 -1.684) 18.217 28.503 ( 8.460 1.169 11.434) 14.272 28.850 ( 2.544 0.854 7.176) 7.661 29.241 ( 16.495 -11.725 10.523) 22.810 29.993 ( -9.625 -21.225 3.414) 23.554 ======================= Grid point 102 (39/90) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -12.150 14.990 17.417) 25.994 2.475 ( 12.150 14.990 17.417) 25.994 2.610 ( -7.978 16.071 16.932) 24.670 2.610 ( 7.978 16.071 16.932) 24.670 3.583 ( -3.333 1.234 -0.391) 3.576 3.583 ( 3.333 1.234 -0.391) 3.576 3.781 ( -3.445 3.997 -6.487) 8.362 3.781 ( 3.445 3.997 -6.487) 8.362 4.122 ( -7.804 -0.697 5.724) 9.703 4.122 ( 7.804 -0.697 5.724) 9.703 4.391 ( -5.130 1.345 -1.599) 5.539 4.391 ( 5.130 1.345 -1.599) 5.539 4.814 ( -4.762 -2.111 -1.954) 5.563 4.814 ( 4.762 -2.111 -1.954) 5.563 4.997 ( -11.822 9.313 -1.323) 15.107 4.997 ( 11.822 9.313 -1.323) 15.107 5.207 ( -4.202 3.137 -1.535) 5.464 5.207 ( 4.202 3.137 -1.535) 5.464 5.482 ( -7.898 -6.067 2.775) 10.339 5.482 ( 7.898 -6.067 2.775) 10.339 5.687 ( -3.936 4.179 -4.638) 7.380 5.687 ( 3.936 4.179 -4.638) 7.380 5.933 ( -7.421 10.573 -3.666) 13.427 5.933 ( 7.421 10.573 -3.666) 13.427 6.313 ( -6.163 -0.115 -1.081) 6.258 6.313 ( 6.163 -0.115 -1.081) 6.258 6.458 ( -2.057 -0.073 -5.875) 6.225 6.458 ( 2.057 -0.073 -5.875) 6.225 6.887 ( -5.512 8.151 -2.690) 10.200 6.887 ( 5.512 8.151 -2.690) 10.200 7.428 ( -3.992 -3.751 -2.816) 6.159 7.428 ( 3.992 -3.751 -2.816) 6.159 7.674 ( -3.426 -1.803 -4.401) 5.861 7.674 ( 3.426 -1.803 -4.401) 5.861 7.911 ( -4.997 4.274 2.227) 6.942 7.911 ( 4.997 4.274 2.227) 6.942 8.042 ( -2.415 -5.249 -0.221) 5.782 8.042 ( 2.415 -5.249 -0.221) 5.782 8.546 ( -4.825 -5.381 -4.424) 8.474 8.546 ( 4.825 -5.381 -4.424) 8.474 8.849 ( -2.347 -1.175 3.257) 4.183 8.849 ( 2.347 -1.175 3.257) 4.183 9.245 ( -1.470 -2.867 -0.515) 3.262 9.245 ( 1.470 -2.867 -0.515) 3.262 9.501 ( -3.167 -2.246 -4.253) 5.759 9.501 ( 3.167 -2.246 -4.253) 5.759 10.003 ( -5.819 -12.736 -10.868) 17.725 10.003 ( 5.819 -12.736 -10.868) 17.725 11.840 ( -2.255 9.858 -1.272) 10.192 11.840 ( 2.255 9.858 -1.272) 10.192 11.964 ( -4.344 2.258 1.212) 5.044 11.964 ( 4.344 2.258 1.212) 5.044 12.691 ( -3.251 -0.737 12.151) 12.600 12.691 ( 3.251 -0.737 12.151) 12.600 13.266 ( -0.709 -9.070 6.764) 11.337 13.266 ( 0.709 -9.070 6.764) 11.337 13.945 ( -15.908 15.528 -2.084) 22.327 13.945 ( 15.908 15.528 -2.084) 22.327 14.737 ( -4.524 -4.888 -0.346) 6.669 14.737 ( 4.524 -4.888 -0.346) 6.669 15.142 ( -1.834 2.883 -2.774) 4.401 15.142 ( 1.834 2.883 -2.774) 4.401 15.313 ( -7.691 -0.993 -5.183) 9.328 15.313 ( 7.691 -0.993 -5.183) 9.328 16.737 ( -6.217 4.284 1.240) 7.651 16.737 ( 6.217 4.284 1.240) 7.651 17.635 ( -5.925 -15.718 -4.719) 17.448 17.635 ( 5.925 -15.718 -4.719) 17.448 23.895 ( -0.870 5.047 -0.574) 5.153 23.895 ( 0.870 5.047 -0.574) 5.153 24.182 ( -5.007 10.434 -4.954) 12.589 24.182 ( 5.007 10.434 -4.954) 12.589 24.514 ( -4.198 6.851 -0.643) 8.060 24.514 ( 4.198 6.851 -0.643) 8.060 24.666 ( -1.473 3.118 -2.728) 4.397 24.666 ( 1.473 3.118 -2.728) 4.397 26.600 ( -5.321 5.138 2.774) 7.899 26.600 ( 5.321 5.138 2.774) 7.899 27.372 ( -15.775 -8.479 -5.613) 18.769 27.372 ( 15.775 -8.479 -5.613) 18.769 28.734 ( -9.618 4.491 9.569) 14.291 28.734 ( 9.618 4.491 9.569) 14.291 29.677 ( -18.221 -19.773 4.601) 27.279 29.677 ( 18.221 -19.773 4.601) 27.279 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 0.000 23.959 16.964) 29.357 2.412 ( 0.000 23.321 14.004) 27.202 3.239 ( 0.000 1.779 6.524) 6.763 3.278 ( 0.000 -11.854 6.159) 13.359 3.389 ( 0.000 -3.259 8.018) 8.656 3.702 ( 0.000 8.514 3.029) 9.037 3.769 ( 0.000 1.551 4.408) 4.672 3.978 ( 0.000 -16.588 8.595) 18.683 4.030 ( 0.000 22.761 9.688) 24.737 4.240 ( 0.000 2.209 8.133) 8.428 4.281 ( 0.000 13.252 -4.221) 13.909 4.324 ( 0.000 2.673 -12.753) 13.030 4.601 ( 0.000 -1.733 5.294) 5.570 4.737 ( 0.000 -1.256 -10.376) 10.451 4.928 ( 0.000 -2.538 3.078) 3.989 5.012 ( 0.000 -4.143 -1.601) 4.442 5.250 ( 0.000 1.968 1.735) 2.624 5.367 ( 0.000 -3.741 -3.530) 5.144 5.453 ( 0.000 -7.764 -0.448) 7.777 5.539 ( 0.000 1.540 1.563) 2.194 5.654 ( 0.000 9.063 -7.879) 12.009 5.855 ( 0.000 2.499 -4.459) 5.112 5.950 ( 0.000 -1.731 1.730) 2.448 6.070 ( 0.000 -1.039 -7.143) 7.218 6.141 ( 0.000 1.892 0.039) 1.893 6.317 ( 0.000 0.509 -8.383) 8.398 6.672 ( 0.000 9.445 -6.785) 11.629 6.895 ( 0.000 9.568 -11.740) 15.145 7.042 ( 0.000 0.024 -3.277) 3.277 7.074 ( 0.000 13.533 -4.706) 14.328 7.194 ( 0.000 0.066 -4.934) 4.934 7.408 ( 0.000 -3.822 -3.483) 5.171 7.700 ( 0.000 -2.317 -2.450) 3.372 7.830 ( 0.000 5.787 -4.024) 7.049 7.858 ( 0.000 -4.769 -9.095) 10.270 7.996 ( 0.000 1.979 -4.525) 4.939 8.136 ( 0.000 -6.103 -5.097) 7.951 8.164 ( 0.000 -5.333 1.140) 5.453 8.343 ( 0.000 10.115 -2.004) 10.312 8.688 ( 0.000 -3.769 -4.312) 5.727 8.719 ( 0.000 -4.898 2.028) 5.301 8.833 ( 0.000 -7.811 -3.177) 8.432 8.897 ( 0.000 0.166 2.121) 2.127 9.023 ( 0.000 -5.357 1.996) 5.716 9.476 ( 0.000 -1.877 7.000) 7.247 9.524 ( 0.000 -4.885 -2.168) 5.345 9.684 ( 0.000 -4.407 1.114) 4.545 9.761 ( 0.000 -7.738 -3.147) 8.353 11.813 ( 0.000 3.701 -1.800) 4.116 11.897 ( 0.000 0.824 -0.442) 0.935 12.080 ( 0.000 9.638 -3.070) 10.115 12.168 ( 0.000 4.854 -0.399) 4.871 12.686 ( 0.000 4.447 14.017) 14.706 12.794 ( 0.000 0.286 11.320) 11.323 13.011 ( 0.000 -7.657 9.041) 11.848 13.042 ( 0.000 -9.834 8.074) 12.724 13.773 ( 0.000 13.178 0.626) 13.192 14.280 ( 0.000 -9.846 -3.820) 10.561 14.804 ( 0.000 6.542 -5.790) 8.737 14.901 ( 0.000 0.552 -1.026) 1.165 15.151 ( 0.000 0.022 -6.659) 6.659 15.155 ( 0.000 0.621 -2.826) 2.894 15.328 ( 0.000 3.197 0.028) 3.197 15.489 ( 0.000 -4.555 -2.959) 5.432 16.724 ( 0.000 8.127 -2.591) 8.530 17.053 ( 0.000 3.650 1.555) 3.967 17.082 ( 0.000 -9.258 -6.362) 11.233 17.469 ( 0.000 -14.592 -3.899) 15.104 23.991 ( 0.000 5.029 -2.002) 5.413 24.023 ( 0.000 7.217 -0.177) 7.219 24.288 ( 0.000 4.107 0.818) 4.187 24.309 ( 0.000 -4.928 0.694) 4.977 24.469 ( 0.000 2.552 -2.001) 3.243 24.529 ( 0.000 -4.001 -2.576) 4.758 24.956 ( 0.000 10.920 -6.978) 12.959 25.095 ( 0.000 8.016 -21.168) 22.635 26.463 ( 0.000 0.591 -2.465) 2.535 26.475 ( 0.000 0.943 -3.612) 3.733 27.260 ( 0.000 8.146 7.444) 11.035 27.746 ( 0.000 -13.492 1.941) 13.631 28.419 ( 0.000 -3.433 14.543) 14.943 28.464 ( 0.000 -3.054 10.802) 11.226 29.224 ( 0.000 7.988 10.469) 13.169 29.716 ( 0.000 -17.429 6.272) 18.523 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 10.345 21.328 16.827) 29.069 2.597 ( 12.823 21.723 12.896) 28.331 3.157 ( -8.031 10.055 7.994) 15.149 3.236 ( -10.347 9.273 10.770) 17.579 3.343 ( -0.732 -13.241 4.796) 14.101 3.535 ( -1.787 -9.937 5.576) 11.534 3.688 ( -9.838 -5.489 1.055) 11.315 3.884 ( -8.173 -14.600 8.147) 18.610 4.089 ( 5.982 18.745 5.504) 20.431 4.251 ( 1.623 12.525 -3.648) 13.146 4.390 ( 9.027 5.128 -4.838) 11.454 4.509 ( 10.668 4.447 -4.321) 12.339 4.679 ( -3.995 0.225 -5.247) 6.599 4.752 ( 5.694 -1.759 4.453) 7.439 4.931 ( 3.362 -2.460 -1.538) 4.441 5.011 ( -0.002 -7.207 -2.203) 7.536 5.239 ( 1.464 3.094 0.791) 3.513 5.412 ( -2.030 3.183 -4.055) 5.541 5.450 ( 2.757 -0.051 -1.468) 3.124 5.552 ( -0.327 2.533 1.317) 2.874 5.693 ( 2.250 4.527 -6.861) 8.522 5.840 ( -1.340 4.249 -4.313) 6.201 5.940 ( 1.118 -2.199 3.603) 4.367 6.078 ( 0.355 -1.237 -4.559) 4.737 6.193 ( 4.767 -0.915 -0.909) 4.939 6.312 ( 0.272 3.228 -7.318) 8.003 6.574 ( -8.153 6.402 -5.374) 11.676 6.763 ( -13.327 4.628 -0.348) 14.112 6.962 ( 2.191 11.279 -10.259) 15.404 7.108 ( -0.383 6.908 -6.591) 9.556 7.278 ( 3.922 -2.608 -2.556) 5.359 7.385 ( -1.839 -4.447 -4.432) 6.543 7.631 ( -2.939 -1.599 -5.228) 6.207 7.759 ( -5.260 2.012 -3.048) 6.404 7.810 ( -1.865 -6.626 -2.290) 7.255 7.997 ( -9.468 -8.517 0.704) 12.754 8.042 ( 2.635 5.259 -1.385) 6.043 8.256 ( -1.837 8.611 -0.597) 8.825 8.314 ( 4.279 -2.594 -6.677) 8.344 8.538 ( -4.783 -3.952 1.584) 6.403 8.802 ( 1.867 -0.670 2.499) 3.190 8.881 ( 0.462 1.071 0.316) 1.208 9.018 ( 9.751 -8.292 -5.449) 13.911 9.115 ( 5.644 -3.433 -2.098) 6.931 9.443 ( -0.971 -0.224 0.793) 1.274 9.553 ( -0.017 -2.540 -3.042) 3.963 9.665 ( 0.332 -8.506 0.134) 8.514 9.783 ( 0.303 -11.065 -3.767) 11.693 11.879 ( 5.274 3.662 -1.079) 6.510 11.933 ( 2.920 1.924 -0.522) 3.536 12.061 ( -1.786 8.733 -2.381) 9.226 12.128 ( -3.444 4.401 0.063) 5.589 12.688 ( 0.379 4.160 12.665) 13.336 12.760 ( -2.218 1.512 10.939) 11.264 13.033 ( 0.958 -10.323 8.420) 13.356 13.052 ( 0.831 -10.392 7.995) 13.137 13.909 ( 11.580 13.841 0.687) 18.059 14.350 ( 5.057 -4.921 -3.978) 8.100 14.669 ( -10.625 4.865 -2.457) 11.941 14.823 ( -7.119 -1.573 -0.275) 7.296 15.151 ( 0.893 1.283 -4.773) 5.022 15.188 ( 2.696 -0.418 -4.542) 5.298 15.273 ( -3.686 3.557 -1.225) 5.266 15.420 ( -5.535 -3.896 -3.379) 7.565 16.767 ( 3.527 8.520 -2.188) 9.477 16.967 ( -4.318 6.264 -0.990) 7.672 17.197 ( 6.345 -12.029 -4.010) 14.179 17.434 ( -3.082 -14.772 -3.938) 15.595 23.994 ( 0.310 5.375 -1.603) 5.618 24.019 ( -0.399 7.073 -0.322) 7.092 24.235 ( -1.798 -0.405 -1.241) 2.222 24.299 ( -2.764 -4.177 -0.594) 5.044 24.517 ( 5.251 4.816 -1.983) 7.397 24.602 ( 5.142 -0.494 -1.378) 5.347 24.880 ( -6.388 9.046 -5.336) 12.293 24.936 ( -10.843 8.345 -12.559) 18.572 26.544 ( 7.741 4.354 -2.938) 9.354 26.664 ( 11.962 0.956 -2.712) 12.303 27.135 ( -7.718 3.144 2.431) 8.681 27.526 ( -15.477 -12.716 0.524) 20.038 28.549 ( 12.907 3.669 11.682) 17.791 28.788 ( 18.182 -7.026 9.733) 21.787 29.159 ( -4.549 3.792 11.270) 12.731 29.611 ( -9.311 -17.407 6.643) 20.828 ======================= Grid point 107 (42/90) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( -13.996 17.381 14.255) 26.480 2.796 ( 13.996 17.381 14.255) 26.480 2.943 ( -10.119 17.969 12.127) 23.924 2.943 ( 10.119 17.969 12.127) 23.924 3.433 ( -9.142 -12.801 3.318) 16.076 3.433 ( 9.142 -12.801 3.318) 16.076 3.681 ( -9.367 -15.325 3.932) 18.387 3.681 ( 9.367 -15.325 3.932) 18.387 4.230 ( -4.852 12.762 -2.519) 13.884 4.230 ( 4.852 12.762 -2.519) 13.884 4.545 ( -5.133 8.533 -7.154) 12.261 4.545 ( 5.133 8.533 -7.154) 12.261 4.737 ( -6.633 -4.348 0.623) 7.955 4.737 ( 6.633 -4.348 0.623) 7.955 5.019 ( -1.583 -7.614 -1.032) 7.845 5.019 ( 1.583 -7.614 -1.032) 7.845 5.356 ( -5.492 11.052 -2.212) 12.538 5.356 ( 5.492 11.052 -2.212) 12.538 5.471 ( -2.980 4.177 0.166) 5.134 5.471 ( 2.980 4.177 0.166) 5.134 5.763 ( -4.554 4.027 -2.703) 6.652 5.763 ( 4.554 4.027 -2.703) 6.652 6.041 ( -4.542 -2.179 -3.202) 5.969 6.041 ( 4.542 -2.179 -3.202) 5.969 6.327 ( -5.130 3.694 -1.336) 6.461 6.327 ( 5.130 3.694 -1.336) 6.461 6.477 ( -8.543 0.704 -3.067) 9.104 6.477 ( 8.543 0.704 -3.067) 9.104 7.050 ( -4.488 8.660 -4.946) 10.936 7.050 ( 4.488 8.660 -4.946) 10.936 7.340 ( -2.122 -5.206 -5.132) 7.612 7.340 ( 2.122 -5.206 -5.132) 7.612 7.641 ( -3.738 -0.632 -4.074) 5.565 7.641 ( 3.738 -0.632 -4.074) 5.565 7.829 ( -4.132 -8.346 1.550) 9.441 7.829 ( 4.132 -8.346 1.550) 9.441 8.136 ( -5.417 10.007 0.321) 11.383 8.136 ( 5.417 10.007 0.321) 11.383 8.440 ( -4.712 -5.495 -1.619) 7.417 8.440 ( 4.712 -5.495 -1.619) 7.417 8.862 ( -2.443 3.418 0.462) 4.226 8.862 ( 2.443 3.418 0.462) 4.226 9.161 ( -2.758 -6.314 -4.300) 8.122 9.161 ( 2.758 -6.314 -4.300) 8.122 9.484 ( -4.328 0.715 -3.092) 5.367 9.484 ( 4.328 0.715 -3.092) 5.367 9.736 ( -4.093 -13.204 -4.255) 14.464 9.736 ( 4.093 -13.204 -4.255) 14.464 11.998 ( -3.925 5.938 -1.091) 7.201 11.998 ( 3.925 5.938 -1.091) 7.201 12.023 ( -5.315 3.254 -0.020) 6.233 12.023 ( 5.315 3.254 -0.020) 6.233 12.713 ( -1.793 3.369 11.075) 11.713 12.713 ( 1.793 3.369 11.075) 11.713 13.053 ( -0.763 -11.919 7.748) 14.236 13.053 ( 0.763 -11.919 7.748) 14.236 14.239 ( -15.693 13.728 -1.475) 20.902 14.239 ( 15.693 13.728 -1.475) 20.902 14.626 ( -8.521 -6.605 0.194) 10.783 14.626 ( 8.521 -6.605 0.194) 10.783 15.196 ( -2.935 2.528 -3.167) 5.003 15.196 ( 2.935 2.528 -3.167) 5.003 15.284 ( -5.699 -1.909 -4.348) 7.418 15.284 ( 5.699 -1.909 -4.348) 7.418 16.864 ( -4.758 8.684 -1.418) 10.003 16.864 ( 4.758 8.684 -1.418) 10.003 17.335 ( -5.558 -14.649 -4.044) 16.181 17.335 ( 5.558 -14.649 -4.044) 16.181 24.006 ( -0.695 6.337 -0.808) 6.426 24.006 ( 0.695 6.337 -0.808) 6.426 24.236 ( -1.905 -3.033 -2.279) 4.245 24.236 ( 1.905 -3.033 -2.279) 4.245 24.679 ( -8.642 7.961 -3.186) 12.175 24.679 ( 8.642 7.961 -3.186) 12.175 24.743 ( -6.613 3.631 -3.110) 8.160 24.743 ( 6.613 3.631 -3.110) 8.160 26.740 ( -7.298 9.187 0.602) 11.749 26.740 ( 7.298 9.187 0.602) 11.749 27.176 ( -13.350 -11.230 -4.258) 17.957 27.176 ( 13.350 -11.230 -4.258) 17.957 28.850 ( -11.433 7.587 9.999) 16.978 28.850 ( 11.433 7.587 9.999) 16.978 29.314 ( -16.082 -16.646 8.669) 24.716 29.314 ( 16.082 -16.646 8.669) 24.716 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 0.000 -2.188 10.663) 10.885 2.762 ( 0.000 2.188 10.663) 10.885 3.002 ( 0.000 -1.161 7.746) 7.833 3.002 ( 0.000 1.161 7.746) 7.833 3.630 ( 0.000 -16.641 9.976) 19.402 3.630 ( 0.000 16.641 9.976) 19.402 3.812 ( 0.000 -2.008 1.157) 2.317 3.812 ( 0.000 2.008 1.157) 2.317 4.284 ( 0.000 -1.562 8.598) 8.739 4.284 ( 0.000 1.562 8.598) 8.739 4.374 ( 0.000 -1.846 -3.290) 3.772 4.374 ( 0.000 1.846 -3.290) 3.772 4.651 ( 0.000 -6.576 -9.036) 11.176 4.651 ( 0.000 6.576 -9.036) 11.176 4.933 ( 0.000 -3.085 5.302) 6.135 4.933 ( 0.000 3.085 5.302) 6.135 5.317 ( 0.000 -1.911 0.261) 1.929 5.317 ( 0.000 1.911 0.261) 1.929 5.427 ( 0.000 -7.498 5.186) 9.117 5.427 ( 0.000 7.498 5.186) 9.117 5.810 ( 0.000 -5.999 -8.368) 10.296 5.810 ( 0.000 5.999 -8.368) 10.296 6.000 ( 0.000 -5.436 -5.748) 7.911 6.000 ( 0.000 5.436 -5.748) 7.911 6.242 ( 0.000 -5.831 -5.883) 8.283 6.242 ( 0.000 5.831 -5.883) 8.283 6.892 ( 0.000 -10.318 -5.344) 11.620 6.892 ( 0.000 10.318 -5.344) 11.620 7.132 ( 0.000 -7.818 -12.167) 14.462 7.132 ( 0.000 7.818 -12.167) 14.462 7.294 ( 0.000 -8.292 -2.894) 8.783 7.294 ( 0.000 8.292 -2.894) 8.783 7.705 ( 0.000 -4.599 -5.046) 6.827 7.705 ( 0.000 4.599 -5.046) 6.827 7.994 ( 0.000 -8.306 -3.766) 9.120 7.994 ( 0.000 8.306 -3.766) 9.120 8.081 ( 0.000 -4.879 -3.270) 5.873 8.081 ( 0.000 4.879 -3.270) 5.873 8.558 ( 0.000 -9.835 -1.377) 9.931 8.558 ( 0.000 9.835 -1.377) 9.931 8.700 ( 0.000 -3.786 0.309) 3.798 8.700 ( 0.000 3.786 0.309) 3.798 8.937 ( 0.000 -3.664 1.302) 3.889 8.937 ( 0.000 3.664 1.302) 3.889 9.447 ( 0.000 -0.642 6.343) 6.376 9.447 ( 0.000 0.642 6.343) 6.376 9.668 ( 0.000 -1.934 -3.579) 4.068 9.668 ( 0.000 1.934 -3.579) 4.068 11.877 ( 0.000 -2.463 -1.199) 2.739 11.877 ( 0.000 2.463 -1.199) 2.739 12.211 ( 0.000 -2.113 -2.836) 3.537 12.211 ( 0.000 2.113 -2.836) 3.537 12.765 ( 0.000 -3.225 12.393) 12.806 12.765 ( 0.000 3.225 12.393) 12.806 12.924 ( 0.000 -0.449 9.924) 9.934 12.924 ( 0.000 0.449 9.924) 9.934 14.041 ( 0.000 -13.651 -0.893) 13.680 14.041 ( 0.000 13.651 -0.893) 13.680 14.890 ( 0.000 -2.142 -2.649) 3.407 14.890 ( 0.000 2.142 -2.649) 3.407 15.154 ( 0.000 -0.253 -5.386) 5.392 15.154 ( 0.000 0.253 -5.386) 5.392 15.403 ( 0.000 -4.232 -0.906) 4.327 15.403 ( 0.000 4.232 -0.906) 4.327 16.897 ( 0.000 -9.394 -4.783) 10.541 16.897 ( 0.000 9.394 -4.783) 10.541 17.209 ( 0.000 -11.376 -2.460) 11.639 17.209 ( 0.000 11.376 -2.460) 11.639 24.084 ( 0.000 -2.734 -2.442) 3.666 24.084 ( 0.000 2.734 -2.442) 3.666 24.273 ( 0.000 -2.583 2.870) 3.861 24.273 ( 0.000 2.583 2.870) 3.861 24.497 ( 0.000 -0.448 -2.315) 2.358 24.497 ( 0.000 0.448 -2.315) 2.358 25.117 ( 0.000 -4.588 -13.379) 14.144 25.117 ( 0.000 4.588 -13.379) 14.144 26.478 ( 0.000 -0.572 -4.172) 4.211 26.478 ( 0.000 0.572 -4.172) 4.211 27.472 ( 0.000 -13.214 5.983) 14.505 27.472 ( 0.000 13.214 5.983) 14.505 28.413 ( 0.000 -1.784 12.204) 12.334 28.413 ( 0.000 1.784 12.204) 12.334 29.424 ( 0.000 -12.509 8.474) 15.109 29.424 ( 0.000 12.509 8.474) 15.109 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 8.793 -13.693 10.820) 19.542 2.864 ( 8.793 13.693 10.820) 19.542 3.075 ( 6.534 -13.164 7.052) 16.301 3.075 ( 6.534 13.164 7.052) 16.301 3.494 ( -11.950 -6.902 6.735) 15.356 3.494 ( -11.950 6.902 6.735) 15.356 3.604 ( -13.423 -3.735 8.429) 16.284 3.604 ( -13.423 3.735 8.429) 16.284 4.376 ( 5.883 -8.240 0.291) 10.129 4.376 ( 5.883 8.240 0.291) 10.129 4.455 ( 4.869 -7.719 -2.216) 9.392 4.455 ( 4.869 7.719 -2.216) 9.392 4.742 ( 5.257 -1.997 -7.208) 9.142 4.742 ( 5.257 1.997 -7.208) 9.142 4.885 ( -2.997 -3.831 1.866) 5.210 4.885 ( -2.997 3.831 1.866) 5.210 5.362 ( 4.749 -5.587 -1.931) 7.582 5.362 ( 4.749 5.587 -1.931) 7.582 5.529 ( 5.717 -6.182 4.120) 9.374 5.529 ( 5.717 6.182 4.120) 9.374 5.781 ( -0.445 -6.041 -4.631) 7.624 5.781 ( -0.445 6.041 -4.631) 7.624 5.997 ( -1.411 -6.493 -4.195) 7.858 5.997 ( -1.411 6.493 -4.195) 7.858 6.266 ( 3.153 -5.237 -5.179) 8.012 6.266 ( 3.153 5.237 -5.179) 8.012 6.742 ( -12.236 -7.046 -3.538) 14.557 6.742 ( -12.236 7.046 -3.538) 14.557 7.158 ( 1.853 -6.509 -9.860) 11.959 7.158 ( 1.853 6.509 -9.860) 11.959 7.273 ( -1.802 -6.092 -4.052) 7.536 7.273 ( -1.802 6.092 -4.052) 7.536 7.658 ( -1.787 -5.187 -2.412) 5.994 7.658 ( -1.787 5.187 -2.412) 5.994 7.849 ( -8.990 -6.137 -1.495) 10.988 7.849 ( -8.990 6.137 -1.495) 10.988 8.187 ( 5.921 -7.409 -3.347) 10.058 8.187 ( 5.921 7.409 -3.347) 10.058 8.443 ( -5.823 -6.532 1.322) 8.850 8.443 ( -5.823 6.532 1.322) 8.850 8.857 ( 8.227 -6.451 -2.265) 10.697 8.857 ( 8.227 6.451 -2.265) 10.697 8.991 ( 3.174 -8.193 -2.599) 9.163 8.991 ( 3.174 8.193 -2.599) 9.163 9.461 ( 1.837 -3.128 3.363) 4.947 9.461 ( 1.837 3.128 3.363) 4.947 9.637 ( -2.894 -3.541 -3.219) 5.592 9.637 ( -2.894 3.541 -3.219) 5.592 11.933 ( 4.708 -1.601 -0.901) 5.054 11.933 ( 4.708 1.601 -0.901) 5.054 12.171 ( -3.582 -1.411 -1.817) 4.257 12.171 ( -3.582 1.411 -1.817) 4.257 12.780 ( 1.555 -3.015 10.975) 11.487 12.780 ( 1.555 3.015 10.975) 11.487 12.901 ( -2.111 -1.867 9.464) 9.875 12.901 ( -2.111 1.867 9.464) 9.875 14.167 ( 10.607 -12.055 -0.383) 16.061 14.167 ( 10.607 12.055 -0.383) 16.061 14.770 ( -10.405 -4.085 -1.447) 11.271 14.770 ( -10.405 4.085 -1.447) 11.271 15.173 ( 1.883 -1.018 -5.181) 5.606 15.173 ( 1.883 1.018 -5.181) 5.606 15.345 ( -4.407 -3.771 -1.816) 6.077 15.345 ( -4.407 3.771 -1.816) 6.077 16.953 ( 4.549 -10.143 -4.209) 11.887 16.953 ( 4.549 10.143 -4.209) 11.887 17.171 ( -3.315 -11.397 -2.637) 12.159 17.171 ( -3.315 11.397 -2.637) 12.159 24.093 ( 0.973 -2.754 -2.148) 3.626 24.093 ( 0.973 2.754 -2.148) 3.626 24.213 ( -3.959 -3.158 0.753) 5.120 24.213 ( -3.959 3.158 0.753) 5.120 24.586 ( 6.758 -1.893 -1.441) 7.164 24.586 ( 6.758 1.893 -1.441) 7.164 24.994 ( -9.311 -2.058 -9.022) 13.127 24.994 ( -9.311 2.058 -9.022) 13.127 26.631 ( 12.061 -3.840 -4.576) 13.459 26.631 ( 12.061 3.840 -4.576) 13.459 27.282 ( -13.745 -11.147 3.077) 17.962 27.282 ( -13.745 11.147 3.077) 17.962 28.647 ( 16.991 -6.388 11.585) 21.534 28.647 ( 16.991 6.388 11.585) 21.534 29.323 ( -8.901 -11.925 8.854) 17.316 29.323 ( -8.901 11.925 8.854) 17.316 ======================= Grid point 114 (45/90) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( -12.074 -15.155 10.423) 22.002 3.127 ( 10.191 -14.805 10.423) 20.777 3.127 ( -10.191 14.805 10.423) 20.777 3.127 ( 12.074 15.155 10.423) 22.002 3.327 ( -9.575 -18.244 6.219) 21.522 3.327 ( 9.537 -18.239 6.219) 21.501 3.327 ( -9.537 18.239 6.219) 21.501 3.327 ( 9.575 18.244 6.219) 21.522 4.485 ( -2.753 -11.395 -2.537) 11.995 4.485 ( 2.753 -11.395 -2.537) 11.994 4.485 ( -2.753 11.395 -2.537) 11.994 4.485 ( 2.753 11.395 -2.537) 11.995 4.826 ( -1.336 -10.277 -3.064) 10.807 4.826 ( 0.681 -10.261 -3.064) 10.730 4.826 ( -0.681 10.261 -3.064) 10.730 4.826 ( 1.336 10.277 -3.064) 10.807 5.508 ( -6.061 -2.848 -4.219) 7.915 5.508 ( -2.587 -0.774 -4.219) 5.009 5.508 ( 2.587 0.774 -4.219) 5.009 5.508 ( 6.061 2.848 -4.219) 7.915 5.895 ( -7.439 -9.547 0.228) 12.105 5.895 ( 6.824 -9.431 0.228) 11.643 5.895 ( -6.824 9.431 0.228) 11.643 5.895 ( 7.439 9.547 0.228) 12.105 6.434 ( -12.048 -5.018 -1.701) 13.162 6.434 ( -6.956 0.990 -1.701) 7.229 6.434 ( 6.956 -0.990 -1.701) 7.229 6.434 ( 12.048 5.018 -1.701) 13.162 7.215 ( -1.565 -7.557 -6.881) 10.340 7.215 ( 0.481 -7.521 -6.881) 10.205 7.215 ( -0.481 7.521 -6.881) 10.205 7.215 ( 1.565 7.557 -6.881) 10.340 7.685 ( -4.483 -5.399 -0.571) 7.041 7.685 ( 4.322 -5.366 -0.571) 6.914 7.685 ( -4.322 5.366 -0.571) 6.914 7.685 ( 4.483 5.399 -0.571) 7.041 8.316 ( -5.630 -7.701 0.010) 9.539 8.316 ( 5.602 -7.696 0.010) 9.519 8.316 ( -5.602 7.696 0.010) 9.519 8.316 ( 5.630 7.701 0.010) 9.539 8.996 ( -3.413 -9.406 -4.058) 10.798 8.996 ( 3.413 -9.406 -4.058) 10.798 8.996 ( -3.413 9.406 -4.058) 10.798 8.996 ( 3.413 9.406 -4.058) 10.798 9.544 ( -4.468 -5.904 -1.505) 7.556 9.544 ( 2.991 -5.666 -1.505) 6.581 9.544 ( -2.991 5.666 -1.505) 6.581 9.544 ( 4.468 5.904 -1.505) 7.556 12.060 ( -5.889 -0.283 -0.755) 5.944 12.060 ( -5.886 0.265 -0.755) 5.940 12.060 ( 5.886 -0.265 -0.755) 5.940 12.060 ( 5.889 0.283 -0.755) 5.944 12.837 ( -1.543 -9.180 9.361) 13.202 12.837 ( 0.577 -9.152 9.361) 13.105 12.837 ( -0.577 9.152 9.361) 13.105 12.837 ( 1.543 9.180 9.361) 13.202 14.469 ( -14.230 -9.473 -0.251) 17.097 14.469 ( 2.132 -6.344 -0.251) 6.698 14.469 ( -2.132 6.344 -0.251) 6.698 14.469 ( 14.230 9.473 -0.251) 17.097 15.242 ( -4.190 -2.287 -3.683) 6.029 15.242 ( 4.188 -2.286 -3.683) 6.027 15.242 ( -4.188 2.286 -3.683) 6.027 15.242 ( 4.190 2.287 -3.683) 6.029 17.071 ( -4.984 -12.190 -3.244) 13.563 17.071 ( 4.552 -12.147 -3.244) 13.372 17.071 ( -4.552 12.147 -3.244) 13.372 17.071 ( 4.984 12.190 -3.244) 13.563 24.134 ( -1.657 -6.358 -1.172) 6.675 24.134 ( 0.726 -6.315 -1.172) 6.463 24.134 ( -0.726 6.315 -1.172) 6.463 24.134 ( 1.657 6.358 -1.172) 6.675 24.772 ( -9.531 -1.236 -3.386) 10.190 24.772 ( -9.464 1.100 -3.386) 10.112 24.772 ( 9.464 -1.100 -3.386) 10.112 24.772 ( 9.531 1.236 -3.386) 10.190 26.948 ( -13.296 -11.041 -2.001) 17.398 26.948 ( 0.382 -8.817 -2.001) 9.050 26.948 ( -0.382 8.817 -2.001) 9.050 26.948 ( 13.296 11.041 -2.001) 17.398 29.037 ( -15.208 -11.424 10.033) 21.505 29.037 ( 4.821 -8.859 10.033) 14.226 29.037 ( -4.821 8.859 10.033) 14.226 29.037 ( 15.208 11.424 10.033) 21.505 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 0.000 0.000 32.886) 32.886 2.112 ( 0.000 0.000 31.203) 31.203 2.870 ( 0.000 0.000 -2.285) 2.285 3.049 ( 0.000 0.000 13.613) 13.613 3.124 ( 0.000 0.000 15.323) 15.323 3.330 ( 0.000 0.000 -10.802) 10.802 3.409 ( 0.000 0.000 26.150) 26.150 3.940 ( 0.000 0.000 -1.771) 1.771 3.987 ( 0.000 0.000 -18.627) 18.627 4.150 ( 0.000 0.000 -4.856) 4.856 4.220 ( 0.000 0.000 -7.894) 7.894 4.353 ( 0.000 0.000 -7.735) 7.735 4.433 ( 0.000 0.000 -5.966) 5.966 4.709 ( 0.000 0.000 15.123) 15.123 4.904 ( 0.000 0.000 -9.219) 9.219 5.036 ( 0.000 0.000 -4.493) 4.493 5.100 ( 0.000 0.000 1.044) 1.044 5.186 ( 0.000 0.000 -1.044) 1.044 5.485 ( 0.000 0.000 -2.150) 2.150 5.535 ( 0.000 0.000 -10.798) 10.798 5.570 ( 0.000 0.000 -5.642) 5.642 5.742 ( 0.000 0.000 2.680) 2.680 5.743 ( 0.000 0.000 12.029) 12.029 6.218 ( 0.000 0.000 -3.402) 3.402 6.256 ( 0.000 0.000 -7.381) 7.381 6.267 ( 0.000 0.000 -8.969) 8.969 6.404 ( 0.000 0.000 -9.584) 9.584 6.472 ( 0.000 0.000 18.017) 18.017 6.542 ( 0.000 0.000 7.460) 7.460 6.799 ( 0.000 0.000 4.955) 4.955 7.158 ( 0.000 0.000 1.166) 1.166 7.509 ( 0.000 0.000 -7.647) 7.647 7.514 ( 0.000 0.000 -1.676) 1.676 7.693 ( 0.000 0.000 -6.790) 6.790 7.871 ( 0.000 0.000 -2.254) 2.254 7.881 ( 0.000 0.000 -8.494) 8.494 8.030 ( 0.000 0.000 -0.457) 0.457 8.278 ( 0.000 0.000 -8.289) 8.289 8.462 ( 0.000 0.000 -8.602) 8.602 8.698 ( 0.000 0.000 -8.697) 8.697 8.915 ( 0.000 0.000 7.882) 7.882 9.097 ( 0.000 0.000 -5.437) 5.437 9.259 ( 0.000 0.000 4.095) 4.095 9.287 ( 0.000 0.000 -0.493) 0.493 9.425 ( 0.000 0.000 1.747) 1.747 9.683 ( 0.000 0.000 -4.407) 4.407 9.691 ( 0.000 0.000 -0.472) 0.472 9.997 ( 0.000 0.000 -17.254) 17.254 11.460 ( 0.000 0.000 2.827) 2.827 11.682 ( 0.000 0.000 -1.459) 1.459 11.884 ( 0.000 0.000 6.212) 6.212 12.073 ( 0.000 0.000 2.408) 2.408 12.748 ( 0.000 0.000 10.835) 10.835 12.819 ( 0.000 0.000 7.441) 7.441 13.348 ( 0.000 0.000 -0.173) 0.173 13.382 ( 0.000 0.000 -0.603) 0.603 13.622 ( 0.000 0.000 7.694) 7.694 13.854 ( 0.000 0.000 4.040) 4.040 14.818 ( 0.000 0.000 -1.725) 1.725 14.819 ( 0.000 0.000 -1.957) 1.957 15.028 ( 0.000 0.000 -5.922) 5.922 15.052 ( 0.000 0.000 3.246) 3.246 15.243 ( 0.000 0.000 -0.861) 0.861 15.566 ( 0.000 0.000 -4.408) 4.408 16.487 ( 0.000 0.000 4.938) 4.938 17.240 ( 0.000 0.000 -8.745) 8.745 17.665 ( 0.000 0.000 -0.733) 0.733 17.954 ( 0.000 0.000 -8.811) 8.811 23.603 ( 0.000 0.000 1.633) 1.633 23.739 ( 0.000 0.000 1.536) 1.536 23.756 ( 0.000 0.000 -1.877) 1.877 23.899 ( 0.000 0.000 -2.283) 2.283 24.319 ( 0.000 0.000 -0.119) 0.119 24.351 ( 0.000 0.000 -0.737) 0.737 24.567 ( 0.000 0.000 1.105) 1.105 24.698 ( 0.000 0.000 -2.461) 2.461 26.452 ( 0.000 0.000 0.809) 0.809 26.493 ( 0.000 0.000 -0.193) 0.193 27.237 ( 0.000 0.000 7.597) 7.597 27.962 ( 0.000 0.000 -5.389) 5.389 28.739 ( 0.000 0.000 8.072) 8.072 28.979 ( 0.000 0.000 -1.884) 1.884 29.359 ( 0.000 0.000 17.075) 17.075 30.530 ( 0.000 0.000 -13.122) 13.122 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 10.981 0.000 29.390) 31.374 2.334 ( 16.669 0.000 27.594) 32.238 2.742 ( -10.514 0.000 10.413) 14.798 3.010 ( -9.792 0.000 17.061) 19.671 3.090 ( 3.128 0.000 2.226) 3.839 3.274 ( -4.132 0.000 -9.473) 10.335 3.481 ( 4.769 0.000 9.080) 10.256 3.672 ( -10.662 0.000 -9.304) 14.151 4.033 ( 3.920 0.000 -18.372) 18.786 4.203 ( 3.507 0.000 7.405) 8.193 4.302 ( -6.047 0.000 -16.793) 17.849 4.453 ( 12.747 0.000 -3.269) 13.160 4.504 ( 8.240 0.000 2.845) 8.718 4.847 ( 8.062 0.000 11.213) 13.810 4.942 ( -6.634 0.000 3.227) 7.378 5.024 ( 5.811 0.000 -10.403) 11.916 5.112 ( 0.091 0.000 -0.903) 0.907 5.297 ( 5.642 0.000 -3.707) 6.751 5.433 ( -7.089 0.000 -9.023) 11.474 5.447 ( -2.370 0.000 -1.902) 3.039 5.526 ( -6.289 0.000 7.178) 9.543 5.547 ( -3.033 0.000 -6.677) 7.334 5.759 ( -3.258 0.000 14.705) 15.061 6.207 ( -6.304 0.000 1.894) 6.582 6.222 ( 0.930 0.000 -2.499) 2.666 6.272 ( 0.356 0.000 -7.743) 7.751 6.303 ( -6.964 0.000 3.340) 7.724 6.437 ( -1.064 0.000 -12.296) 12.342 6.574 ( 2.803 0.000 7.409) 7.922 6.754 ( -3.617 0.000 5.446) 6.537 7.260 ( 7.573 0.000 1.883) 7.804 7.550 ( 0.860 0.000 -6.034) 6.095 7.551 ( 2.927 0.000 -2.878) 4.105 7.675 ( -1.601 0.000 -6.365) 6.564 7.842 ( 1.078 0.000 -3.246) 3.421 7.989 ( -2.294 0.000 2.099) 3.109 8.003 ( 7.002 0.000 -5.554) 8.937 8.248 ( -3.776 0.000 -9.032) 9.789 8.395 ( -1.407 0.000 -2.303) 2.699 8.750 ( -3.983 0.000 -13.760) 14.325 8.939 ( 2.153 0.000 7.613) 7.911 9.098 ( 3.813 0.000 -3.220) 4.991 9.127 ( -5.962 0.000 4.631) 7.549 9.379 ( -3.293 0.000 -1.522) 3.628 9.427 ( 6.555 0.000 -0.915) 6.619 9.651 ( -2.837 0.000 -3.988) 4.894 9.719 ( 6.183 0.000 -4.904) 7.892 10.047 ( -0.119 0.000 -17.603) 17.603 11.484 ( 2.077 0.000 2.567) 3.302 11.632 ( -3.585 0.000 0.242) 3.593 11.929 ( 3.182 0.000 4.549) 5.552 12.054 ( -1.686 0.000 2.565) 3.069 12.808 ( 6.215 0.000 11.072) 12.697 12.971 ( 8.224 0.000 6.072) 10.223 13.353 ( 0.406 0.000 -0.226) 0.464 13.377 ( -0.449 0.000 -0.530) 0.695 13.568 ( -1.427 0.000 7.581) 7.714 13.844 ( -2.753 0.000 2.475) 3.702 14.819 ( 0.050 0.000 -1.764) 1.765 14.819 ( 0.042 0.000 -1.914) 1.914 15.003 ( -1.149 0.000 -4.432) 4.578 15.051 ( -1.673 0.000 -0.518) 1.751 15.206 ( -0.494 0.000 2.075) 2.133 15.471 ( -7.600 0.000 -2.788) 8.095 16.568 ( 6.660 0.000 4.949) 8.297 17.041 ( -13.152 0.000 -0.025) 13.152 17.766 ( 5.953 0.000 -7.308) 9.426 17.942 ( -1.425 0.000 -9.185) 9.295 23.614 ( 0.999 0.000 1.499) 1.801 23.693 ( -2.286 0.000 0.715) 2.396 23.804 ( 2.356 0.000 -1.097) 2.599 23.887 ( -1.099 0.000 -2.100) 2.370 24.322 ( 0.489 0.000 -0.381) 0.620 24.356 ( -0.076 0.000 -1.158) 1.161 24.577 ( 1.151 0.000 0.677) 1.335 24.675 ( -1.935 0.000 -2.041) 2.812 26.468 ( 4.287 0.000 2.520) 4.973 26.652 ( 6.869 0.000 2.182) 7.207 27.171 ( -0.756 0.000 1.012) 1.264 27.806 ( -14.695 0.000 -8.019) 16.740 28.712 ( 3.107 0.000 10.845) 11.281 28.962 ( -2.953 0.000 7.274) 7.851 29.654 ( 20.295 0.000 4.401) 20.766 30.419 ( -9.861 0.000 -10.510) 14.412 ======================= Grid point 137 (48/90) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( -14.764 0.000 21.493) 26.075 2.446 ( 14.764 0.000 21.493) 26.075 2.717 ( -15.814 0.000 22.698) 27.664 2.717 ( 15.814 0.000 22.698) 27.664 3.176 ( -4.320 0.000 -5.663) 7.122 3.176 ( 4.320 0.000 -5.663) 7.122 3.545 ( -2.029 0.000 -12.686) 12.847 3.545 ( 2.029 0.000 -12.686) 12.847 4.152 ( -6.442 0.000 -17.604) 18.746 4.152 ( 6.442 0.000 -17.604) 18.746 4.454 ( -14.135 0.000 12.197) 18.670 4.454 ( 14.135 0.000 12.197) 18.670 4.729 ( -10.600 0.000 3.377) 11.125 4.729 ( 10.600 0.000 3.377) 11.125 4.982 ( -7.512 0.000 -2.784) 8.011 4.982 ( 7.512 0.000 -2.784) 8.011 5.219 ( -9.434 0.000 -10.406) 14.046 5.219 ( 9.434 0.000 -10.406) 14.046 5.445 ( -5.513 0.000 -5.147) 7.542 5.445 ( 5.513 0.000 -5.147) 7.542 5.448 ( -6.787 0.000 20.137) 21.250 5.448 ( 6.787 0.000 20.137) 21.250 5.899 ( -15.630 0.000 2.500) 15.829 5.899 ( 15.630 0.000 2.500) 15.829 6.256 ( -1.587 0.000 -4.643) 4.907 6.256 ( 1.587 0.000 -4.643) 4.907 6.345 ( -5.527 0.000 -9.682) 11.149 6.345 ( 5.527 0.000 -9.682) 11.149 6.659 ( -4.401 0.000 6.339) 7.717 6.659 ( 4.401 0.000 6.339) 7.717 7.456 ( -8.407 0.000 -2.260) 8.705 7.456 ( 8.407 0.000 -2.260) 8.705 7.622 ( -2.998 0.000 -4.978) 5.811 7.622 ( 2.998 0.000 -4.978) 5.811 7.921 ( -4.488 0.000 2.667) 5.220 7.921 ( 4.488 0.000 2.667) 5.220 8.138 ( -4.732 0.000 -4.784) 6.729 8.138 ( 4.732 0.000 -4.784) 6.729 8.513 ( -11.396 0.000 -8.532) 14.235 8.513 ( 11.396 0.000 -8.532) 14.235 9.011 ( -4.255 0.000 6.582) 7.837 9.011 ( 4.255 0.000 6.582) 7.837 9.264 ( -7.392 0.000 -4.170) 8.487 9.264 ( 7.392 0.000 -4.170) 8.487 9.560 ( -5.161 0.000 -2.779) 5.861 9.560 ( 5.161 0.000 -2.779) 5.861 9.927 ( -9.531 0.000 -14.228) 17.125 9.927 ( 9.531 0.000 -14.228) 17.125 11.549 ( -3.522 0.000 1.769) 3.941 11.549 ( 3.522 0.000 1.769) 3.941 12.001 ( -2.962 0.000 3.161) 4.331 12.001 ( 2.962 0.000 3.161) 4.331 12.979 ( -6.819 0.000 9.767) 11.912 12.979 ( 6.819 0.000 9.767) 11.912 13.364 ( -0.605 0.000 -0.368) 0.708 13.364 ( 0.605 0.000 -0.368) 0.708 13.688 ( -9.870 0.000 2.646) 10.219 13.688 ( 9.870 0.000 2.646) 10.219 14.820 ( -0.008 0.000 -1.836) 1.836 14.820 ( 0.008 0.000 -1.836) 1.836 15.001 ( -1.364 0.000 -2.872) 3.180 15.001 ( 1.364 0.000 -2.872) 3.180 15.288 ( -7.145 0.000 1.028) 7.219 15.288 ( 7.145 0.000 1.028) 7.219 16.764 ( -10.754 0.000 4.502) 11.658 16.764 ( 10.754 0.000 4.502) 11.658 17.880 ( -4.056 0.000 -9.640) 10.458 17.880 ( 4.056 0.000 -9.640) 10.458 23.646 ( -1.804 0.000 1.145) 2.137 23.646 ( 1.804 0.000 1.145) 2.137 23.852 ( -1.924 0.000 -1.633) 2.524 23.852 ( 1.924 0.000 -1.633) 2.524 24.341 ( -1.021 0.000 -0.935) 1.384 24.341 ( 1.021 0.000 -0.935) 1.384 24.621 ( -2.538 0.000 -0.804) 2.662 24.621 ( 2.538 0.000 -0.804) 2.662 26.616 ( -7.339 0.000 5.665) 9.271 26.616 ( 7.339 0.000 5.665) 9.271 27.401 ( -18.283 0.000 -8.110) 20.001 27.401 ( 18.283 0.000 -8.110) 20.001 28.848 ( -6.744 0.000 10.497) 12.477 28.848 ( 6.744 0.000 10.497) 12.477 30.101 ( -17.985 0.000 -4.527) 18.546 30.101 ( 17.985 0.000 -4.527) 18.546 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 0.000 11.763 30.175) 32.386 2.188 ( 0.000 7.840 28.803) 29.851 3.015 ( 0.000 13.773 -0.337) 13.777 3.146 ( 0.000 3.510 12.168) 12.664 3.218 ( 0.000 13.753 12.260) 18.424 3.453 ( 0.000 12.168 -6.184) 13.649 3.516 ( 0.000 11.109 18.937) 21.955 3.947 ( 0.000 0.247 -3.153) 3.163 4.015 ( 0.000 0.418 -16.642) 16.647 4.077 ( 0.000 -6.923 -1.373) 7.058 4.176 ( 0.000 -1.828 -7.022) 7.256 4.416 ( 0.000 1.488 2.460) 2.875 4.451 ( 0.000 5.110 -11.767) 12.828 4.698 ( 0.000 -0.769 11.199) 11.225 4.916 ( 0.000 1.497 -5.091) 5.306 4.986 ( 0.000 -3.701 -5.556) 6.676 5.150 ( 0.000 4.661 0.041) 4.662 5.239 ( 0.000 4.897 -2.371) 5.441 5.412 ( 0.000 -5.197 0.847) 5.265 5.502 ( 0.000 -2.867 -7.956) 8.457 5.648 ( 0.000 4.518 -4.357) 6.276 5.750 ( 0.000 0.703 8.501) 8.530 5.807 ( 0.000 7.187 -2.316) 7.551 6.072 ( 0.000 -8.975 1.043) 9.035 6.174 ( 0.000 -5.682 -3.121) 6.483 6.339 ( 0.000 3.432 -9.223) 9.841 6.416 ( 0.000 -2.475 -5.050) 5.624 6.549 ( 0.000 2.225 2.463) 3.319 6.578 ( 0.000 7.275 4.876) 8.758 6.851 ( 0.000 5.599 7.532) 9.385 7.144 ( 0.000 -1.068 -0.571) 1.211 7.444 ( 0.000 -5.302 -8.138) 9.712 7.583 ( 0.000 5.950 -1.044) 6.041 7.721 ( 0.000 1.828 -5.976) 6.250 7.859 ( 0.000 -1.884 -9.168) 9.359 7.866 ( 0.000 -1.804 -1.904) 2.622 8.020 ( 0.000 1.146 -1.019) 1.534 8.238 ( 0.000 -3.960 -6.121) 7.290 8.479 ( 0.000 1.913 -9.470) 9.662 8.582 ( 0.000 -9.798 -4.776) 10.900 8.927 ( 0.000 -0.413 4.616) 4.635 9.038 ( 0.000 -5.497 -4.532) 7.124 9.156 ( 0.000 -7.944 4.600) 9.180 9.260 ( 0.000 -2.906 -0.087) 2.907 9.467 ( 0.000 2.636 0.439) 2.672 9.570 ( 0.000 -5.062 -3.949) 6.420 9.795 ( 0.000 3.588 -1.689) 3.966 9.970 ( 0.000 -3.178 -13.122) 13.502 11.551 ( 0.000 8.634 1.346) 8.738 11.689 ( 0.000 0.966 -1.126) 1.484 11.919 ( 0.000 2.684 4.412) 5.164 12.078 ( 0.000 0.656 2.087) 2.188 12.785 ( 0.000 3.462 11.218) 11.740 12.864 ( 0.000 4.123 7.930) 8.938 13.364 ( 0.000 1.176 0.126) 1.182 13.372 ( 0.000 -1.616 1.606) 2.278 13.596 ( 0.000 -1.956 7.731) 7.975 13.932 ( 0.000 7.928 -1.263) 8.028 14.773 ( 0.000 -4.094 -0.895) 4.190 14.826 ( 0.000 0.789 -2.048) 2.195 15.028 ( 0.000 0.031 -5.622) 5.622 15.085 ( 0.000 2.940 2.770) 4.039 15.246 ( 0.000 0.254 -1.247) 1.272 15.546 ( 0.000 -1.929 -4.128) 4.557 16.513 ( 0.000 2.640 4.267) 5.018 17.204 ( 0.000 -3.598 -8.372) 9.112 17.506 ( 0.000 -14.028 2.301) 14.215 17.863 ( 0.000 -8.875 -8.445) 12.251 23.768 ( 0.000 6.160 0.949) 6.232 23.833 ( 0.000 17.138 -5.012) 17.856 23.833 ( 0.000 5.022 -2.077) 5.435 23.905 ( 0.000 3.576 -1.944) 4.070 24.354 ( 0.000 3.212 0.320) 3.227 24.441 ( 0.000 7.963 -1.601) 8.122 24.559 ( 0.000 -0.382 1.256) 1.313 24.677 ( 0.000 -1.913 -2.124) 2.859 26.446 ( 0.000 -0.588 0.489) 0.765 26.482 ( 0.000 -1.082 -0.226) 1.105 27.246 ( 0.000 0.969 7.357) 7.420 27.942 ( 0.000 -2.200 -5.867) 6.266 28.733 ( 0.000 -0.627 8.336) 8.359 28.914 ( 0.000 -6.123 1.167) 6.233 29.359 ( 0.000 0.135 16.435) 16.436 30.401 ( 0.000 -12.142 -9.140) 15.198 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.25 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 11.124 11.497 27.144) 31.508 2.395 ( 15.564 6.266 25.128) 30.214 2.879 ( -10.670 11.847 8.731) 18.177 3.054 ( -9.278 5.256 16.702) 19.816 3.240 ( 2.540 13.517 2.863) 14.048 3.402 ( -3.809 12.353 -7.723) 15.059 3.546 ( 1.116 6.789 3.298) 7.630 3.660 ( -10.668 -0.930 -8.419) 13.621 4.071 ( 3.035 2.530 -16.251) 16.724 4.173 ( 7.159 -3.180 8.084) 11.257 4.329 ( -4.597 -0.342 -10.071) 11.076 4.451 ( 10.154 1.824 -2.989) 10.741 4.522 ( 8.544 2.204 -0.334) 8.830 4.780 ( 4.089 -4.548 6.798) 9.144 4.907 ( -2.302 -3.751 0.919) 4.496 5.026 ( -4.802 3.481 -1.546) 6.129 5.165 ( 9.185 1.674 -5.227) 10.700 5.331 ( 3.747 1.481 -1.278) 4.227 5.373 ( -6.808 -2.354 -2.473) 7.616 5.422 ( 2.265 0.286 -0.177) 2.290 5.623 ( -4.228 5.545 -0.820) 7.021 5.641 ( -5.099 8.104 -4.050) 10.396 5.759 ( -3.020 1.684 7.784) 8.518 6.064 ( -3.445 -9.198 5.122) 11.077 6.205 ( 2.465 -2.457 -5.642) 6.629 6.329 ( -0.787 3.698 -6.408) 7.441 6.341 ( -6.953 -0.835 2.705) 7.508 6.445 ( -4.786 2.721 -4.858) 7.343 6.637 ( 3.779 6.439 -1.490) 7.613 6.785 ( -3.368 2.291 5.442) 6.798 7.268 ( 7.664 0.545 0.437) 7.696 7.468 ( 1.414 -6.321 -6.814) 9.401 7.575 ( 0.095 1.591 -2.432) 2.907 7.679 ( -2.845 -0.057 -6.233) 6.852 7.883 ( 2.172 2.602 -0.934) 3.516 7.963 ( -1.045 -0.869 -2.188) 2.576 8.004 ( 6.000 0.106 -2.937) 6.681 8.224 ( -2.409 -2.119 -6.580) 7.320 8.354 ( -3.083 -4.218 -2.182) 5.662 8.660 ( -1.689 -6.673 -9.617) 11.827 8.956 ( -0.322 -0.411 1.981) 2.049 9.054 ( -0.634 -4.127 0.219) 4.181 9.099 ( 2.354 -2.406 1.858) 3.845 9.329 ( 3.349 -5.865 0.252) 6.759 9.415 ( -1.620 -0.101 -3.834) 4.164 9.549 ( -1.418 -4.623 -3.158) 5.775 9.805 ( 2.329 2.918 -4.561) 5.894 10.002 ( -0.356 -4.485 -13.945) 14.653 11.577 ( 2.206 8.687 1.352) 9.064 11.691 ( -0.833 5.059 -0.748) 5.181 11.930 ( 1.633 0.290 4.021) 4.350 12.055 ( -2.037 0.332 2.177) 3.000 12.829 ( 4.366 1.872 10.956) 11.941 12.949 ( 3.856 -1.468 6.984) 8.112 13.382 ( 1.797 1.367 1.195) 2.554 13.448 ( 7.421 4.100 0.667) 8.505 13.546 ( -3.793 -0.200 6.995) 7.960 13.888 ( -4.766 5.644 -1.103) 7.469 14.776 ( 0.326 -4.025 -1.028) 4.167 14.818 ( -0.767 -0.049 -1.885) 2.035 15.011 ( -0.523 0.774 -4.479) 4.576 15.086 ( -1.979 3.187 -1.147) 3.923 15.203 ( -0.480 -0.369 1.948) 2.040 15.458 ( -7.119 -1.279 -2.686) 7.716 16.584 ( 5.926 1.782 4.328) 7.552 17.008 ( -12.094 -3.076 0.369) 12.484 17.638 ( 7.251 -11.699 -5.616) 14.865 17.844 ( -1.875 -9.407 -8.610) 12.889 23.762 ( -0.303 7.456 0.767) 7.502 23.795 ( -1.876 11.491 -1.979) 11.810 23.857 ( 1.153 6.343 -2.608) 6.954 23.905 ( -0.421 4.823 -2.677) 5.532 24.363 ( 0.945 3.646 0.126) 3.769 24.433 ( -1.042 6.872 -1.355) 7.082 24.572 ( 1.314 -0.042 0.470) 1.396 24.659 ( -1.598 -1.528 -1.835) 2.873 26.469 ( 4.725 0.156 2.179) 5.206 26.647 ( 7.887 -0.453 1.492) 8.040 27.161 ( -2.523 -0.846 1.467) 3.038 27.770 ( -15.407 -3.786 -7.807) 17.683 28.715 ( 4.334 0.399 11.137) 11.957 28.971 ( -0.989 0.872 6.928) 7.053 29.587 ( 17.697 -6.298 6.554) 19.895 30.297 ( -9.249 -11.566 -7.188) 16.461 ======================= Grid point 142 (51/90) ======================= q-point: (-0.50 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -14.272 11.086 19.150) 26.331 2.575 ( 14.272 11.086 19.150) 26.331 2.770 ( -14.982 5.817 21.134) 26.551 2.770 ( 14.982 5.817 21.134) 26.551 3.313 ( -3.819 12.878 -4.483) 14.161 3.313 ( 3.819 12.878 -4.483) 14.161 3.545 ( -0.572 0.590 -12.172) 12.199 3.545 ( 0.572 0.590 -12.172) 12.199 4.173 ( -6.540 1.320 -12.660) 14.311 4.173 ( 6.540 1.320 -12.660) 14.311 4.453 ( -12.438 -1.357 8.692) 15.234 4.453 ( 12.438 -1.357 8.692) 15.234 4.731 ( -8.258 0.001 -0.602) 8.280 4.731 ( 8.258 0.001 -0.602) 8.280 4.917 ( -6.394 -2.458 -1.944) 7.121 4.917 ( 6.394 -2.458 -1.944) 7.121 5.250 ( -2.981 2.233 0.399) 3.746 5.250 ( 2.981 2.233 0.399) 3.746 5.461 ( -4.183 2.849 3.774) 6.313 5.461 ( 4.183 2.849 3.774) 6.313 5.568 ( -1.904 8.460 -0.403) 8.681 5.568 ( 1.904 8.460 -0.403) 8.681 5.843 ( -12.672 -4.376 5.000) 14.309 5.843 ( 12.672 -4.376 5.000) 14.309 6.252 ( -1.619 -0.636 -4.787) 5.093 6.252 ( 1.619 -0.636 -4.787) 5.093 6.353 ( -3.087 1.287 -6.101) 6.958 6.353 ( 3.087 1.287 -6.101) 6.958 6.714 ( -3.183 4.741 2.002) 6.051 6.714 ( 3.183 4.741 2.002) 6.051 7.432 ( -5.652 -2.907 -3.396) 7.206 7.432 ( 5.652 -2.907 -3.396) 7.206 7.609 ( -2.859 -0.890 -4.871) 5.718 7.609 ( 2.859 -0.890 -4.871) 5.718 7.925 ( -1.730 0.933 2.778) 3.403 7.925 ( 1.730 0.933 2.778) 3.403 8.127 ( -4.325 -1.474 -1.945) 4.966 8.127 ( 4.325 -1.474 -1.945) 4.966 8.472 ( -11.043 -3.650 -9.229) 14.847 8.472 ( 11.043 -3.650 -9.229) 14.847 8.976 ( -2.922 -3.169 4.772) 6.430 8.976 ( 2.922 -3.169 4.772) 6.430 9.269 ( -6.955 -0.061 -2.491) 7.388 9.269 ( 6.955 -0.061 -2.491) 7.388 9.485 ( -4.426 -6.167 -4.723) 8.940 9.485 ( 4.426 -6.167 -4.723) 8.940 9.915 ( -6.242 -1.970 -11.152) 12.931 9.915 ( 6.242 -1.970 -11.152) 12.931 11.640 ( -3.088 8.397 0.781) 8.981 11.640 ( 3.088 8.397 0.781) 8.981 11.992 ( -3.297 -0.564 2.680) 4.286 11.992 ( 3.297 -0.564 2.680) 4.286 12.941 ( -4.097 -2.855 8.932) 10.233 12.941 ( 4.097 -2.855 8.932) 10.233 13.446 ( -3.927 4.398 3.104) 6.663 13.446 ( 3.927 4.398 3.104) 6.663 13.696 ( -11.734 3.278 0.169) 12.185 13.696 ( 11.734 3.278 0.169) 12.185 14.793 ( -1.222 -2.514 -1.361) 3.109 14.793 ( 1.222 -2.514 -1.361) 3.109 15.024 ( -1.867 2.080 -3.333) 4.350 15.024 ( 1.867 2.080 -3.333) 4.350 15.285 ( -6.844 -0.349 0.820) 6.902 15.285 ( 6.844 -0.349 0.820) 6.902 16.760 ( -9.582 -0.252 4.012) 10.391 16.760 ( 9.582 -0.252 4.012) 10.391 17.772 ( -4.586 -10.276 -8.536) 14.124 17.772 ( 4.586 -10.276 -8.536) 14.124 23.765 ( -0.681 9.243 0.055) 9.268 23.765 ( 0.681 9.243 0.055) 9.268 23.884 ( -1.229 4.944 -2.643) 5.740 23.884 ( 1.229 4.944 -2.643) 5.740 24.397 ( -1.883 5.129 -0.543) 5.490 24.397 ( 1.883 5.129 -0.543) 5.490 24.614 ( -2.184 -0.563 -0.939) 2.444 24.614 ( 2.184 -0.563 -0.939) 2.444 26.625 ( -7.519 1.044 5.209) 9.207 26.625 ( 7.519 1.044 5.209) 9.207 27.361 ( -17.870 -3.959 -7.730) 19.869 27.361 ( 17.870 -3.959 -7.730) 19.869 28.869 ( -7.059 2.193 10.489) 12.832 28.869 ( 7.059 2.193 10.489) 12.832 29.998 ( -16.920 -9.952 -2.186) 19.752 29.998 ( 16.920 -9.952 -2.186) 19.752 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 0.000 14.409 23.422) 27.499 2.413 ( 0.000 15.615 25.020) 29.493 3.241 ( 0.000 6.387 8.652) 10.754 3.338 ( 0.000 16.434 4.790) 17.118 3.490 ( 0.000 10.970 5.731) 12.377 3.743 ( 0.000 11.339 5.019) 12.400 3.807 ( 0.000 16.880 0.425) 16.885 3.862 ( 0.000 -9.131 -5.372) 10.594 3.941 ( 0.000 -1.101 5.583) 5.690 3.986 ( 0.000 -1.255 -12.190) 12.255 4.220 ( 0.000 4.181 -5.743) 7.104 4.384 ( 0.000 -3.557 1.809) 3.991 4.584 ( 0.000 6.147 2.088) 6.492 4.690 ( 0.000 -0.267 2.777) 2.790 4.932 ( 0.000 -1.772 -8.501) 8.684 4.970 ( 0.000 3.413 1.311) 3.656 5.246 ( 0.000 3.177 -5.423) 6.285 5.307 ( 0.000 -1.945 4.490) 4.893 5.368 ( 0.000 5.918 -3.490) 6.871 5.472 ( 0.000 1.204 -3.522) 3.722 5.674 ( 0.000 -3.529 2.022) 4.067 5.782 ( 0.000 2.527 2.632) 3.649 5.940 ( 0.000 -3.074 1.236) 3.313 5.993 ( 0.000 8.181 -5.623) 9.927 6.071 ( 0.000 -1.011 -0.689) 1.223 6.351 ( 0.000 -4.176 -1.369) 4.395 6.368 ( 0.000 0.451 -10.121) 10.131 6.616 ( 0.000 -2.166 -1.091) 2.425 6.681 ( 0.000 10.626 -6.948) 12.696 6.991 ( 0.000 5.586 3.357) 6.517 7.123 ( 0.000 -1.104 -2.591) 2.816 7.343 ( 0.000 -4.137 -9.479) 10.343 7.697 ( 0.000 4.603 -1.679) 4.900 7.722 ( 0.000 -2.418 -1.755) 2.988 7.801 ( 0.000 -3.257 -2.108) 3.880 7.850 ( 0.000 2.088 -9.080) 9.317 8.116 ( 0.000 7.640 -2.684) 8.097 8.140 ( 0.000 -5.471 -4.660) 7.187 8.371 ( 0.000 -10.507 0.096) 10.507 8.535 ( 0.000 3.412 -8.640) 9.289 8.870 ( 0.000 -5.219 2.454) 5.768 8.909 ( 0.000 -7.100 -3.386) 7.866 9.015 ( 0.000 -5.510 4.312) 6.996 9.172 ( 0.000 -5.849 0.695) 5.890 9.495 ( 0.000 -2.745 -4.813) 5.541 9.511 ( 0.000 1.912 -0.102) 1.914 9.801 ( 0.000 -3.101 -0.869) 3.220 9.862 ( 0.000 -7.820 -7.337) 10.723 11.728 ( 0.000 3.062 -0.257) 3.073 11.760 ( 0.000 11.572 -0.643) 11.590 11.959 ( 0.000 1.377 2.443) 2.804 12.106 ( 0.000 2.299 1.174) 2.582 12.865 ( 0.000 4.313 11.882) 12.640 12.952 ( 0.000 4.175 8.998) 9.919 13.301 ( 0.000 -5.713 5.118) 7.670 13.333 ( 0.000 -5.630 3.390) 6.572 13.618 ( 0.000 5.898 5.010) 7.739 14.124 ( 0.000 9.402 -8.560) 12.715 14.687 ( 0.000 -3.601 -0.604) 3.651 14.845 ( 0.000 0.890 -2.830) 2.966 15.033 ( 0.000 0.704 -4.268) 4.326 15.144 ( 0.000 2.341 2.943) 3.760 15.258 ( 0.000 1.408 -2.236) 2.642 15.498 ( 0.000 -2.863 -3.368) 4.420 16.589 ( 0.000 5.044 2.489) 5.625 17.105 ( 0.000 -6.405 -7.280) 9.696 17.223 ( 0.000 -12.664 4.133) 13.322 17.636 ( 0.000 -13.512 -7.612) 15.509 23.880 ( 0.000 2.455 -1.713) 2.994 23.883 ( 0.000 6.575 0.243) 6.579 24.092 ( 0.000 11.686 -2.025) 11.861 24.196 ( 0.000 14.993 -11.026) 18.611 24.392 ( 0.000 -0.969 0.757) 1.229 24.559 ( 0.000 -0.724 -2.804) 2.896 24.617 ( 0.000 8.313 -1.086) 8.383 24.683 ( 0.000 6.395 -2.037) 6.712 26.434 ( 0.000 -0.472 -0.408) 0.624 26.456 ( 0.000 -1.402 -0.399) 1.458 27.281 ( 0.000 2.914 6.406) 7.038 27.866 ( 0.000 -5.831 -6.283) 8.572 28.712 ( 0.000 -1.461 9.201) 9.316 28.776 ( 0.000 -6.899 7.482) 10.177 29.376 ( 0.000 1.951 14.522) 14.653 30.114 ( 0.000 -15.870 -1.965) 15.991 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 10.641 14.422 23.254) 29.359 2.574 ( 12.332 11.749 18.999) 25.516 3.093 ( -10.328 9.571 7.460) 15.935 3.254 ( -10.012 13.508 14.940) 22.492 3.471 ( -0.636 4.147 -3.296) 5.336 3.613 ( -5.916 4.372 -3.581) 8.182 3.728 ( -7.392 8.179 -0.093) 11.025 3.752 ( -3.397 16.370 -6.513) 17.942 4.066 ( 11.231 -5.359 5.665) 13.673 4.084 ( 2.458 -1.828 -9.384) 9.871 4.303 ( -0.356 1.017 0.058) 1.079 4.462 ( 6.364 -2.456 -0.666) 6.853 4.593 ( 2.216 2.493 -0.826) 3.436 4.756 ( 5.790 3.901 -0.868) 7.035 4.889 ( -3.979 2.080 1.179) 4.642 5.080 ( 4.151 -3.645 -3.558) 6.571 5.172 ( 1.302 5.082 -3.924) 6.551 5.306 ( 1.385 -2.205 6.649) 7.141 5.404 ( -3.895 3.362 -1.016) 5.245 5.487 ( 5.476 4.832 -3.479) 8.089 5.707 ( 1.168 -0.282 3.049) 3.277 5.729 ( -3.637 2.403 1.047) 4.483 5.853 ( -3.272 2.561 0.920) 4.256 5.982 ( -4.855 7.708 -4.665) 10.235 6.147 ( 5.894 -2.672 -0.631) 6.502 6.293 ( -3.893 -3.011 -1.746) 5.222 6.352 ( -0.892 -0.480 -7.466) 7.535 6.583 ( -6.704 10.307 -1.748) 12.419 6.726 ( 4.651 0.566 -3.546) 5.876 6.851 ( -3.950 4.793 -1.220) 6.329 7.257 ( 5.580 -2.551 -3.771) 7.202 7.344 ( 0.175 -5.448 -8.220) 9.863 7.590 ( -2.552 -0.483 -1.983) 3.268 7.683 ( -4.270 1.126 -2.720) 5.187 7.873 ( 4.102 -1.849 -0.118) 4.501 7.984 ( 6.580 -0.685 -3.210) 7.353 8.063 ( -3.451 7.794 -1.965) 8.747 8.186 ( 3.081 -1.262 -5.229) 6.199 8.223 ( -6.437 -8.803 0.454) 10.915 8.558 ( -2.362 -3.195 -7.199) 8.222 8.899 ( 0.344 -4.685 -0.898) 4.783 8.965 ( -2.738 -4.129 3.141) 5.866 9.027 ( 9.605 -5.231 -2.436) 11.205 9.204 ( 2.368 -5.867 0.297) 6.334 9.416 ( -3.508 -0.144 -2.586) 4.360 9.494 ( -3.180 -1.081 -4.178) 5.361 9.788 ( 0.319 -4.698 -3.413) 5.816 9.878 ( -0.516 -7.945 -7.622) 11.022 11.772 ( 2.671 8.399 -0.073) 8.814 11.803 ( 3.544 7.740 -0.951) 8.566 11.947 ( -0.475 1.549 2.590) 3.055 12.077 ( -2.621 2.049 1.251) 3.554 12.868 ( 0.646 2.056 10.703) 10.918 12.937 ( -1.380 0.385 8.229) 8.353 13.347 ( 2.996 -5.491 5.204) 8.137 13.376 ( 2.651 -8.213 5.824) 10.412 13.685 ( 6.628 11.314 2.606) 13.369 14.082 ( -4.564 12.483 -7.213) 15.122 14.680 ( 0.109 -5.204 -0.137) 5.207 14.816 ( -2.872 -0.422 -2.150) 3.613 15.031 ( 0.627 1.356 -4.335) 4.585 15.162 ( -2.389 4.195 -1.396) 5.025 15.190 ( -0.679 -0.972 1.383) 1.822 15.424 ( -6.095 -2.215 -2.264) 6.869 16.642 ( 4.409 4.183 2.552) 6.592 16.943 ( -8.514 -2.739 0.272) 8.948 17.375 ( 7.734 -13.853 -3.862) 16.329 17.608 ( -2.512 -13.828 -7.455) 15.909 23.881 ( 0.067 3.315 -1.175) 3.517 23.883 ( -0.030 5.756 -0.277) 5.763 24.073 ( -0.854 10.921 -2.816) 11.311 24.155 ( -3.390 12.998 -8.285) 15.782 24.425 ( 3.089 1.791 0.738) 3.646 24.566 ( -0.466 4.803 -1.283) 4.993 24.607 ( -0.380 2.822 -1.663) 3.297 24.660 ( -1.743 5.373 -1.812) 5.932 26.479 ( 6.144 1.052 1.147) 6.338 26.636 ( 10.680 -0.679 -0.422) 10.709 27.149 ( -7.471 0.032 2.473) 7.870 27.658 ( -16.638 -7.495 -6.633) 19.417 28.733 ( 7.636 1.598 11.628) 14.002 28.988 ( 5.720 0.467 6.232) 8.472 29.447 ( 8.846 -6.608 10.811) 15.453 30.018 ( -8.465 -15.667 -0.897) 17.830 ======================= Grid point 147 (54/90) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -9.300 11.513 14.589) 20.782 2.799 ( 9.300 11.513 14.589) 20.782 2.945 ( -13.070 11.041 16.982) 24.106 2.945 ( 13.070 11.041 16.982) 24.106 3.496 ( -3.874 0.585 -9.198) 9.998 3.496 ( 3.874 0.585 -9.198) 9.998 3.680 ( -2.113 14.924 -1.474) 15.145 3.680 ( 2.113 14.924 -1.474) 15.145 4.162 ( -3.775 -3.769 -7.604) 9.288 4.162 ( 3.775 -3.769 -7.604) 9.288 4.381 ( -9.093 -2.163 7.181) 11.787 4.381 ( 9.093 -2.163 7.181) 11.787 4.753 ( -7.505 1.521 -6.097) 9.789 4.753 ( 7.505 1.521 -6.097) 9.789 4.959 ( -9.009 5.559 -1.690) 10.719 4.959 ( 9.009 5.559 -1.690) 10.719 5.290 ( -4.374 0.788 4.968) 6.665 5.290 ( 4.374 0.788 4.968) 6.665 5.490 ( -7.424 -0.602 1.432) 7.585 5.490 ( 7.424 -0.602 1.432) 7.585 5.690 ( -1.736 2.781 3.636) 4.896 5.690 ( 1.736 2.781 3.636) 4.896 5.853 ( -4.547 7.623 -2.609) 9.251 5.853 ( 4.547 7.623 -2.609) 9.251 6.234 ( -1.659 -0.805 -6.175) 6.444 6.234 ( 1.659 -0.805 -6.175) 6.444 6.399 ( -6.484 3.289 0.317) 7.277 6.399 ( 6.484 3.289 0.317) 7.277 6.812 ( -2.046 4.878 -4.213) 6.762 6.812 ( 2.046 4.878 -4.213) 6.762 7.335 ( -1.720 -6.696 -6.717) 9.639 7.335 ( 1.720 -6.696 -6.717) 9.639 7.597 ( -2.694 -0.267 -2.338) 3.576 7.597 ( 2.694 -0.267 -2.338) 3.576 7.978 ( -4.901 3.789 2.617) 6.725 7.978 ( 4.901 3.789 2.617) 6.725 8.064 ( -3.136 -4.353 1.927) 5.701 8.064 ( 3.136 -4.353 1.927) 5.701 8.400 ( -10.402 -3.073 -9.682) 14.540 8.400 ( 10.402 -3.073 -9.682) 14.540 8.909 ( -1.560 -3.033 2.724) 4.365 8.909 ( 1.560 -3.033 2.724) 4.365 9.220 ( -3.913 -5.804 -2.255) 7.354 9.220 ( 3.913 -5.804 -2.255) 7.354 9.398 ( -3.192 -1.342 -5.553) 6.544 9.398 ( 3.192 -1.342 -5.553) 6.544 9.829 ( -2.933 -6.860 -6.606) 9.965 9.829 ( 2.933 -6.860 -6.606) 9.965 11.827 ( -1.787 9.587 -0.130) 9.753 11.827 ( 1.787 9.587 -0.130) 9.753 11.994 ( -4.262 1.013 1.606) 4.666 11.994 ( 4.262 1.013 1.606) 4.666 12.898 ( -1.798 -1.079 8.747) 8.995 12.898 ( 1.798 -1.079 8.747) 8.995 13.397 ( -0.977 -8.000 6.328) 10.247 13.397 ( 0.977 -8.000 6.328) 10.247 13.900 ( -10.753 15.190 -2.274) 18.749 13.900 ( 10.753 15.190 -2.274) 18.749 14.727 ( -4.012 -4.279 -0.786) 5.917 14.727 ( 4.012 -4.279 -0.786) 5.917 15.073 ( -2.981 2.756 -3.789) 5.553 15.073 ( 2.981 2.756 -3.789) 5.553 15.273 ( -6.040 -0.968 0.429) 6.132 15.273 ( 6.040 -0.968 0.429) 6.132 16.770 ( -6.820 1.771 2.289) 7.409 16.770 ( 6.820 1.771 2.289) 7.409 17.522 ( -5.213 -14.282 -6.646) 16.593 17.522 ( 5.213 -14.282 -6.646) 16.593 23.882 ( -0.059 4.614 -0.690) 4.666 23.882 ( 0.059 4.614 -0.690) 4.666 24.084 ( -2.102 10.794 -4.606) 11.922 24.084 ( 2.102 10.794 -4.606) 11.922 24.510 ( -3.840 5.757 0.152) 6.922 24.510 ( 3.840 5.757 0.152) 6.922 24.622 ( -1.378 2.265 -1.784) 3.196 24.622 ( 1.378 2.265 -1.784) 3.196 26.665 ( -8.213 3.239 3.762) 9.597 26.665 ( 8.213 3.239 3.762) 9.597 27.250 ( -16.571 -7.200 -6.541) 19.215 27.250 ( 16.571 -7.200 -6.541) 19.215 28.936 ( -7.915 4.636 10.418) 13.881 28.936 ( 7.915 4.636 10.418) 13.881 29.749 ( -14.707 -14.411 2.667) 20.763 29.749 ( 14.707 -14.411 2.667) 20.763 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 0.000 17.412 17.427) 24.635 2.738 ( 0.000 17.437 18.730) 25.590 3.326 ( 0.000 -3.003 2.352) 3.814 3.423 ( 0.000 -11.087 7.752) 13.528 3.579 ( 0.000 2.800 9.911) 10.299 3.787 ( 0.000 3.639 6.634) 7.567 3.811 ( 0.000 4.759 0.586) 4.795 3.936 ( 0.000 -3.809 -10.206) 10.894 4.119 ( 0.000 12.511 -3.365) 12.955 4.187 ( 0.000 16.577 -1.035) 16.610 4.233 ( 0.000 -2.435 0.277) 2.451 4.377 ( 0.000 4.791 0.656) 4.836 4.637 ( 0.000 -2.594 4.325) 5.043 4.655 ( 0.000 -4.455 0.123) 4.457 4.929 ( 0.000 2.543 -4.841) 5.468 4.995 ( 0.000 -0.396 -0.859) 0.946 5.242 ( 0.000 -2.194 -9.676) 9.922 5.340 ( 0.000 2.724 4.313) 5.101 5.475 ( 0.000 -0.994 0.260) 1.027 5.528 ( 0.000 2.615 -0.127) 2.618 5.569 ( 0.000 2.792 6.049) 6.663 5.782 ( 0.000 -1.860 -2.241) 2.912 6.001 ( 0.000 5.350 -0.866) 5.420 6.023 ( 0.000 0.369 4.229) 4.245 6.151 ( 0.000 0.730 -7.798) 7.832 6.240 ( 0.000 -7.114 9.328) 11.731 6.457 ( 0.000 10.411 -13.884) 17.354 6.611 ( 0.000 4.614 -12.485) 13.310 6.888 ( 0.000 6.916 -14.006) 15.621 6.963 ( 0.000 -7.736 -7.449) 10.739 7.114 ( 0.000 1.763 -2.138) 2.771 7.305 ( 0.000 -1.351 -5.513) 5.676 7.657 ( 0.000 -3.172 -2.436) 4.000 7.698 ( 0.000 -4.015 -5.110) 6.498 7.811 ( 0.000 4.112 -1.163) 4.274 7.928 ( 0.000 5.121 -3.329) 6.107 8.042 ( 0.000 -4.340 -3.843) 5.797 8.167 ( 0.000 -5.208 -1.989) 5.575 8.334 ( 0.000 9.273 1.660) 9.421 8.584 ( 0.000 0.506 -5.987) 6.009 8.758 ( 0.000 -5.115 1.902) 5.458 8.777 ( 0.000 -5.922 -2.172) 6.307 8.948 ( 0.000 -1.342 2.837) 3.138 9.054 ( 0.000 -5.603 1.132) 5.716 9.458 ( 0.000 -0.771 -3.988) 4.062 9.542 ( 0.000 1.051 0.417) 1.131 9.686 ( 0.000 -9.010 -4.527) 10.084 9.702 ( 0.000 -5.719 0.139) 5.720 11.805 ( 0.000 4.520 0.939) 4.616 11.917 ( 0.000 1.362 1.997) 2.417 12.028 ( 0.000 7.966 -2.032) 8.221 12.159 ( 0.000 2.451 -0.621) 2.528 12.944 ( 0.000 3.586 11.855) 12.385 13.008 ( 0.000 1.256 10.035) 10.113 13.170 ( 0.000 -6.561 6.848) 9.484 13.185 ( 0.000 -7.723 6.240) 9.929 13.800 ( 0.000 11.485 2.356) 11.724 14.192 ( 0.000 -3.720 -5.150) 6.353 14.691 ( 0.000 4.300 -5.107) 6.677 14.846 ( 0.000 -1.170 -5.091) 5.223 15.061 ( 0.000 2.149 -1.411) 2.571 15.152 ( 0.000 -1.318 2.284) 2.637 15.311 ( 0.000 3.595 -1.846) 4.041 15.440 ( 0.000 -2.967 -2.380) 3.804 16.702 ( 0.000 6.228 0.348) 6.238 16.965 ( 0.000 -7.468 -5.338) 9.180 17.071 ( 0.000 -2.061 0.516) 2.125 17.366 ( 0.000 -13.363 -6.393) 14.814 23.952 ( 0.000 4.692 -1.783) 5.019 24.008 ( 0.000 5.183 -1.468) 5.387 24.289 ( 0.000 7.238 -0.894) 7.293 24.331 ( 0.000 -2.236 1.179) 2.528 24.389 ( 0.000 4.418 -5.416) 6.989 24.480 ( 0.000 -4.994 -2.109) 5.421 24.817 ( 0.000 8.960 -7.586) 11.740 24.837 ( 0.000 6.830 -4.949) 8.435 26.429 ( 0.000 -0.138 -1.360) 1.367 26.434 ( 0.000 -0.746 -0.892) 1.163 27.369 ( 0.000 6.220 4.133) 7.468 27.714 ( 0.000 -9.381 -4.122) 10.247 28.676 ( 0.000 -3.028 11.356) 11.752 28.679 ( 0.000 -1.772 10.494) 10.643 29.446 ( 0.000 5.405 11.630) 12.824 29.819 ( 0.000 -13.640 3.830) 14.168 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.25 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 8.999 14.796 17.004) 24.270 2.843 ( 8.270 15.785 12.775) 21.927 3.259 ( -4.895 3.431 1.504) 6.164 3.404 ( -4.324 -4.459 1.620) 6.419 3.464 ( -6.624 4.894 11.209) 13.910 3.650 ( -9.839 -5.533 2.479) 11.557 3.712 ( -5.711 -0.457 5.920) 8.239 3.894 ( -4.978 -7.192 -3.939) 9.593 4.173 ( 3.666 13.330 -1.407) 13.896 4.188 ( 1.663 14.635 -4.249) 15.330 4.349 ( 4.334 0.148 1.606) 4.625 4.437 ( 6.068 4.973 -3.981) 8.798 4.615 ( 0.640 -1.133 2.995) 3.266 4.828 ( 9.392 -1.271 1.005) 9.530 4.921 ( -5.462 0.364 -0.545) 5.502 4.958 ( 4.286 -4.944 -2.673) 7.068 5.251 ( 1.593 -0.100 -3.159) 3.540 5.356 ( -2.083 8.276 -0.864) 8.578 5.396 ( -1.105 -4.682 -1.060) 4.925 5.571 ( -0.397 0.364 -0.645) 0.840 5.652 ( 5.791 3.011 6.886) 9.488 5.775 ( 0.875 2.152 -2.162) 3.174 5.966 ( -1.810 5.094 -1.147) 5.526 6.060 ( -1.181 -2.150 -0.187) 2.460 6.187 ( 4.848 2.531 -0.881) 5.540 6.250 ( 1.636 -0.268 2.836) 3.285 6.391 ( -4.128 7.654 -11.698) 14.576 6.717 ( 4.197 0.195 -7.128) 8.274 6.782 ( -8.581 6.430 -2.938) 11.117 6.912 ( 1.268 2.462 -12.823) 13.119 7.167 ( 1.607 -4.811 -7.854) 9.350 7.267 ( -3.325 -3.658 -6.067) 7.826 7.582 ( -1.331 0.740 -0.211) 1.538 7.730 ( -5.563 3.738 -0.647) 6.733 7.790 ( 3.773 -6.831 -0.541) 7.823 8.017 ( 4.788 4.464 -0.787) 6.593 8.020 ( -4.496 -9.646 -0.452) 10.652 8.161 ( 5.282 -0.443 -6.991) 8.773 8.270 ( -5.078 9.652 0.791) 10.935 8.516 ( -5.233 -2.066 -4.251) 7.051 8.815 ( 3.650 -2.911 -0.625) 4.710 8.909 ( 7.293 -5.348 -1.669) 9.197 8.918 ( -0.195 -1.098 0.596) 1.265 9.091 ( 1.765 -6.183 -0.908) 6.494 9.419 ( -2.247 1.163 -2.766) 3.749 9.500 ( -3.439 1.240 -2.455) 4.403 9.649 ( -1.057 -8.008 -2.153) 8.359 9.710 ( -1.071 -8.476 -3.117) 9.094 11.876 ( 5.540 4.243 0.671) 7.010 11.945 ( 2.376 2.184 1.503) 3.560 12.022 ( -0.737 7.551 -1.440) 7.722 12.128 ( -2.889 2.536 -0.219) 3.850 12.917 ( -1.447 3.248 10.337) 10.931 12.959 ( -2.960 1.783 9.028) 9.667 13.191 ( 0.651 -9.428 7.340) 11.966 13.198 ( 0.861 -8.781 6.625) 11.033 13.929 ( 10.629 12.900 1.601) 16.791 14.259 ( 4.499 2.331 -5.203) 7.262 14.619 ( -5.496 1.068 -2.153) 5.998 14.790 ( -5.538 -2.550 -3.370) 6.966 15.066 ( 1.356 2.234 -2.826) 3.849 15.161 ( 0.933 -1.907 1.317) 2.498 15.243 ( -4.555 3.916 -1.920) 6.306 15.374 ( -5.390 -2.845 -1.695) 6.326 16.747 ( 3.657 6.395 0.206) 7.370 16.931 ( -2.932 1.701 -2.387) 4.146 17.130 ( 4.634 -10.393 -2.719) 11.699 17.334 ( -2.827 -13.560 -6.063) 15.120 23.962 ( 0.833 5.029 -1.545) 5.327 24.004 ( -0.389 5.776 -1.282) 5.929 24.205 ( -3.366 1.412 -1.720) 4.035 24.263 ( -5.026 -0.491 -3.179) 5.967 24.482 ( 6.484 4.476 -1.036) 7.947 24.571 ( 5.366 -0.283 -1.819) 5.672 24.759 ( -4.702 8.102 -4.884) 10.564 24.793 ( -3.644 5.826 -3.991) 7.946 26.514 ( 8.721 2.448 -0.463) 9.070 26.615 ( 13.067 -1.669 -2.270) 13.368 27.183 ( -13.239 3.893 2.447) 14.015 27.487 ( -17.016 -9.603 -3.875) 19.919 28.783 ( 11.831 3.512 11.603) 16.939 28.961 ( 15.289 -3.595 7.624) 17.458 29.387 ( -4.154 1.445 11.588) 12.394 29.724 ( -8.408 -13.769 4.385) 16.719 ======================= Grid point 152 (57/90) ======================= q-point: (-0.50 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( -3.137 12.952 8.412) 15.759 3.040 ( 3.137 12.952 8.412) 15.759 3.165 ( -8.948 11.398 10.697) 18.011 3.165 ( 8.948 11.398 10.697) 18.011 3.441 ( -6.348 -5.176 -2.289) 8.504 3.441 ( 6.348 -5.176 -2.289) 8.504 3.747 ( -6.412 -11.574 4.466) 13.965 3.747 ( 6.412 -11.574 4.466) 13.965 4.221 ( -0.051 13.698 -3.643) 14.174 4.221 ( 0.051 13.698 -3.643) 14.174 4.436 ( -3.581 5.225 0.309) 6.342 4.436 ( 3.581 5.225 0.309) 6.342 4.752 ( -8.773 -1.030 -1.120) 8.904 4.752 ( 8.773 -1.030 -1.120) 8.904 5.002 ( -4.020 -5.477 1.183) 6.896 5.002 ( 4.020 -5.477 1.183) 6.896 5.294 ( -3.054 3.334 -3.664) 5.820 5.294 ( 3.054 3.334 -3.664) 5.820 5.472 ( -6.571 -1.490 0.483) 6.756 5.472 ( 6.571 -1.490 0.483) 6.756 5.776 ( -3.236 6.215 4.057) 8.096 5.776 ( 3.236 6.215 4.057) 8.096 5.975 ( -3.789 1.120 -3.807) 5.486 5.975 ( 3.789 1.120 -3.807) 5.486 6.267 ( -2.734 5.876 -5.839) 8.723 6.267 ( 2.734 5.876 -5.839) 8.723 6.462 ( -12.179 1.864 2.448) 12.561 6.462 ( 12.179 1.864 2.448) 12.561 6.904 ( -4.322 5.033 -8.422) 10.721 6.904 ( 4.322 5.033 -8.422) 10.721 7.187 ( -2.061 -8.075 -9.058) 12.308 7.187 ( 2.061 -8.075 -9.058) 12.308 7.614 ( -3.761 2.724 0.967) 4.744 7.614 ( 3.761 2.724 0.967) 4.744 7.888 ( -5.277 -9.036 3.383) 10.997 7.888 ( 5.277 -9.036 3.383) 10.997 8.139 ( -5.784 8.004 -0.567) 9.892 8.139 ( 5.784 8.004 -0.567) 9.892 8.352 ( -9.114 -2.401 -7.191) 11.855 8.352 ( 9.114 -2.401 -7.191) 11.855 8.878 ( -2.028 0.273 1.180) 2.362 8.878 ( 2.028 0.273 1.180) 2.362 9.075 ( -4.214 -7.995 -4.111) 9.929 9.075 ( 4.214 -7.995 -4.111) 9.929 9.417 ( -2.645 2.797 -3.376) 5.120 9.417 ( 2.645 2.797 -3.376) 5.120 9.664 ( -2.154 -9.174 -3.195) 9.950 9.664 ( 2.154 -9.174 -3.195) 9.950 11.985 ( -2.774 6.089 -0.175) 6.693 11.985 ( 2.774 6.089 -0.175) 6.693 12.030 ( -5.342 2.277 0.560) 5.834 12.030 ( 5.342 2.277 0.560) 5.834 12.911 ( -1.045 2.637 8.785) 9.232 12.911 ( 1.045 2.637 8.785) 9.232 13.202 ( -0.365 -10.840 7.053) 12.937 13.202 ( 0.365 -10.840 7.053) 12.937 14.203 ( -11.092 14.648 -1.934) 18.475 14.203 ( 11.092 14.648 -1.934) 18.475 14.621 ( -7.295 -6.807 -0.846) 10.013 14.621 ( 7.295 -6.807 -0.846) 10.013 15.129 ( -3.845 3.062 -3.174) 5.851 15.129 ( 3.845 3.062 -3.174) 5.851 15.243 ( -5.036 -2.141 -0.176) 5.475 15.243 ( 5.036 -2.141 -0.176) 5.475 16.844 ( -4.537 6.009 -0.475) 7.545 16.844 ( 4.537 6.009 -0.475) 7.545 17.244 ( -4.948 -13.569 -5.030) 15.294 17.244 ( 4.948 -13.569 -5.030) 15.294 23.986 ( -1.162 6.021 -1.103) 6.231 23.986 ( 1.162 6.021 -1.103) 6.231 24.182 ( -1.541 -0.828 -3.059) 3.524 24.182 ( 1.541 -0.828 -3.059) 3.524 24.629 ( -6.413 6.274 -1.711) 9.133 24.629 ( 6.413 6.274 -1.711) 9.133 24.691 ( -5.147 3.332 -2.257) 6.534 24.691 ( 5.147 3.332 -2.257) 6.534 26.759 ( -9.703 6.429 1.293) 11.711 26.759 ( 9.703 6.429 1.293) 11.711 27.089 ( -14.452 -9.029 -4.492) 17.622 27.089 ( 14.452 -9.029 -4.492) 17.622 29.053 ( -9.151 7.461 10.104) 15.540 29.053 ( 9.151 7.461 10.104) 15.540 29.469 ( -12.540 -13.647 6.794) 19.739 29.469 ( 12.540 -13.647 6.794) 19.739 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( 0.000 -2.141 14.116) 14.277 3.024 ( 0.000 2.141 14.116) 14.277 3.158 ( 0.000 -3.482 7.892) 8.626 3.158 ( 0.000 3.482 7.892) 8.626 3.740 ( 0.000 -9.900 0.599) 9.918 3.740 ( 0.000 9.900 0.599) 9.918 3.872 ( 0.000 -3.922 6.166) 7.308 3.872 ( 0.000 3.922 6.166) 7.308 4.242 ( 0.000 -0.142 -3.092) 3.096 4.242 ( 0.000 0.142 -3.092) 3.096 4.472 ( 0.000 -9.269 -6.353) 11.237 4.472 ( 0.000 9.269 -6.353) 11.237 4.519 ( 0.000 -5.427 4.117) 6.812 4.519 ( 0.000 5.427 4.117) 6.812 4.990 ( 0.000 -1.340 0.994) 1.668 4.990 ( 0.000 1.340 0.994) 1.668 5.247 ( 0.000 -4.961 -4.340) 6.591 5.247 ( 0.000 4.961 -4.340) 6.591 5.524 ( 0.000 -3.344 0.653) 3.407 5.524 ( 0.000 3.344 0.653) 3.407 5.715 ( 0.000 -6.395 -1.124) 6.493 5.715 ( 0.000 6.395 -1.124) 6.493 6.035 ( 0.000 -0.955 6.868) 6.934 6.035 ( 0.000 0.955 6.868) 6.934 6.141 ( 0.000 -1.012 0.568) 1.161 6.141 ( 0.000 1.012 0.568) 1.161 6.683 ( 0.000 -7.959 -15.661) 17.567 6.683 ( 0.000 7.959 -15.661) 17.567 6.855 ( 0.000 -4.865 -14.492) 15.287 6.855 ( 0.000 4.865 -14.492) 15.287 7.227 ( 0.000 -6.647 -3.317) 7.429 7.227 ( 0.000 6.647 -3.317) 7.429 7.631 ( 0.000 -1.233 -2.732) 2.998 7.631 ( 0.000 1.233 -2.732) 2.998 7.917 ( 0.000 -5.789 -4.810) 7.526 7.917 ( 0.000 5.789 -4.810) 7.526 8.065 ( 0.000 -5.415 0.697) 5.460 8.065 ( 0.000 5.415 0.697) 5.460 8.517 ( 0.000 -7.505 -2.620) 7.949 8.517 ( 0.000 7.505 -2.620) 7.949 8.706 ( 0.000 -0.489 0.493) 0.694 8.706 ( 0.000 0.489 0.493) 0.694 8.966 ( 0.000 -3.095 1.497) 3.439 8.966 ( 0.000 3.095 1.497) 3.439 9.494 ( 0.000 -4.754 -1.600) 5.016 9.494 ( 0.000 4.754 -1.600) 5.016 9.618 ( 0.000 -2.286 -1.208) 2.586 9.618 ( 0.000 2.286 -1.208) 2.586 11.886 ( 0.000 -3.321 2.045) 3.900 11.886 ( 0.000 3.321 2.045) 3.900 12.159 ( 0.000 -3.485 -2.571) 4.330 12.159 ( 0.000 3.485 -2.571) 4.330 13.000 ( 0.000 -1.933 11.028) 11.197 13.000 ( 0.000 1.933 11.028) 11.197 13.096 ( 0.000 -0.203 7.410) 7.413 13.096 ( 0.000 0.203 7.410) 7.413 14.030 ( 0.000 -11.143 -0.120) 11.144 14.030 ( 0.000 11.143 -0.120) 11.144 14.791 ( 0.000 -4.489 -6.991) 8.308 14.791 ( 0.000 4.489 -6.991) 8.308 15.110 ( 0.000 -2.634 0.973) 2.808 15.110 ( 0.000 2.634 0.973) 2.808 15.380 ( 0.000 -3.267 -1.649) 3.659 15.380 ( 0.000 3.267 -1.649) 3.659 16.826 ( 0.000 -6.624 -2.356) 7.030 16.826 ( 0.000 6.624 -2.356) 7.030 17.143 ( 0.000 -8.584 -4.077) 9.503 17.143 ( 0.000 8.584 -4.077) 9.503 24.036 ( 0.000 -2.633 -2.395) 3.559 24.036 ( 0.000 2.633 -2.395) 3.559 24.328 ( 0.000 -2.064 2.613) 3.330 24.328 ( 0.000 2.064 2.613) 3.330 24.430 ( 0.000 -0.220 -4.256) 4.262 24.430 ( 0.000 0.220 -4.256) 4.262 24.908 ( 0.000 -0.184 -7.594) 7.596 24.908 ( 0.000 0.184 -7.594) 7.596 26.427 ( 0.000 -0.042 -1.491) 1.491 26.427 ( 0.000 0.042 -1.491) 1.491 27.524 ( 0.000 -9.343 0.234) 9.346 27.524 ( 0.000 9.343 0.234) 9.346 28.654 ( 0.000 -0.444 11.613) 11.622 28.654 ( 0.000 0.444 11.613) 11.622 29.592 ( 0.000 -9.558 8.135) 12.551 29.592 ( 0.000 9.558 8.135) 12.551 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.25 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( 5.429 -7.440 8.357) 12.437 3.080 ( 5.429 7.440 8.357) 12.437 3.206 ( 4.729 -11.299 6.882) 14.049 3.206 ( 4.729 11.299 6.882) 14.049 3.602 ( -9.759 -5.942 4.771) 12.382 3.602 ( -9.759 5.942 4.771) 12.382 3.725 ( -12.870 -4.191 4.489) 14.260 3.725 ( -12.870 4.191 4.489) 14.260 4.324 ( 6.614 -2.767 -2.000) 7.443 4.324 ( 6.614 2.767 -2.000) 7.443 4.478 ( 1.648 -11.948 -3.299) 12.504 4.478 ( 1.648 11.948 -3.299) 12.504 4.654 ( 7.526 -12.765 0.113) 14.819 4.654 ( 7.526 12.765 0.113) 14.819 4.927 ( -4.508 -1.165 4.181) 6.258 4.927 ( -4.508 1.165 4.181) 6.258 5.285 ( 3.577 -4.276 -4.807) 7.361 5.285 ( 3.577 4.276 -4.807) 7.361 5.509 ( -2.668 -5.799 -3.242) 7.159 5.509 ( -2.668 5.799 -3.242) 7.159 5.768 ( 5.081 -4.507 0.094) 6.792 5.768 ( 5.081 4.507 0.094) 6.792 6.008 ( -2.770 -1.769 2.156) 3.930 6.008 ( -2.770 1.769 2.156) 3.930 6.222 ( 6.815 -2.463 3.997) 8.275 6.222 ( 6.815 2.463 3.997) 8.275 6.609 ( -6.356 -11.049 -9.998) 16.200 6.609 ( -6.356 11.049 -9.998) 16.200 6.899 ( 3.860 -6.312 -14.816) 16.561 6.899 ( 3.860 6.312 -14.816) 16.561 7.173 ( -4.754 -5.274 -4.769) 8.553 7.173 ( -4.754 5.274 -4.769) 8.553 7.646 ( 1.669 -5.947 0.371) 6.188 7.646 ( 1.669 5.947 0.371) 6.188 7.848 ( -6.029 -7.642 0.112) 9.734 7.848 ( -6.029 7.642 0.112) 9.734 8.115 ( 5.609 -4.228 -3.661) 7.921 8.115 ( 5.609 4.228 -3.661) 7.921 8.439 ( -5.772 -6.464 -1.949) 8.883 8.439 ( -5.772 6.464 -1.949) 8.883 8.812 ( 6.755 -2.920 -1.846) 7.587 8.812 ( 6.755 2.920 -1.846) 7.587 8.969 ( -0.111 -5.345 0.128) 5.347 8.969 ( -0.111 5.345 0.128) 5.347 9.480 ( -0.511 -4.624 -1.529) 4.897 9.480 ( -0.511 4.624 -1.529) 4.897 9.583 ( -3.008 -3.568 -2.057) 5.100 9.583 ( -3.008 3.568 -2.057) 5.100 11.940 ( 4.398 -2.054 1.479) 5.074 11.940 ( 4.398 2.054 1.479) 5.074 12.136 ( -2.281 -2.694 -1.775) 3.952 12.136 ( -2.281 2.694 -1.775) 3.952 12.990 ( -0.235 -1.876 9.930) 10.108 12.990 ( -0.235 1.876 9.930) 10.108 13.068 ( -2.295 -1.201 7.373) 7.815 13.068 ( -2.295 1.201 7.373) 7.815 14.161 ( 10.751 -9.963 -0.120) 14.658 14.161 ( 10.751 9.963 -0.120) 14.658 14.709 ( -7.903 -5.565 -4.642) 10.722 14.709 ( -7.903 5.565 -4.642) 10.722 15.115 ( 1.373 -2.616 -0.395) 2.980 15.115 ( 1.373 2.616 -0.395) 2.980 15.314 ( -5.152 -3.303 -1.595) 6.324 15.314 ( -5.152 3.303 -1.595) 6.324 16.886 ( 4.762 -7.417 -2.572) 9.182 16.886 ( 4.762 7.417 -2.572) 9.182 17.106 ( -3.218 -8.610 -3.777) 9.937 17.106 ( -3.218 8.610 -3.777) 9.937 24.050 ( 1.396 -2.495 -2.193) 3.603 24.050 ( 1.396 2.495 -2.193) 3.603 24.216 ( -5.912 -2.560 -0.555) 6.466 24.216 ( -5.912 2.560 -0.555) 6.466 24.554 ( 7.107 -2.188 -1.582) 7.602 24.554 ( 7.107 2.188 -1.582) 7.602 24.849 ( -4.886 -0.690 -5.525) 7.407 24.849 ( -4.886 0.690 -5.525) 7.407 26.569 ( 11.866 -2.900 -2.067) 12.389 26.569 ( 11.866 2.900 -2.067) 12.389 27.305 ( -16.224 -8.335 -0.183) 18.241 27.305 ( -16.224 8.335 -0.183) 18.241 28.869 ( 15.673 -5.064 10.444) 19.503 28.869 ( 15.673 5.064 10.444) 19.503 29.497 ( -8.360 -9.074 8.368) 14.908 29.497 ( -8.360 9.074 8.368) 14.908 ======================= Grid point 159 (60/90) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( -7.272 -8.097 0.409) 10.891 3.262 ( 6.585 -7.949 0.409) 10.331 3.262 ( -6.585 7.949 0.409) 10.331 3.262 ( 7.272 8.097 0.409) 10.891 3.460 ( -5.815 -13.912 9.896) 18.035 3.460 ( 5.647 -13.895 9.896) 17.969 3.460 ( -5.647 13.895 9.896) 17.969 3.460 ( 5.815 13.912 9.896) 18.035 4.456 ( -4.124 -6.314 -2.927) 8.090 4.456 ( 4.094 -6.310 -2.927) 8.071 4.456 ( -4.094 6.310 -2.927) 8.071 4.456 ( 4.124 6.314 -2.927) 8.090 4.811 ( -5.991 -9.268 3.555) 11.594 4.811 ( 5.818 -9.240 3.555) 11.483 4.811 ( -5.818 9.240 3.555) 11.483 4.811 ( 5.991 9.268 3.555) 11.594 5.403 ( -6.043 -5.511 -4.972) 9.571 5.403 ( 6.041 -5.511 -4.972) 9.570 5.403 ( -6.041 5.511 -4.972) 9.570 5.403 ( 6.043 5.511 -4.972) 9.571 5.906 ( -4.293 -5.910 0.149) 7.306 5.906 ( -0.438 -5.510 0.149) 5.530 5.906 ( 0.438 5.510 0.149) 5.530 5.906 ( 4.293 5.910 0.149) 7.306 6.416 ( -9.704 -6.607 -1.082) 11.790 6.416 ( 7.462 -5.834 -1.082) 9.533 6.416 ( -7.462 5.834 -1.082) 9.533 6.416 ( 9.704 6.607 -1.082) 11.790 7.030 ( -4.583 -7.159 -9.601) 12.823 7.030 ( -1.090 -6.804 -9.601) 11.818 7.030 ( 1.090 6.804 -9.601) 11.818 7.030 ( 4.583 7.159 -9.601) 12.823 7.717 ( -4.692 -7.578 2.676) 9.306 7.717 ( 4.608 -7.565 2.676) 9.253 7.717 ( -4.608 7.565 2.676) 9.253 7.717 ( 4.692 7.578 2.676) 9.306 8.280 ( -7.999 -5.529 -3.901) 10.477 8.280 ( 7.990 -5.526 -3.901) 10.468 8.280 ( -7.990 5.526 -3.901) 10.468 8.280 ( 7.999 5.529 -3.901) 10.477 8.935 ( -3.487 -5.586 -1.918) 6.858 8.935 ( 3.480 -5.585 -1.918) 6.854 8.935 ( -3.480 5.585 -1.918) 6.854 8.935 ( 3.487 5.586 -1.918) 6.858 9.506 ( -2.481 -6.359 -2.240) 7.184 9.506 ( 1.861 -6.306 -2.240) 6.946 9.506 ( -1.861 6.306 -2.240) 6.946 9.506 ( 2.481 6.359 -2.240) 7.184 12.053 ( -4.905 -0.761 -0.016) 4.964 12.053 ( -4.878 0.717 -0.016) 4.931 12.053 ( 4.878 -0.717 -0.016) 4.931 12.053 ( 4.905 0.761 -0.016) 4.964 13.012 ( -0.838 -7.737 8.121) 11.248 13.012 ( 0.270 -7.727 8.121) 11.213 13.012 ( -0.270 7.727 8.121) 11.213 13.012 ( 0.838 7.737 8.121) 11.248 14.452 ( -12.287 -10.200 -1.373) 16.028 14.452 ( 1.598 -8.181 -1.373) 8.448 14.452 ( -1.598 8.181 -1.373) 8.448 14.452 ( 12.287 10.200 -1.373) 16.028 15.191 ( -4.807 -2.998 -1.549) 5.873 15.191 ( 0.448 -1.806 -1.549) 2.422 15.191 ( -0.448 1.806 -1.549) 2.422 15.191 ( 4.807 2.998 -1.549) 5.873 17.006 ( -4.657 -10.381 -3.129) 11.800 17.006 ( 3.592 -10.274 -3.129) 11.325 17.006 ( -3.592 10.274 -3.129) 11.325 17.006 ( 4.657 10.381 -3.129) 11.800 24.106 ( -2.313 -5.552 -1.635) 6.233 24.106 ( 0.350 -5.433 -1.635) 5.685 24.106 ( -0.350 5.433 -1.635) 5.685 24.106 ( 2.313 5.552 -1.635) 6.233 24.713 ( -6.827 -1.561 -2.491) 7.433 24.713 ( -6.755 1.481 -2.491) 7.351 24.713 ( 6.755 -1.481 -2.491) 7.351 24.713 ( 6.827 1.561 -2.491) 7.433 26.911 ( -16.083 -8.082 -1.720) 18.081 26.911 ( -6.933 -3.560 -1.720) 7.981 26.911 ( 6.933 3.560 -1.720) 7.981 26.911 ( 16.083 8.082 -1.720) 18.081 29.230 ( -13.410 -10.135 9.124) 19.126 29.230 ( 0.290 -7.601 9.124) 11.879 29.230 ( -0.290 7.601 9.124) 11.879 29.230 ( 13.410 10.135 9.124) 19.126 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( 0.000 0.000 30.059) 30.059 2.676 ( 0.000 0.000 26.553) 26.553 2.863 ( 0.000 0.000 1.789) 1.789 3.120 ( 0.000 0.000 -9.864) 9.864 3.325 ( 0.000 0.000 14.378) 14.378 3.328 ( 0.000 0.000 3.763) 3.763 3.607 ( 0.000 0.000 -20.167) 20.167 3.629 ( 0.000 0.000 1.026) 1.026 3.912 ( 0.000 0.000 -3.704) 3.704 4.011 ( 0.000 0.000 -20.518) 20.518 4.086 ( 0.000 0.000 0.324) 0.324 4.102 ( 0.000 0.000 -2.784) 2.784 4.502 ( 0.000 0.000 6.839) 6.839 4.751 ( 0.000 0.000 -6.162) 6.162 4.961 ( 0.000 0.000 -2.595) 2.595 5.042 ( 0.000 0.000 3.087) 3.087 5.122 ( 0.000 0.000 1.033) 1.033 5.181 ( 0.000 0.000 -0.067) 0.067 5.350 ( 0.000 0.000 -7.466) 7.466 5.393 ( 0.000 0.000 -10.508) 10.508 5.590 ( 0.000 0.000 25.203) 25.203 5.872 ( 0.000 0.000 9.135) 9.135 5.884 ( 0.000 0.000 3.416) 3.416 6.104 ( 0.000 0.000 -6.647) 6.647 6.152 ( 0.000 0.000 -2.723) 2.723 6.164 ( 0.000 0.000 -2.175) 2.175 6.177 ( 0.000 0.000 -10.091) 10.091 6.730 ( 0.000 0.000 9.893) 9.893 6.829 ( 0.000 0.000 6.840) 6.840 6.880 ( 0.000 0.000 2.828) 2.828 7.206 ( 0.000 0.000 -15.536) 15.536 7.212 ( 0.000 0.000 3.592) 3.592 7.472 ( 0.000 0.000 -2.123) 2.123 7.555 ( 0.000 0.000 -6.747) 6.747 7.750 ( 0.000 0.000 -6.161) 6.161 7.778 ( 0.000 0.000 -6.450) 6.450 8.021 ( 0.000 0.000 -0.649) 0.649 8.081 ( 0.000 0.000 -7.545) 7.545 8.452 ( 0.000 0.000 4.030) 4.030 8.589 ( 0.000 0.000 -3.245) 3.245 9.054 ( 0.000 0.000 1.864) 1.864 9.058 ( 0.000 0.000 6.761) 6.761 9.254 ( 0.000 0.000 -2.934) 2.934 9.355 ( 0.000 0.000 5.629) 5.629 9.403 ( 0.000 0.000 -6.287) 6.287 9.585 ( 0.000 0.000 -5.546) 5.546 9.668 ( 0.000 0.000 -1.727) 1.727 9.699 ( 0.000 0.000 -10.191) 10.191 11.523 ( 0.000 0.000 3.455) 3.455 11.645 ( 0.000 0.000 -2.379) 2.379 11.998 ( 0.000 0.000 5.202) 5.202 12.101 ( 0.000 0.000 0.230) 0.230 12.911 ( 0.000 0.000 5.895) 5.895 12.938 ( 0.000 0.000 4.368) 4.368 13.348 ( 0.000 0.000 0.184) 0.184 13.369 ( 0.000 0.000 -0.746) 0.746 13.759 ( 0.000 0.000 6.163) 6.163 13.894 ( 0.000 0.000 -0.068) 0.068 14.786 ( 0.000 0.000 -1.212) 1.212 14.788 ( 0.000 0.000 -1.221) 1.221 14.960 ( 0.000 0.000 -0.771) 0.771 15.059 ( 0.000 0.000 -2.691) 2.691 15.281 ( 0.000 0.000 4.745) 4.745 15.485 ( 0.000 0.000 -4.339) 4.339 16.637 ( 0.000 0.000 10.061) 10.061 17.061 ( 0.000 0.000 -9.828) 9.828 17.652 ( 0.000 0.000 -0.175) 0.175 17.786 ( 0.000 0.000 -7.692) 7.692 23.638 ( 0.000 0.000 1.917) 1.917 23.717 ( 0.000 0.000 -2.071) 2.071 23.772 ( 0.000 0.000 1.861) 1.861 23.854 ( 0.000 0.000 -2.290) 2.290 24.319 ( 0.000 0.000 0.127) 0.127 24.336 ( 0.000 0.000 -0.739) 0.739 24.592 ( 0.000 0.000 1.426) 1.426 24.656 ( 0.000 0.000 -1.879) 1.879 26.465 ( 0.000 0.000 0.551) 0.551 26.486 ( 0.000 0.000 -0.502) 0.502 27.402 ( 0.000 0.000 9.327) 9.327 27.805 ( 0.000 0.000 -10.025) 10.025 28.873 ( 0.000 0.000 5.480) 5.480 28.965 ( 0.000 0.000 -0.198) 0.198 29.688 ( 0.000 0.000 16.377) 16.377 30.269 ( 0.000 0.000 -13.696) 13.696 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 5.520 0.000 26.141) 26.718 2.825 ( 11.432 0.000 22.005) 24.797 2.871 ( 0.153 0.000 4.348) 4.351 3.103 ( -0.847 0.000 -7.344) 7.393 3.253 ( -5.606 0.000 13.341) 14.471 3.271 ( -5.566 0.000 8.996) 10.579 3.406 ( -11.012 0.000 -9.294) 14.409 3.559 ( -14.882 0.000 -3.458) 15.278 3.659 ( 4.396 0.000 -19.699) 20.183 3.937 ( -5.861 0.000 -19.784) 20.634 4.346 ( 11.625 0.000 -3.578) 12.163 4.391 ( 12.824 0.000 6.013) 14.164 4.594 ( 7.606 0.000 5.878) 9.613 4.840 ( 6.718 0.000 -7.554) 10.110 4.985 ( -4.097 0.000 -1.804) 4.477 5.019 ( -6.951 0.000 3.823) 7.933 5.068 ( 7.907 0.000 -3.485) 8.641 5.196 ( -2.752 0.000 -6.223) 6.805 5.295 ( -1.427 0.000 -4.490) 4.711 5.377 ( -1.784 0.000 -9.353) 9.521 5.623 ( -3.372 0.000 12.841) 13.276 5.741 ( 1.718 0.000 19.357) 19.433 5.946 ( 0.923 0.000 8.167) 8.219 6.094 ( 1.195 0.000 -5.497) 5.626 6.166 ( 1.015 0.000 -2.515) 2.712 6.175 ( 0.722 0.000 -2.347) 2.456 6.198 ( 0.151 0.000 -8.883) 8.885 6.659 ( -14.785 0.000 21.305) 25.933 6.749 ( 1.628 0.000 9.001) 9.147 6.854 ( -2.106 0.000 4.083) 4.595 7.260 ( 5.699 0.000 -23.000) 23.695 7.293 ( 4.203 0.000 -0.294) 4.213 7.487 ( 1.217 0.000 -3.166) 3.392 7.545 ( -0.867 0.000 -6.347) 6.406 7.724 ( 0.929 0.000 -5.314) 5.394 7.858 ( 2.538 0.000 -10.524) 10.826 8.042 ( 2.176 0.000 0.565) 2.248 8.095 ( 1.465 0.000 -3.323) 3.632 8.412 ( -2.962 0.000 3.426) 4.529 8.565 ( -3.995 0.000 -5.153) 6.520 9.063 ( 2.028 0.000 0.401) 2.068 9.077 ( 1.653 0.000 6.436) 6.645 9.200 ( -3.340 0.000 2.015) 3.900 9.298 ( -6.120 0.000 -7.211) 9.458 9.416 ( 3.866 0.000 0.537) 3.903 9.563 ( -1.980 0.000 -4.932) 5.315 9.657 ( 2.239 0.000 -1.508) 2.700 9.780 ( 1.383 0.000 -9.255) 9.358 11.538 ( 1.354 0.000 2.873) 3.176 11.624 ( -1.689 0.000 -1.089) 2.010 12.015 ( 1.411 0.000 4.013) 4.254 12.088 ( -1.173 0.000 0.660) 1.346 12.982 ( 6.429 0.000 6.765) 9.333 13.059 ( 7.781 0.000 2.707) 8.238 13.351 ( 0.257 0.000 0.061) 0.264 13.366 ( -0.266 0.000 -0.597) 0.653 13.702 ( -3.385 0.000 6.060) 6.941 13.855 ( -4.145 0.000 -1.268) 4.335 14.787 ( 0.071 0.000 -1.213) 1.215 14.789 ( 0.024 0.000 -1.219) 1.219 14.947 ( -0.562 0.000 -0.809) 0.985 15.019 ( -3.020 0.000 -2.683) 4.040 15.280 ( 0.471 0.000 4.771) 4.794 15.428 ( -4.570 0.000 -2.280) 5.107 16.704 ( 5.508 0.000 8.684) 10.283 17.003 ( -5.044 0.000 -4.023) 6.452 17.654 ( 0.883 0.000 -3.581) 3.689 17.765 ( -2.026 0.000 -8.259) 8.503 23.645 ( 0.680 0.000 1.661) 1.794 23.697 ( -1.365 0.000 -0.437) 1.433 23.793 ( 1.382 0.000 0.206) 1.397 23.846 ( -0.719 0.000 -2.007) 2.132 24.319 ( 0.128 0.000 0.013) 0.128 24.336 ( -0.177 0.000 -0.869) 0.887 24.594 ( 0.323 0.000 1.021) 1.071 24.642 ( -1.198 0.000 -1.455) 1.884 26.526 ( 6.980 0.000 3.315) 7.727 26.650 ( 10.858 0.000 -2.007) 11.042 27.250 ( -10.039 0.000 6.769) 12.108 27.619 ( -15.182 0.000 -10.542) 18.483 28.905 ( 4.811 0.000 8.515) 9.780 29.054 ( 2.838 0.000 1.797) 3.359 29.792 ( 8.831 0.000 9.238) 12.780 30.208 ( -5.526 0.000 -10.991) 12.302 ======================= Grid point 182 (63/90) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( -4.719 0.000 14.247) 15.009 2.826 ( 4.719 0.000 14.247) 15.009 3.081 ( -9.998 0.000 10.946) 14.825 3.081 ( 9.998 0.000 10.947) 14.825 3.131 ( -3.987 0.000 4.051) 5.684 3.131 ( 3.987 0.000 4.051) 5.684 3.336 ( -4.509 0.000 -4.226) 6.180 3.336 ( 4.509 0.000 -4.226) 6.180 3.788 ( -6.695 0.000 -19.238) 20.370 3.788 ( 6.695 0.000 -19.238) 20.370 4.509 ( -4.067 0.000 -5.284) 6.668 4.509 ( 4.067 0.000 -5.284) 6.668 4.801 ( -9.736 0.000 3.423) 10.320 4.801 ( 9.736 0.000 3.423) 10.320 5.041 ( -9.173 0.000 8.588) 12.566 5.041 ( 9.173 0.000 8.588) 12.566 5.043 ( -8.419 0.000 -6.842) 10.849 5.043 ( 8.419 0.000 -6.842) 10.849 5.326 ( -2.453 0.000 -6.231) 6.697 5.326 ( 2.453 0.000 -6.231) 6.697 5.671 ( -8.627 0.000 -0.814) 8.665 5.671 ( 8.627 0.000 -0.814) 8.665 6.097 ( -6.610 0.000 2.328) 7.007 6.097 ( 6.610 0.000 2.328) 7.007 6.183 ( -0.206 0.000 -2.404) 2.413 6.183 ( 0.206 0.000 -2.404) 2.413 6.278 ( -14.316 0.000 20.211) 24.768 6.278 ( 14.316 0.000 20.211) 24.768 6.798 ( -2.611 0.000 6.704) 7.194 6.798 ( 2.611 0.000 6.704) 7.194 7.347 ( -0.522 0.000 -12.035) 12.046 7.347 ( 0.522 0.000 -12.035) 12.046 7.518 ( -1.427 0.000 -5.061) 5.259 7.518 ( 1.427 0.000 -5.061) 5.259 7.809 ( -5.448 0.000 -10.868) 12.157 7.809 ( 5.448 0.000 -10.868) 12.157 8.113 ( -2.195 0.000 2.285) 3.168 8.113 ( 2.195 0.000 2.285) 3.168 8.415 ( -5.701 0.000 -1.926) 6.018 8.415 ( 5.701 0.000 -1.926) 6.018 9.129 ( -2.852 0.000 5.123) 5.863 9.129 ( 2.852 0.000 5.123) 5.863 9.169 ( -6.035 0.000 -4.519) 7.539 9.169 ( 6.035 0.000 -4.519) 7.539 9.500 ( -3.454 0.000 -3.023) 4.590 9.500 ( 3.454 0.000 -3.023) 4.590 9.738 ( -4.026 0.000 -5.740) 7.011 9.738 ( 4.026 0.000 -5.740) 7.011 11.579 ( -2.097 0.000 1.205) 2.419 11.579 ( 2.097 0.000 1.205) 2.419 12.053 ( -1.772 0.000 1.997) 2.670 12.053 ( 1.772 0.000 1.997) 2.670 13.127 ( -3.693 0.000 5.337) 6.490 13.127 ( 3.693 0.000 5.337) 6.490 13.358 ( -0.370 0.000 -0.255) 0.449 13.358 ( 0.370 0.000 -0.255) 0.449 13.719 ( -5.816 0.000 0.747) 5.864 13.719 ( 5.816 0.000 0.747) 5.864 14.789 ( -0.033 0.000 -1.216) 1.216 14.789 ( 0.033 0.000 -1.216) 1.216 14.959 ( -1.821 0.000 -1.414) 2.306 14.959 ( 1.821 0.000 -1.414) 2.306 15.324 ( -3.710 0.000 1.905) 4.171 15.324 ( 3.710 0.000 1.905) 4.171 16.856 ( -7.361 0.000 4.426) 8.589 16.856 ( 7.361 0.000 4.426) 8.589 17.702 ( -3.064 0.000 -7.782) 8.363 17.702 ( 3.064 0.000 -7.782) 8.363 23.667 ( -1.210 0.000 0.901) 1.509 23.667 ( 1.210 0.000 0.901) 1.509 23.824 ( -1.250 0.000 -1.188) 1.724 23.824 ( 1.250 0.000 -1.188) 1.724 24.327 ( -0.528 0.000 -0.501) 0.728 24.327 ( 0.528 0.000 -0.501) 0.728 24.612 ( -1.245 0.000 -0.254) 1.270 24.612 ( 1.245 0.000 -0.254) 1.270 26.726 ( -7.679 0.000 5.145) 9.243 26.726 ( 7.679 0.000 5.145) 9.243 27.248 ( -13.661 0.000 -6.877) 15.294 27.248 ( 13.661 0.000 -6.877) 15.294 29.029 ( -4.506 0.000 7.264) 8.548 29.029 ( 4.506 0.000 7.264) 8.548 30.025 ( -10.375 0.000 -3.057) 10.816 30.025 ( 10.375 0.000 -3.057) 10.816 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 0.000 7.353 27.646) 28.607 2.714 ( 0.000 4.283 24.708) 25.076 3.030 ( 0.000 15.729 2.050) 15.862 3.251 ( 0.000 11.814 -7.499) 13.993 3.346 ( 0.000 2.951 6.248) 6.910 3.420 ( 0.000 7.120 3.225) 7.816 3.665 ( 0.000 4.709 -18.830) 19.409 3.727 ( 0.000 10.686 6.270) 12.390 3.833 ( 0.000 -4.640 -10.905) 11.851 4.067 ( 0.000 -1.476 1.903) 2.408 4.078 ( 0.000 -0.409 -0.973) 1.055 4.202 ( 0.000 12.761 -12.788) 18.065 4.525 ( 0.000 3.074 7.056) 7.696 4.749 ( 0.000 -0.658 -3.881) 3.936 4.914 ( 0.000 -4.013 -0.809) 4.093 4.976 ( 0.000 -5.275 -0.121) 5.277 5.142 ( 0.000 0.817 -1.709) 1.895 5.220 ( 0.000 3.773 -0.767) 3.850 5.338 ( 0.000 0.042 -6.564) 6.564 5.428 ( 0.000 2.723 -12.317) 12.614 5.626 ( 0.000 2.290 22.412) 22.529 5.868 ( 0.000 -1.972 3.542) 4.054 5.902 ( 0.000 4.629 12.361) 13.200 6.045 ( 0.000 -5.384 -3.096) 6.211 6.090 ( 0.000 -0.707 -4.653) 4.706 6.200 ( 0.000 3.649 -4.563) 5.843 6.247 ( 0.000 0.533 -7.228) 7.248 6.682 ( 0.000 -4.787 9.571) 10.701 6.815 ( 0.000 -0.705 11.498) 11.520 6.929 ( 0.000 3.941 -4.292) 5.827 7.144 ( 0.000 -4.451 -0.279) 4.460 7.173 ( 0.000 -4.197 -16.343) 16.873 7.563 ( 0.000 2.910 -5.969) 6.641 7.564 ( 0.000 6.804 -0.595) 6.830 7.739 ( 0.000 -1.703 -4.415) 4.732 7.782 ( 0.000 -0.301 -6.048) 6.056 8.005 ( 0.000 -0.245 -0.295) 0.383 8.096 ( 0.000 0.664 -6.679) 6.712 8.427 ( 0.000 -1.740 2.389) 2.955 8.522 ( 0.000 -6.090 -1.758) 6.338 8.998 ( 0.000 -5.271 1.052) 5.375 9.023 ( 0.000 -3.782 4.415) 5.813 9.245 ( 0.000 -8.472 4.406) 9.549 9.246 ( 0.000 -1.452 -1.189) 1.877 9.429 ( 0.000 2.188 -5.829) 6.226 9.477 ( 0.000 -5.916 -5.325) 7.960 9.745 ( 0.000 2.179 -7.048) 7.378 9.755 ( 0.000 3.814 -2.355) 4.483 11.587 ( 0.000 6.296 2.147) 6.652 11.664 ( 0.000 2.131 -1.514) 2.614 12.010 ( 0.000 0.919 4.456) 4.550 12.102 ( 0.000 0.231 0.162) 0.282 12.956 ( 0.000 4.205 6.279) 7.557 12.990 ( 0.000 4.693 4.487) 6.493 13.368 ( 0.000 1.707 0.275) 1.729 13.382 ( 0.000 0.864 -0.184) 0.884 13.737 ( 0.000 -1.852 6.500) 6.758 13.907 ( 0.000 1.765 -2.018) 2.680 14.758 ( 0.000 -2.952 -0.542) 3.001 14.786 ( 0.000 -0.193 -1.996) 2.005 14.970 ( 0.000 1.208 -0.040) 1.208 15.087 ( 0.000 2.791 -2.933) 4.048 15.274 ( 0.000 -0.640 4.395) 4.442 15.469 ( 0.000 -1.548 -4.180) 4.457 16.647 ( 0.000 1.023 9.132) 9.189 17.035 ( 0.000 -2.531 -9.112) 9.457 17.535 ( 0.000 -10.896 1.302) 10.974 17.698 ( 0.000 -8.564 -7.788) 11.576 23.771 ( 0.000 12.404 -0.689) 12.423 23.796 ( 0.000 5.633 -1.660) 5.872 23.800 ( 0.000 2.798 1.019) 2.978 23.866 ( 0.000 3.521 -2.033) 4.066 24.365 ( 0.000 4.008 0.753) 4.078 24.410 ( 0.000 6.485 -1.522) 6.662 24.585 ( 0.000 -0.348 1.408) 1.450 24.642 ( 0.000 -1.235 -1.586) 2.010 26.454 ( 0.000 -0.974 0.455) 1.075 26.475 ( 0.000 -1.118 -0.505) 1.227 27.402 ( 0.000 0.046 8.725) 8.726 27.783 ( 0.000 -2.265 -9.765) 10.024 28.870 ( 0.000 -0.300 5.483) 5.491 28.941 ( 0.000 -2.234 1.160) 2.517 29.674 ( 0.000 -1.281 15.544) 15.596 30.199 ( 0.000 -6.733 -11.409) 13.248 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 5.480 6.961 23.605) 25.213 2.842 ( 10.307 2.629 20.158) 22.792 3.008 ( -2.257 12.497 4.999) 13.648 3.243 ( -0.978 10.143 -4.137) 10.998 3.274 ( -5.648 5.186 2.687) 8.125 3.366 ( -3.148 7.163 3.650) 8.634 3.472 ( -14.023 4.666 -1.412) 14.846 3.560 ( -11.161 4.673 -2.512) 12.358 3.732 ( 4.297 5.968 -16.780) 18.321 4.039 ( -6.971 8.230 -15.902) 19.215 4.338 ( 12.852 -0.906 -2.369) 13.099 4.358 ( 10.135 -2.160 3.589) 10.967 4.620 ( 7.584 2.861 8.062) 11.432 4.809 ( 3.232 -3.360 -3.370) 5.752 4.911 ( -5.003 -5.394 -2.923) 7.917 5.023 ( -3.100 1.015 0.393) 3.285 5.070 ( 6.852 0.266 -2.938) 7.460 5.234 ( -2.351 2.376 -8.559) 9.189 5.330 ( 2.338 4.097 -2.612) 5.392 5.431 ( 0.734 4.632 -10.144) 11.176 5.609 ( -4.292 -0.409 12.421) 13.148 5.775 ( -3.341 1.006 10.436) 11.004 5.940 ( 3.176 0.571 15.007) 15.350 6.091 ( 2.008 0.870 -4.157) 4.698 6.104 ( 2.448 -3.477 0.569) 4.290 6.205 ( 0.627 2.648 -4.275) 5.068 6.258 ( -0.288 1.495 -7.004) 7.167 6.634 ( -9.928 -2.248 16.843) 19.681 6.739 ( -1.233 -0.022 10.124) 10.199 6.861 ( -3.534 0.136 1.289) 3.764 7.213 ( 5.100 -3.983 -19.298) 20.354 7.247 ( 3.959 -4.633 -5.862) 8.456 7.533 ( -1.047 2.704 -2.815) 4.041 7.552 ( -0.970 2.625 -3.333) 4.352 7.774 ( 2.854 4.629 -6.114) 8.183 7.852 ( 3.631 -0.982 -7.943) 8.789 8.026 ( 2.878 -0.951 1.333) 3.311 8.111 ( 1.284 1.249 -4.064) 4.441 8.368 ( -4.118 -4.024 3.093) 6.536 8.507 ( -3.495 -5.209 -4.577) 7.765 8.997 ( 0.637 -4.835 1.275) 5.040 9.051 ( 1.690 -3.772 1.417) 4.370 9.180 ( -1.926 -2.491 4.105) 5.174 9.314 ( 1.845 -5.466 -3.146) 6.571 9.335 ( -3.481 0.773 -2.615) 4.422 9.466 ( -2.166 -6.064 -5.364) 8.381 9.729 ( 0.765 2.925 -2.667) 4.032 9.801 ( 0.535 0.788 -6.244) 6.317 11.610 ( 1.913 6.896 1.940) 7.414 11.674 ( 0.307 4.704 -1.065) 4.833 12.009 ( 0.330 -0.431 3.782) 3.821 12.082 ( -1.690 -0.274 0.414) 1.762 12.998 ( 3.572 1.432 6.292) 7.376 13.051 ( 3.232 -0.381 3.279) 4.619 13.402 ( 3.115 3.941 1.094) 5.141 13.444 ( 5.865 6.263 -0.704) 8.610 13.681 ( -4.390 -1.303 6.369) 7.844 13.857 ( -4.859 1.136 -2.426) 5.548 14.759 ( 0.154 -2.912 -0.578) 2.973 14.782 ( -0.399 -0.600 -1.727) 1.871 14.957 ( -0.449 1.089 -0.572) 1.310 15.042 ( -3.494 2.255 -3.107) 5.191 15.274 ( 0.525 -0.575 4.559) 4.625 15.416 ( -4.298 -1.174 -2.239) 4.986 16.707 ( 4.935 0.364 7.915) 9.335 16.979 ( -4.813 -2.351 -3.505) 6.402 17.552 ( 1.733 -9.678 -2.633) 10.179 17.675 ( -2.082 -8.680 -8.040) 12.013 23.769 ( -0.115 10.983 -0.155) 10.984 23.781 ( -0.647 6.613 0.326) 6.652 23.818 ( 0.936 2.715 -1.144) 3.091 23.859 ( -0.621 3.374 -2.097) 4.021 24.370 ( 0.542 4.564 0.591) 4.634 24.407 ( -0.434 6.430 -1.263) 6.567 24.586 ( 0.268 -0.513 0.920) 1.087 24.629 ( -1.076 -1.138 -1.292) 2.030 26.521 ( 7.250 -0.468 3.026) 7.870 26.638 ( 11.118 -1.197 -2.083) 11.375 27.242 ( -10.806 -0.733 6.492) 12.628 27.591 ( -15.514 -2.921 -9.996) 18.685 28.912 ( 5.681 0.701 8.572) 10.307 29.059 ( 4.310 0.486 1.750) 4.678 29.750 ( 7.002 -3.995 9.715) 12.624 30.137 ( -5.624 -6.951 -9.087) 12.748 ======================= Grid point 187 (66/90) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( -5.743 6.652 13.510) 16.117 2.910 ( 5.743 6.652 13.510) 16.117 3.113 ( -11.588 4.145 11.203) 16.642 3.113 ( 11.588 4.145 11.203) 16.642 3.228 ( -1.537 6.606 -3.606) 7.681 3.228 ( 1.537 6.606 -3.606) 7.681 3.394 ( -4.330 8.474 0.633) 9.537 3.394 ( 4.330 8.474 0.633) 9.537 3.867 ( -7.323 6.710 -16.338) 19.120 3.867 ( 7.323 6.710 -16.338) 19.120 4.492 ( -2.468 -1.274 -5.184) 5.881 4.492 ( 2.468 -1.274 -5.184) 5.881 4.801 ( -6.465 -4.099 6.287) 9.906 4.801 ( 6.465 -4.099 6.287) 9.906 4.882 ( -3.743 -2.248 0.424) 4.387 4.882 ( 3.743 -2.248 0.424) 4.387 5.181 ( -1.282 5.630 -4.933) 7.594 5.181 ( 1.282 5.630 -4.933) 7.594 5.414 ( -3.555 7.906 -3.242) 9.255 5.414 ( 3.555 7.906 -3.242) 9.255 5.634 ( -8.866 -3.354 -1.034) 9.535 5.634 ( 8.866 -3.354 -1.034) 9.535 6.073 ( -4.931 -1.671 6.117) 8.032 6.073 ( 4.931 -1.671 6.117) 8.032 6.199 ( -4.415 -2.067 -1.591) 5.128 6.199 ( 4.415 -2.067 -1.591) 5.128 6.320 ( -11.901 6.486 15.929) 20.915 6.320 ( 11.901 6.486 15.929) 20.915 6.785 ( -3.253 -1.296 4.241) 5.500 6.785 ( 3.253 -1.296 4.241) 5.500 7.290 ( -0.761 -5.441 -13.151) 14.252 7.290 ( 0.761 -5.441 -13.151) 14.252 7.532 ( -0.644 1.606 -2.929) 3.402 7.532 ( 0.644 1.606 -2.929) 3.402 7.853 ( -3.210 4.070 -8.726) 10.150 7.853 ( 3.210 4.070 -8.726) 10.150 8.120 ( -3.197 0.539 1.817) 3.716 8.120 ( 3.197 0.539 1.817) 3.716 8.358 ( -6.188 -5.533 -2.441) 8.652 8.358 ( 6.188 -5.533 -2.441) 8.652 9.037 ( -2.388 -5.582 0.983) 6.151 9.037 ( 2.388 -5.582 0.983) 6.151 9.227 ( -4.934 2.240 -0.460) 5.438 9.227 ( 4.934 2.240 -0.460) 5.438 9.396 ( -3.614 -8.087 -4.080) 9.752 9.396 ( 3.614 -8.087 -4.080) 9.752 9.770 ( -2.454 1.147 -4.297) 5.079 9.770 ( 2.454 1.147 -4.297) 5.079 11.657 ( -1.799 7.374 0.769) 7.629 11.657 ( 1.799 7.374 0.769) 7.629 12.037 ( -2.007 -1.300 1.697) 2.932 12.037 ( 2.007 -1.300 1.697) 2.932 13.069 ( -1.699 -3.506 4.263) 5.775 13.069 ( 1.699 -3.506 4.263) 5.775 13.503 ( -4.690 10.475 2.619) 11.772 13.503 ( 4.690 10.475 2.619) 11.772 13.690 ( -8.464 -1.492 -0.652) 8.620 13.690 ( 8.464 -1.492 -0.652) 8.620 14.768 ( -0.678 -2.084 -1.088) 2.447 14.768 ( 0.678 -2.084 -1.088) 2.447 14.974 ( -2.014 1.435 -1.729) 3.018 14.974 ( 2.014 1.435 -1.729) 3.018 15.317 ( -3.544 -0.676 1.766) 4.017 15.317 ( 3.544 -0.676 1.766) 4.017 16.843 ( -6.646 -1.122 4.126) 7.902 16.843 ( 6.646 -1.122 4.126) 7.902 17.611 ( -3.207 -8.737 -7.145) 11.733 17.611 ( 3.207 -8.737 -7.145) 11.733 23.770 ( -0.304 8.737 0.469) 8.755 23.770 ( 0.304 8.737 0.469) 8.755 23.840 ( -1.003 2.762 -1.859) 3.477 23.840 ( 1.003 2.762 -1.859) 3.477 24.389 ( -1.039 5.763 -0.244) 5.861 24.389 ( 1.039 5.763 -0.244) 5.861 24.602 ( -1.119 -0.864 -0.334) 1.452 24.602 ( 1.119 -0.864 -0.334) 1.452 26.726 ( -7.716 0.135 4.726) 9.049 26.726 ( 7.716 0.135 4.726) 9.049 27.217 ( -13.343 -3.098 -6.445) 15.138 27.217 ( 13.343 -3.098 -6.445) 15.138 29.049 ( -4.641 2.067 7.173) 8.790 29.049 ( 4.641 2.067 7.173) 8.790 29.956 ( -9.860 -6.748 -1.874) 12.094 29.956 ( 9.860 -6.748 -1.874) 12.094 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( 0.000 8.816 20.288) 22.121 2.875 ( 0.000 9.220 21.551) 23.440 3.362 ( 0.000 1.091 4.886) 5.006 3.415 ( 0.000 21.870 2.571) 22.020 3.526 ( 0.000 9.284 -3.701) 9.994 3.638 ( 0.000 18.128 -6.606) 19.294 3.681 ( 0.000 -5.757 -11.168) 12.564 3.777 ( 0.000 0.299 -11.623) 11.627 3.975 ( 0.000 8.686 10.305) 13.477 4.063 ( 0.000 3.971 7.668) 8.635 4.103 ( 0.000 3.746 -2.169) 4.328 4.372 ( 0.000 2.427 -2.956) 3.824 4.690 ( 0.000 12.334 -0.548) 12.347 4.705 ( 0.000 -3.469 0.305) 3.483 4.831 ( 0.000 -3.460 5.089) 6.154 4.896 ( 0.000 -2.609 -9.025) 9.395 5.094 ( 0.000 -5.222 -9.667) 10.988 5.319 ( 0.000 6.055 -2.777) 6.662 5.426 ( 0.000 8.848 -0.507) 8.863 5.435 ( 0.000 -2.042 0.030) 2.042 5.715 ( 0.000 7.325 2.679) 7.800 5.820 ( 0.000 -1.808 0.426) 1.858 5.962 ( 0.000 -3.581 1.776) 3.997 5.995 ( 0.000 0.921 6.556) 6.621 6.129 ( 0.000 6.766 12.201) 13.951 6.202 ( 0.000 -4.020 -8.373) 9.288 6.245 ( 0.000 -0.208 -4.774) 4.779 6.591 ( 0.000 -2.210 0.738) 2.330 6.778 ( 0.000 -3.464 11.012) 11.544 6.946 ( 0.000 -6.557 -8.103) 10.424 7.081 ( 0.000 -1.742 -2.315) 2.897 7.118 ( 0.000 2.939 -15.315) 15.594 7.663 ( 0.000 1.413 -1.362) 1.963 7.675 ( 0.000 0.050 -2.376) 2.377 7.691 ( 0.000 4.371 -4.847) 6.527 7.759 ( 0.000 -0.320 -2.922) 2.940 8.052 ( 0.000 4.307 -2.571) 5.016 8.072 ( 0.000 -3.137 -2.594) 4.071 8.397 ( 0.000 -5.250 1.495) 5.458 8.426 ( 0.000 2.047 -2.296) 3.076 8.874 ( 0.000 -6.773 0.175) 6.775 8.913 ( 0.000 -6.900 1.348) 7.030 9.093 ( 0.000 -6.423 3.727) 7.426 9.176 ( 0.000 -5.444 -0.315) 5.454 9.404 ( 0.000 -1.654 -3.880) 4.218 9.473 ( 0.000 2.024 -4.602) 5.027 9.730 ( 0.000 -3.879 -3.931) 5.523 9.770 ( 0.000 -2.424 -2.235) 3.297 11.732 ( 0.000 4.760 0.522) 4.788 11.751 ( 0.000 9.816 -0.368) 9.823 12.023 ( 0.000 0.326 3.632) 3.647 12.115 ( 0.000 1.127 -0.430) 1.206 13.051 ( 0.000 4.916 7.043) 8.589 13.092 ( 0.000 5.041 4.936) 7.056 13.367 ( 0.000 -3.178 1.876) 3.691 13.375 ( 0.000 -2.444 1.126) 2.691 13.734 ( 0.000 3.184 6.417) 7.164 13.982 ( 0.000 5.810 -6.490) 8.711 14.685 ( 0.000 -4.082 0.450) 4.107 14.772 ( 0.000 -1.342 -4.038) 4.256 15.013 ( 0.000 3.193 1.828) 3.679 15.163 ( 0.000 4.695 -3.154) 5.656 15.255 ( 0.000 -1.323 3.802) 4.025 15.431 ( 0.000 -2.220 -3.764) 4.370 16.679 ( 0.000 2.267 6.492) 6.876 16.966 ( 0.000 -4.358 -7.057) 8.294 17.285 ( 0.000 -12.991 2.853) 13.300 17.481 ( 0.000 -12.748 -7.712) 14.899 23.854 ( 0.000 2.791 -0.735) 2.886 23.876 ( 0.000 4.796 -1.040) 4.908 24.052 ( 0.000 13.662 -3.238) 14.040 24.052 ( 0.000 12.619 -2.432) 12.851 24.417 ( 0.000 -0.195 1.701) 1.712 24.506 ( 0.000 0.319 -2.669) 2.688 24.620 ( 0.000 5.003 0.691) 5.050 24.653 ( 0.000 4.442 -1.103) 4.576 26.432 ( 0.000 -1.161 0.141) 1.169 26.447 ( 0.000 -1.529 -0.499) 1.609 27.408 ( 0.000 0.775 6.832) 6.876 27.716 ( 0.000 -4.456 -8.478) 9.577 28.861 ( 0.000 -0.621 5.686) 5.720 28.890 ( 0.000 -2.631 4.044) 4.825 29.650 ( 0.000 -0.828 13.117) 13.143 30.033 ( 0.000 -9.514 -6.174) 11.342 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( 4.116 5.793 14.588) 16.227 2.957 ( 7.703 8.153 18.286) 21.452 3.213 ( -9.289 4.819 5.325) 11.742 3.378 ( -4.234 7.778 -3.508) 9.526 3.465 ( -9.402 3.089 -6.730) 11.968 3.503 ( -6.091 10.199 6.034) 13.323 3.638 ( 0.834 19.499 -4.530) 20.035 3.787 ( -4.117 8.676 -9.671) 13.629 3.844 ( -0.465 7.862 3.437) 8.594 4.114 ( -3.108 -2.891 -4.796) 6.405 4.320 ( 8.127 0.596 2.050) 8.402 4.357 ( 7.599 1.090 -4.568) 8.933 4.726 ( 2.905 -0.860 -2.256) 3.777 4.744 ( -0.483 6.946 12.711) 14.493 4.841 ( -2.367 -0.801 -6.175) 6.661 5.034 ( 14.285 -3.963 -1.615) 14.912 5.080 ( -1.679 3.762 -2.277) 4.707 5.293 ( -0.570 3.667 -8.962) 9.700 5.436 ( 0.400 -3.021 0.179) 3.053 5.473 ( 3.297 9.044 -1.240) 9.706 5.709 ( -2.298 10.249 -2.259) 10.743 5.757 ( -4.761 -1.341 1.113) 5.070 5.942 ( 1.031 -1.271 8.326) 8.485 6.028 ( 1.817 -4.160 6.207) 7.689 6.140 ( -1.168 1.585 3.395) 3.924 6.196 ( -1.448 -3.249 -4.502) 5.737 6.304 ( 6.144 4.369 3.172) 8.179 6.592 ( -0.853 -0.355 1.382) 1.662 6.760 ( -2.064 1.035 9.442) 9.720 6.837 ( -5.775 -3.581 -3.017) 7.435 7.118 ( 2.212 -5.804 -10.395) 12.109 7.161 ( 1.924 -1.815 -11.602) 11.899 7.572 ( -2.069 1.058 -0.414) 2.360 7.631 ( -3.199 4.167 -2.137) 5.671 7.826 ( 7.177 -1.228 -3.884) 8.252 7.877 ( 7.884 4.826 -6.940) 11.559 8.025 ( 0.252 0.809 0.276) 0.892 8.111 ( 1.930 -1.774 -2.673) 3.744 8.281 ( -7.493 -3.713 3.273) 8.980 8.417 ( -4.006 -2.457 -5.199) 7.008 8.895 ( 1.767 -5.222 0.479) 5.534 8.958 ( 2.467 -5.162 -1.380) 5.885 9.077 ( 0.190 -6.657 4.282) 7.917 9.195 ( 1.265 -6.214 -1.175) 6.450 9.358 ( -2.961 -0.307 -2.946) 4.188 9.403 ( -5.290 0.763 -5.052) 7.355 9.721 ( -0.022 -3.773 -2.272) 4.404 9.774 ( -0.700 -3.897 -3.488) 5.277 11.776 ( 2.870 8.182 0.394) 8.680 11.790 ( 3.346 7.748 -0.418) 8.450 12.008 ( -0.957 0.455 3.291) 3.458 12.088 ( -2.406 1.009 -0.273) 2.623 13.031 ( -1.048 1.836 5.793) 6.167 13.059 ( -2.056 1.338 4.141) 4.813 13.426 ( 4.318 -3.191 3.157) 6.228 13.460 ( 4.975 -5.743 2.368) 7.959 13.755 ( 2.543 9.617 4.556) 10.941 13.960 ( -2.292 9.677 -5.591) 11.409 14.682 ( 0.037 -4.634 0.528) 4.664 14.760 ( -1.502 -1.861 -3.246) 4.032 14.992 ( -0.662 2.561 0.391) 2.674 15.103 ( -4.654 3.773 -3.659) 7.021 15.257 ( 0.669 -1.157 4.144) 4.354 15.385 ( -3.765 -1.901 -2.086) 4.705 16.724 ( 3.711 1.570 5.640) 6.932 16.922 ( -3.568 -2.974 -2.513) 5.281 17.321 ( 2.833 -12.706 -1.247) 13.078 17.457 ( -2.045 -12.681 -7.416) 14.833 23.860 ( 0.435 3.128 -0.644) 3.223 23.874 ( -0.130 4.602 -0.802) 4.673 24.022 ( -1.293 11.767 -2.047) 12.013 24.043 ( -1.420 11.549 -3.302) 12.095 24.448 ( 2.665 2.121 1.585) 3.757 24.528 ( 1.408 3.155 -2.286) 4.142 24.602 ( -1.505 3.348 0.534) 3.709 24.633 ( -1.583 3.629 -1.033) 4.091 26.513 ( 8.126 -0.186 2.165) 8.412 26.608 ( 11.775 -1.701 -2.198) 12.099 27.228 ( -12.851 -0.474 5.439) 13.963 27.509 ( -16.212 -5.224 -8.182) 18.897 28.934 ( 8.151 1.680 8.556) 11.936 29.071 ( 8.456 0.575 1.869) 8.679 29.656 ( 1.748 -4.847 10.325) 11.539 29.962 ( -6.158 -10.105 -4.709) 12.736 ======================= Grid point 192 (69/90) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( -6.810 4.856 7.781) 11.423 3.020 ( 6.810 4.856 7.781) 11.423 3.203 ( -12.273 2.891 3.751) 13.155 3.203 ( 12.273 2.891 3.751) 13.155 3.363 ( -3.183 8.707 2.919) 9.720 3.363 ( 3.183 8.707 2.919) 9.720 3.685 ( -3.185 18.605 -0.366) 18.880 3.685 ( 3.185 18.605 -0.366) 18.880 3.957 ( -7.207 0.129 -9.077) 11.591 3.957 ( 7.207 0.129 -9.077) 11.591 4.470 ( -0.591 -1.073 -4.515) 4.679 4.470 ( 0.591 -1.073 -4.515) 4.679 4.708 ( -1.362 -0.727 6.226) 6.415 4.708 ( 1.362 -0.727 6.226) 6.415 4.951 ( -7.708 6.288 1.218) 10.022 4.951 ( 7.708 6.288 1.218) 10.022 5.273 ( -4.630 2.657 -4.483) 6.971 5.273 ( 4.630 2.657 -4.483) 6.971 5.505 ( -3.453 -2.874 -1.856) 4.861 5.505 ( 3.453 -2.874 -1.856) 4.861 5.651 ( -1.468 9.973 -4.737) 11.138 5.651 ( 1.468 9.973 -4.737) 11.138 6.019 ( -4.974 -4.286 11.449) 13.198 6.019 ( 4.974 -4.286 11.449) 13.198 6.136 ( -3.719 -2.918 -2.506) 5.350 6.136 ( 3.719 -2.918 -2.506) 5.350 6.473 ( -8.175 7.350 9.352) 14.433 6.473 ( 8.175 7.350 9.352) 14.433 6.757 ( -2.291 -1.019 -0.803) 2.633 6.757 ( 2.291 -1.019 -0.803) 2.633 7.164 ( -1.440 -6.615 -11.059) 12.967 7.164 ( 1.440 -6.615 -11.059) 12.967 7.573 ( -1.670 2.297 -1.146) 3.062 7.573 ( 1.670 2.297 -1.146) 3.062 7.955 ( -2.194 5.877 -4.984) 8.011 7.955 ( 2.194 5.877 -4.984) 8.011 8.108 ( -6.249 -3.256 2.593) 7.508 8.108 ( 6.249 -3.256 2.593) 7.508 8.238 ( -9.908 -4.596 -5.271) 12.127 8.238 ( 9.908 -4.596 -5.271) 12.127 8.943 ( -2.357 -3.713 0.595) 4.439 8.943 ( 2.357 -3.713 0.595) 4.439 9.172 ( -5.299 -8.130 -1.858) 9.881 9.172 ( 5.299 -8.130 -1.858) 9.881 9.315 ( -0.531 1.052 -2.740) 2.983 9.315 ( 0.531 1.052 -2.740) 2.983 9.740 ( -1.661 -4.411 -2.848) 5.507 9.740 ( 1.661 -4.411 -2.848) 5.507 11.830 ( -1.013 9.302 0.291) 9.362 11.830 ( 1.013 9.302 0.291) 9.362 12.021 ( -2.683 0.074 1.052) 2.883 12.021 ( 2.683 0.074 1.052) 2.883 13.026 ( -0.696 -0.763 4.312) 4.434 13.026 ( 0.696 -0.763 4.312) 4.434 13.503 ( -1.499 -8.019 4.210) 9.180 13.503 ( 1.499 -8.019 4.210) 9.180 13.863 ( -5.986 15.896 -1.408) 17.044 13.863 ( 5.986 15.896 -1.408) 17.044 14.707 ( -2.369 -4.230 -1.055) 4.962 14.707 ( 2.369 -4.230 -1.055) 4.962 15.014 ( -2.610 2.760 -2.034) 4.309 15.014 ( 2.610 2.760 -2.034) 4.309 15.297 ( -3.171 -1.441 1.424) 3.763 15.297 ( 3.171 -1.441 1.424) 3.763 16.824 ( -4.794 -0.353 2.946) 5.638 16.824 ( 4.794 -0.353 2.946) 5.638 17.394 ( -3.349 -12.538 -5.754) 14.195 17.394 ( 3.349 -12.538 -5.754) 14.195 23.870 ( -0.339 3.989 -0.513) 4.036 23.870 ( 0.339 3.989 -0.513) 4.036 24.013 ( -0.671 10.341 -2.545) 10.670 24.013 ( 0.671 10.341 -2.545) 10.670 24.517 ( -2.836 6.289 0.529) 6.919 24.517 ( 2.836 6.289 0.529) 6.919 24.594 ( -1.463 0.962 -1.071) 2.052 24.594 ( 1.463 0.962 -1.071) 2.052 26.738 ( -7.935 1.365 3.476) 8.770 26.738 ( 7.935 1.365 3.476) 8.770 27.131 ( -12.428 -5.507 -5.206) 14.556 27.131 ( 12.428 -5.507 -5.206) 14.556 29.111 ( -5.030 4.314 6.889) 9.558 29.111 ( 5.030 4.314 6.889) 9.558 29.782 ( -8.684 -10.466 0.799) 13.623 29.782 ( 8.684 -10.466 0.799) 13.623 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 0.000 10.532 13.216) 16.899 3.062 ( 0.000 9.921 13.318) 16.607 3.346 ( 0.000 -2.889 0.836) 3.007 3.497 ( 0.000 -10.498 -1.809) 10.653 3.690 ( 0.000 7.383 0.250) 7.387 3.754 ( 0.000 2.002 -6.992) 7.273 3.868 ( 0.000 16.489 5.461) 17.369 3.996 ( 0.000 -1.130 13.658) 13.705 4.018 ( 0.000 18.323 -4.210) 18.801 4.176 ( 0.000 1.445 -2.640) 3.009 4.212 ( 0.000 6.557 3.588) 7.474 4.369 ( 0.000 -0.359 -0.230) 0.426 4.638 ( 0.000 -4.559 -1.196) 4.713 4.676 ( 0.000 -8.308 -4.265) 9.339 4.852 ( 0.000 -1.348 -12.213) 12.287 4.916 ( 0.000 0.439 -5.906) 5.922 5.060 ( 0.000 7.552 1.633) 7.727 5.377 ( 0.000 -2.558 -1.092) 2.781 5.464 ( 0.000 6.851 3.384) 7.641 5.591 ( 0.000 5.297 6.656) 8.506 5.783 ( 0.000 -3.996 1.443) 4.249 5.788 ( 0.000 -2.263 8.125) 8.434 5.954 ( 0.000 3.971 -2.547) 4.718 6.015 ( 0.000 1.239 -5.463) 5.601 6.148 ( 0.000 0.801 -13.392) 13.416 6.182 ( 0.000 2.088 -6.384) 6.717 6.332 ( 0.000 8.935 18.851) 20.861 6.598 ( 0.000 0.509 -12.732) 12.742 6.685 ( 0.000 -5.576 12.355) 13.555 6.753 ( 0.000 -11.355 -11.821) 16.391 7.087 ( 0.000 2.697 -1.481) 3.076 7.187 ( 0.000 1.651 -8.348) 8.510 7.611 ( 0.000 -2.709 -1.852) 3.282 7.629 ( 0.000 -2.784 -2.424) 3.691 7.779 ( 0.000 1.107 -2.056) 2.335 7.814 ( 0.000 2.973 -6.583) 7.223 8.026 ( 0.000 0.374 1.228) 1.283 8.108 ( 0.000 0.402 -3.145) 3.171 8.378 ( 0.000 3.651 2.215) 4.271 8.479 ( 0.000 2.152 -4.266) 4.778 8.758 ( 0.000 -4.427 0.301) 4.438 8.785 ( 0.000 -5.432 0.669) 5.473 9.001 ( 0.000 -2.848 2.542) 3.817 9.064 ( 0.000 -5.275 -0.210) 5.279 9.394 ( 0.000 0.567 -1.894) 1.977 9.499 ( 0.000 0.115 -4.941) 4.943 9.619 ( 0.000 -5.783 -0.939) 5.859 9.683 ( 0.000 -5.442 -1.943) 5.778 11.842 ( 0.000 6.065 2.595) 6.597 11.937 ( 0.000 7.470 -0.965) 7.532 12.025 ( 0.000 0.715 2.329) 2.436 12.137 ( 0.000 0.527 -1.817) 1.892 13.133 ( 0.000 3.265 7.246) 7.948 13.165 ( 0.000 2.147 5.650) 6.044 13.270 ( 0.000 -5.547 3.330) 6.470 13.276 ( 0.000 -6.011 2.982) 6.710 13.867 ( 0.000 9.162 4.477) 10.198 14.083 ( 0.000 2.522 -5.867) 6.386 14.626 ( 0.000 -0.941 -1.301) 1.606 14.729 ( 0.000 -3.043 -5.880) 6.621 15.088 ( 0.000 4.195 3.411) 5.406 15.221 ( 0.000 -2.254 3.875) 4.483 15.258 ( 0.000 4.631 -3.233) 5.648 15.386 ( 0.000 -2.349 -3.289) 4.042 16.736 ( 0.000 3.446 2.958) 4.541 16.877 ( 0.000 -4.410 -3.885) 5.878 17.083 ( 0.000 -6.468 1.124) 6.565 17.235 ( 0.000 -11.536 -6.569) 13.275 23.927 ( 0.000 4.297 -0.635) 4.344 23.969 ( 0.000 3.926 -2.283) 4.541 24.259 ( 0.000 8.224 -1.687) 8.395 24.277 ( 0.000 7.864 -3.690) 8.687 24.379 ( 0.000 -2.239 2.052) 3.037 24.448 ( 0.000 -4.418 -1.381) 4.629 24.743 ( 0.000 5.961 -1.337) 6.109 24.766 ( 0.000 5.036 -2.410) 5.583 26.414 ( 0.000 -0.615 -0.281) 0.676 26.421 ( 0.000 -1.035 -0.503) 1.151 27.439 ( 0.000 2.566 3.511) 4.349 27.615 ( 0.000 -5.591 -5.411) 7.781 28.847 ( 0.000 -0.722 6.271) 6.312 28.850 ( 0.000 -1.367 6.223) 6.371 29.655 ( 0.000 1.655 9.369) 9.514 29.854 ( 0.000 -8.304 -0.460) 8.317 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 1.114 7.122 7.767) 10.597 3.117 ( 3.948 7.660 8.885) 12.377 3.251 ( -5.966 0.056 0.392) 5.979 3.391 ( -7.293 -3.096 -3.046) 8.488 3.563 ( -6.262 6.290 1.025) 8.935 3.757 ( -11.203 8.403 10.031) 17.226 3.806 ( 1.193 -0.740 -5.738) 5.907 3.901 ( -4.631 -3.832 9.868) 11.555 4.060 ( 0.250 15.528 -6.665) 16.900 4.123 ( -3.088 10.700 -2.368) 11.386 4.337 ( 7.452 -0.708 -2.734) 7.969 4.378 ( 5.584 2.547 -1.713) 6.372 4.665 ( 2.715 -3.206 -0.243) 4.208 4.856 ( 6.068 -2.294 -4.739) 8.034 4.922 ( 9.704 -2.913 0.930) 10.174 4.959 ( 0.945 9.849 9.437) 13.673 5.132 ( 6.873 0.398 -6.750) 9.642 5.347 ( -1.955 -1.304 -3.088) 3.881 5.385 ( -4.923 3.040 3.615) 6.823 5.631 ( -2.452 0.952 4.300) 5.040 5.746 ( 1.486 1.490 0.243) 2.118 5.824 ( 2.820 -1.297 4.343) 5.338 5.970 ( 0.841 0.485 2.801) 2.964 5.998 ( -2.566 4.819 -4.273) 6.932 6.128 ( -1.645 2.009 -8.215) 8.616 6.160 ( -1.521 2.329 -8.816) 9.245 6.402 ( 4.938 3.592 13.751) 15.046 6.616 ( 1.156 0.913 -8.494) 8.621 6.697 ( -2.274 -9.111 -8.740) 12.828 6.770 ( 5.333 -0.359 7.021) 8.824 7.052 ( -2.727 0.018 -2.812) 3.917 7.151 ( -3.364 -0.571 -7.204) 7.971 7.590 ( 0.542 1.490 0.605) 1.697 7.690 ( -0.740 1.987 -3.728) 4.289 7.781 ( 4.702 -3.528 -0.242) 5.883 7.915 ( 6.923 -2.921 -7.726) 10.777 8.027 ( 0.789 0.839 1.070) 1.572 8.086 ( -1.133 0.001 -1.530) 1.904 8.289 ( -7.056 4.462 1.148) 8.427 8.408 ( -6.522 0.210 -5.479) 8.520 8.811 ( 4.083 -2.912 0.448) 5.035 8.860 ( 5.439 -4.626 -1.650) 7.328 8.978 ( -1.571 -2.680 3.097) 4.386 9.069 ( -0.367 -6.119 -1.437) 6.296 9.369 ( -1.553 1.907 -1.658) 2.966 9.439 ( -4.213 2.185 -3.897) 6.141 9.606 ( -0.724 -6.829 -1.055) 6.948 9.661 ( -1.987 -6.789 -2.368) 7.460 11.900 ( 4.556 5.525 1.663) 7.352 11.960 ( 1.849 6.947 -0.660) 7.219 12.025 ( -0.154 1.585 2.086) 2.624 12.114 ( -2.179 1.078 -1.325) 2.768 13.076 ( -3.101 3.014 5.746) 7.191 13.096 ( -3.787 2.359 4.745) 6.513 13.302 ( 1.244 -7.958 3.919) 8.957 13.305 ( 1.127 -8.403 4.065) 9.402 13.977 ( 8.748 11.595 3.304) 14.896 14.155 ( 5.028 7.355 -5.346) 10.390 14.598 ( -2.376 -2.904 0.098) 3.753 14.703 ( -3.027 -3.948 -4.788) 6.904 15.059 ( -1.061 4.156 1.701) 4.615 15.176 ( -4.631 2.639 -2.237) 5.780 15.231 ( -0.345 -0.871 2.503) 2.673 15.341 ( -3.764 -2.741 -1.976) 5.058 16.774 ( 3.048 3.568 2.473) 5.304 16.883 ( -0.130 -0.649 -2.468) 2.555 17.096 ( 1.464 -9.229 -0.527) 9.359 17.212 ( -2.001 -11.656 -5.988) 13.256 23.939 ( 1.047 4.681 -0.603) 4.835 23.971 ( 0.182 4.688 -1.850) 5.043 24.174 ( -4.147 3.018 -1.241) 5.277 24.197 ( -4.698 3.133 -2.817) 6.310 24.482 ( 6.253 2.697 0.871) 6.866 24.536 ( 5.402 0.166 -1.632) 5.646 24.710 ( -2.879 5.575 -0.856) 6.332 24.735 ( -2.695 4.651 -2.068) 5.759 26.518 ( 9.666 0.793 0.796) 9.731 26.575 ( 12.199 -1.696 -1.918) 12.465 27.235 ( -15.243 1.485 3.053) 15.616 27.397 ( -16.748 -5.931 -4.956) 18.446 28.978 ( 11.608 2.696 7.936) 14.318 29.071 ( 13.514 -0.875 3.264) 13.931 29.591 ( -5.021 -1.064 8.955) 10.322 29.769 ( -7.308 -9.019 0.140) 11.609 ======================= Grid point 197 (72/90) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( -6.165 5.369 1.000) 8.236 3.121 ( 6.165 5.369 1.000) 8.236 3.232 ( -6.293 0.411 -2.952) 6.963 3.232 ( 6.293 0.411 -2.952) 6.963 3.521 ( -5.315 6.895 10.694) 13.790 3.521 ( 5.315 6.895 10.694) 13.790 3.834 ( -1.829 -8.470 1.704) 8.831 3.834 ( 1.829 -8.470 1.704) 8.831 4.074 ( -1.537 17.299 -6.099) 18.407 4.074 ( 1.537 17.299 -6.099) 18.407 4.446 ( -1.721 -1.987 -5.059) 5.701 4.446 ( 1.721 -1.987 -5.059) 5.701 4.778 ( -7.208 6.663 6.900) 11.999 4.778 ( 7.208 6.663 6.900) 11.999 5.081 ( -3.679 3.209 4.865) 6.892 5.081 ( 3.679 3.209 4.865) 6.892 5.235 ( -7.385 -2.750 -0.786) 7.920 5.235 ( 7.385 -2.750 -0.786) 7.920 5.455 ( -9.939 -2.740 -3.561) 10.908 5.455 ( 9.939 -2.740 -3.561) 10.908 5.857 ( -4.553 6.272 -1.383) 7.872 5.857 ( 4.553 6.272 -1.383) 7.872 5.942 ( -2.995 -1.618 4.996) 6.046 5.942 ( 2.995 -1.618 4.996) 6.046 6.124 ( -1.527 4.295 -6.907) 8.276 6.124 ( 1.527 4.295 -6.907) 8.276 6.518 ( -5.823 -4.732 -0.090) 7.504 6.518 ( 5.823 -4.732 -0.090) 7.504 6.796 ( -4.985 6.066 0.112) 7.852 6.796 ( 4.985 6.066 0.112) 7.852 7.050 ( -4.143 -5.193 -4.696) 8.136 7.050 ( 4.143 -5.193 -4.696) 8.136 7.631 ( -2.778 4.171 -0.133) 5.013 7.631 ( 2.778 4.171 -0.133) 5.013 7.930 ( -5.634 -9.160 0.464) 10.764 7.930 ( 5.634 -9.160 0.464) 10.764 8.108 ( -3.940 5.317 -2.202) 6.975 8.108 ( 3.940 5.317 -2.202) 6.975 8.208 ( -8.942 -0.156 -5.783) 10.651 8.208 ( 8.942 -0.156 -5.783) 10.651 8.898 ( -2.957 -0.806 0.692) 3.142 8.898 ( 2.957 -0.806 0.692) 3.142 9.015 ( -4.508 -6.990 -1.899) 8.532 9.015 ( 4.508 -6.990 -1.899) 8.532 9.364 ( -1.686 3.704 -1.964) 4.519 9.364 ( 1.686 3.704 -1.964) 4.519 9.613 ( -1.598 -7.857 -1.957) 8.253 9.613 ( 1.598 -7.857 -1.957) 8.253 11.987 ( -1.392 6.145 0.257) 6.306 11.987 ( 1.392 6.145 0.257) 6.306 12.041 ( -3.432 1.620 0.457) 3.822 12.041 ( 3.432 1.620 0.457) 3.822 13.043 ( -0.513 2.696 4.665) 5.413 13.043 ( 0.513 2.696 4.665) 5.413 13.314 ( -0.079 -10.180 4.188) 11.008 13.314 ( 0.079 -10.180 4.188) 11.008 14.173 ( -5.877 14.801 -0.959) 15.954 14.173 ( 5.877 14.801 -0.959) 15.954 14.598 ( -4.260 -7.081 -1.212) 8.352 14.598 ( 4.260 -7.081 -1.212) 8.352 15.083 ( -3.029 4.311 -1.521) 5.484 15.083 ( 3.029 4.311 -1.521) 5.484 15.254 ( -2.896 -3.110 0.839) 4.332 15.254 ( 2.896 -3.110 0.839) 4.332 16.848 ( -2.918 3.148 0.727) 4.354 16.848 ( 2.918 3.148 0.727) 4.354 17.152 ( -3.053 -11.671 -4.033) 12.720 17.152 ( 3.053 -11.671 -4.033) 12.720 23.966 ( -0.936 5.680 -0.852) 5.819 23.966 ( 0.936 5.680 -0.852) 5.819 24.129 ( -0.684 0.815 -2.107) 2.361 24.129 ( 0.684 0.815 -2.107) 2.361 24.613 ( -4.486 4.365 -0.158) 6.262 24.613 ( 4.486 4.365 -0.158) 6.262 24.655 ( -3.746 3.424 -1.414) 5.268 24.655 ( 3.746 3.424 -1.414) 5.268 26.787 ( -8.565 3.757 1.474) 9.468 26.787 ( 8.565 3.757 1.474) 9.468 27.010 ( -11.096 -6.619 -3.306) 13.337 27.010 ( 11.096 -6.619 -3.306) 13.337 29.219 ( -5.632 6.725 6.328) 10.816 29.219 ( 5.632 6.725 6.328) 10.816 29.570 ( -7.450 -10.766 3.439) 13.536 29.570 ( 7.450 -10.766 3.439) 13.536 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( 0.000 -3.638 4.476) 5.767 3.215 ( 0.000 3.638 4.476) 5.767 3.293 ( 0.000 -6.823 5.286) 8.631 3.293 ( 0.000 6.823 5.286) 8.631 3.763 ( 0.000 -0.199 1.756) 1.767 3.763 ( 0.000 0.199 1.756) 1.767 4.024 ( 0.000 -2.840 10.583) 10.958 4.024 ( 0.000 2.840 10.583) 10.958 4.202 ( 0.000 -1.609 -0.367) 1.650 4.202 ( 0.000 1.609 -0.367) 1.650 4.360 ( 0.000 -6.104 -4.483) 7.573 4.360 ( 0.000 6.104 -4.483) 7.573 4.533 ( 0.000 -0.242 -2.114) 2.128 4.533 ( 0.000 0.242 -2.114) 2.128 4.870 ( 0.000 -2.511 -13.535) 13.765 4.870 ( 0.000 2.511 -13.535) 13.765 5.260 ( 0.000 -9.413 4.984) 10.651 5.260 ( 0.000 9.413 4.984) 10.651 5.594 ( 0.000 -5.015 7.411) 8.949 5.594 ( 0.000 5.015 7.411) 8.949 5.731 ( 0.000 -1.029 3.894) 4.027 5.731 ( 0.000 1.029 3.894) 4.027 5.996 ( 0.000 -1.074 -3.558) 3.716 5.996 ( 0.000 1.074 -3.558) 3.716 6.240 ( 0.000 -2.567 -12.356) 12.620 6.240 ( 0.000 2.567 -12.356) 12.620 6.524 ( 0.000 -11.285 2.571) 11.574 6.524 ( 0.000 11.285 2.571) 11.574 6.598 ( 0.000 -1.871 -1.863) 2.641 6.598 ( 0.000 1.871 -1.863) 2.641 7.163 ( 0.000 -3.633 -4.010) 5.411 7.163 ( 0.000 3.633 -4.010) 5.411 7.590 ( 0.000 -0.700 -1.616) 1.761 7.590 ( 0.000 0.700 -1.616) 1.761 7.807 ( 0.000 -1.853 -5.749) 6.040 7.807 ( 0.000 1.853 -5.749) 6.040 8.078 ( 0.000 -3.042 0.377) 3.066 8.078 ( 0.000 3.042 0.377) 3.066 8.469 ( 0.000 -3.550 -2.011) 4.080 8.469 ( 0.000 3.550 -2.011) 4.080 8.721 ( 0.000 -0.830 0.863) 1.197 8.721 ( 0.000 0.830 0.863) 1.197 8.991 ( 0.000 -1.819 0.900) 2.030 8.991 ( 0.000 1.819 0.900) 2.030 9.440 ( 0.000 -4.253 -2.649) 5.011 9.440 ( 0.000 4.253 -2.649) 5.011 9.595 ( 0.000 -2.787 -1.373) 3.107 9.595 ( 0.000 2.787 -1.373) 3.107 11.946 ( 0.000 -3.885 3.659) 5.337 11.946 ( 0.000 3.885 3.659) 5.337 12.107 ( 0.000 -4.135 -2.878) 5.038 12.107 ( 0.000 4.135 -2.878) 5.038 13.176 ( 0.000 -0.973 6.586) 6.657 13.176 ( 0.000 0.973 6.586) 6.657 13.205 ( 0.000 -0.059 3.711) 3.712 13.205 ( 0.000 0.059 3.711) 3.712 14.036 ( 0.000 -6.781 0.648) 6.812 14.036 ( 0.000 6.781 0.648) 6.812 14.660 ( 0.000 -3.569 -5.545) 6.594 14.660 ( 0.000 3.569 -5.545) 6.594 15.165 ( 0.000 -3.453 3.921) 5.225 15.165 ( 0.000 3.453 3.921) 5.225 15.334 ( 0.000 -3.171 -3.034) 4.388 15.334 ( 0.000 3.171 -3.034) 4.388 16.803 ( 0.000 -3.301 -0.243) 3.310 16.803 ( 0.000 3.301 -0.243) 3.310 17.065 ( 0.000 -4.697 -3.396) 5.796 17.065 ( 0.000 4.697 -3.396) 5.796 23.995 ( 0.000 -1.652 -1.651) 2.336 23.995 ( 0.000 1.652 -1.651) 2.336 24.348 ( 0.000 -0.464 -2.779) 2.818 24.348 ( 0.000 0.464 -2.779) 2.818 24.374 ( 0.000 -2.131 1.154) 2.423 24.374 ( 0.000 2.131 1.154) 2.423 24.813 ( 0.000 -0.645 -2.715) 2.791 24.813 ( 0.000 0.645 -2.715) 2.791 26.409 ( 0.000 -0.164 -0.500) 0.526 26.409 ( 0.000 0.164 -0.500) 0.526 27.511 ( 0.000 -4.725 -0.950) 4.820 27.511 ( 0.000 4.725 -0.950) 4.820 28.838 ( 0.000 -0.074 6.767) 6.768 28.838 ( 0.000 0.074 6.767) 6.768 29.721 ( 0.000 -5.132 4.756) 6.996 29.721 ( 0.000 5.132 4.756) 6.996 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( -1.941 -4.801 1.051) 5.284 3.155 ( -1.941 4.801 1.051) 5.284 3.300 ( -0.786 -5.712 1.399) 5.933 3.300 ( -0.786 5.712 1.399) 5.933 3.696 ( -4.195 -7.380 4.433) 9.577 3.696 ( -4.195 7.380 4.433) 9.577 3.842 ( -12.696 -0.394 7.876) 14.946 3.842 ( -12.696 0.394 7.876) 14.946 4.270 ( 4.457 -3.286 -3.726) 6.675 4.270 ( 4.457 3.286 -3.726) 6.675 4.368 ( 0.186 -7.575 -5.657) 9.457 4.368 ( 0.186 7.576 -5.657) 9.457 4.685 ( 12.441 -8.333 2.718) 15.219 4.685 ( 12.441 8.333 2.718) 15.219 4.988 ( 5.751 -4.529 -3.031) 7.923 4.988 ( 5.751 4.529 -3.031) 7.923 5.234 ( -0.569 -8.737 2.868) 9.213 5.234 ( -0.569 8.737 2.868) 9.213 5.521 ( -6.162 -8.254 4.234) 11.136 5.521 ( -6.162 8.254 4.234) 11.136 5.788 ( 4.547 -1.776 3.096) 5.781 5.788 ( 4.547 1.776 3.096) 5.781 5.989 ( -1.383 -1.660 -1.809) 2.817 5.989 ( -1.383 1.660 -1.809) 2.817 6.246 ( 1.608 -2.991 -10.100) 10.656 6.246 ( 1.608 2.991 -10.100) 10.656 6.464 ( -5.314 -8.685 -5.825) 11.730 6.464 ( -5.314 8.685 -5.825) 11.730 6.712 ( 9.097 -4.948 3.145) 10.822 6.712 ( 9.097 4.948 3.145) 10.822 7.107 ( -5.099 -3.753 -2.813) 6.928 7.107 ( -5.099 3.753 -2.813) 6.928 7.649 ( 4.518 -4.374 -0.260) 6.293 7.649 ( 4.518 4.374 -0.260) 6.293 7.807 ( -0.704 -5.559 -4.147) 6.971 7.807 ( -0.704 5.559 -4.147) 6.971 8.071 ( 1.184 -1.918 -0.710) 2.363 8.071 ( 1.184 1.918 -0.710) 2.363 8.382 ( -7.208 -3.444 -3.102) 8.570 8.382 ( -7.208 3.444 -3.102) 8.570 8.795 ( 5.559 -1.454 -0.118) 5.747 8.795 ( 5.559 1.454 -0.118) 5.747 8.979 ( -1.325 -2.620 0.572) 2.991 8.979 ( -1.325 2.620 0.572) 2.991 9.434 ( -0.026 -4.051 -2.198) 4.609 9.434 ( -0.026 4.051 -2.198) 4.609 9.549 ( -3.699 -3.341 -1.561) 5.223 9.549 ( -3.699 3.341 -1.561) 5.223 11.983 ( 3.010 -2.557 2.637) 4.749 11.983 ( 3.010 2.557 2.637) 4.749 12.099 ( -0.904 -3.170 -2.013) 3.863 12.099 ( -0.904 3.170 -2.013) 3.863 13.148 ( -1.606 -1.169 5.877) 6.203 13.148 ( -1.606 1.169 5.877) 6.203 13.179 ( -2.012 -0.608 3.860) 4.396 13.179 ( -2.012 0.608 3.860) 4.396 14.164 ( 10.192 -6.201 0.382) 11.936 14.164 ( 10.192 6.201 0.382) 11.936 14.615 ( -4.802 -4.186 -4.150) 7.603 14.615 ( -4.802 4.186 -4.150) 7.603 15.143 ( -0.818 -4.032 2.580) 4.856 15.143 ( -0.818 4.032 2.580) 4.856 15.277 ( -4.433 -3.655 -2.200) 6.152 15.277 ( -4.433 3.655 -2.200) 6.152 16.854 ( 4.092 -3.863 -0.740) 5.676 16.854 ( 4.092 3.863 -0.740) 5.676 17.037 ( -2.531 -4.706 -2.934) 6.096 17.037 ( -2.531 4.706 -2.934) 6.096 24.013 ( 1.680 -1.519 -1.506) 2.720 24.013 ( 1.680 1.519 -1.506) 2.720 24.196 ( -6.543 -1.259 -1.108) 6.755 24.196 ( -6.543 1.259 -1.108) 6.755 24.533 ( 7.219 -1.405 -0.603) 7.380 24.533 ( 7.219 1.405 -0.603) 7.380 24.777 ( -3.136 -0.709 -2.137) 3.861 24.777 ( -3.136 0.709 -2.137) 3.861 26.542 ( 11.407 -1.542 -0.794) 11.538 26.542 ( 11.407 1.542 -0.794) 11.538 27.292 ( -16.631 -4.364 -0.788) 17.212 27.292 ( -16.631 4.364 -0.788) 17.212 29.033 ( 14.537 -2.709 6.049) 15.977 29.033 ( 14.537 2.709 6.049) 15.977 29.629 ( -8.046 -4.872 4.874) 10.594 29.629 ( -8.046 4.872 4.874) 10.594 ======================= Grid point 204 (75/90) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( -5.604 -2.902 -3.537) 7.235 3.209 ( -1.681 -1.129 -3.537) 4.076 3.209 ( 1.681 1.129 -3.537) 4.076 3.209 ( 5.604 2.902 -3.537) 7.235 3.659 ( -2.658 -8.070 8.689) 12.152 3.659 ( 2.600 -8.065 8.689) 12.137 3.659 ( -2.600 8.065 8.689) 12.137 3.659 ( 2.658 8.070 8.689) 12.152 4.346 ( -1.528 -9.315 -6.605) 11.521 4.346 ( 1.194 -9.303 -6.605) 11.472 4.346 ( -1.194 9.303 -6.605) 11.472 4.346 ( 1.528 9.315 -6.605) 11.521 4.950 ( -8.358 -10.366 7.875) 15.470 4.950 ( 7.385 -10.179 7.875) 14.838 4.950 ( -7.385 10.179 7.875) 14.838 4.950 ( 8.358 10.366 7.875) 15.470 5.342 ( -8.544 -8.199 -1.181) 11.900 5.342 ( 7.144 -7.857 -1.181) 10.685 5.342 ( -7.144 7.857 -1.181) 10.685 5.342 ( 8.544 8.199 -1.181) 11.900 5.909 ( -4.619 -1.990 0.827) 5.096 5.909 ( -3.370 -1.210 0.827) 3.675 5.909 ( 3.370 1.210 0.827) 3.675 5.909 ( 4.619 1.990 0.827) 5.096 6.329 ( -3.134 -12.456 -7.971) 15.116 6.329 ( 1.092 -12.369 -7.971) 14.755 6.329 ( -1.092 12.369 -7.971) 14.755 6.329 ( 3.134 12.456 -7.971) 15.116 6.937 ( -8.421 -6.435 0.425) 10.607 6.937 ( -0.817 -4.883 0.425) 4.969 6.937 ( 0.817 4.883 0.425) 4.969 6.937 ( 8.421 6.435 0.425) 10.607 7.751 ( -3.888 -8.131 0.392) 9.021 7.751 ( 3.696 -8.108 0.392) 8.920 7.751 ( -3.696 8.108 0.392) 8.920 7.751 ( 3.888 8.131 0.392) 9.021 8.189 ( -8.449 -2.270 -4.309) 9.752 8.189 ( -7.675 1.426 -4.309) 8.917 8.189 ( 7.675 -1.426 -4.309) 8.917 8.189 ( 8.449 2.270 -4.309) 9.752 8.916 ( -4.226 -2.825 -0.259) 5.090 8.916 ( 0.996 -1.940 -0.259) 2.196 8.916 ( -0.996 1.940 -0.259) 2.196 8.916 ( 4.226 2.825 -0.259) 5.090 9.465 ( -2.115 -6.563 -1.742) 7.112 9.465 ( 1.240 -6.507 -1.742) 6.849 9.465 ( -1.240 6.507 -1.742) 6.849 9.465 ( 2.115 6.563 -1.742) 7.112 12.056 ( -2.937 -0.902 0.249) 3.083 12.056 ( -2.842 0.822 0.249) 2.969 12.056 ( 2.842 -0.822 0.249) 2.969 12.056 ( 2.937 0.902 0.249) 3.083 13.139 ( -0.253 -7.132 4.612) 8.498 13.139 ( 0.113 -7.132 4.612) 8.494 13.139 ( -0.113 7.132 4.612) 8.494 13.139 ( 0.253 7.132 4.612) 8.498 14.425 ( -8.737 -10.123 -1.166) 13.422 14.425 ( -0.602 -9.137 -1.166) 9.230 14.425 ( 0.602 9.137 -1.166) 9.230 14.425 ( 8.737 10.123 -1.166) 13.422 15.175 ( -3.307 -4.664 -0.266) 5.724 15.175 ( 2.069 -4.482 -0.266) 4.943 15.175 ( -2.069 4.482 -0.266) 4.943 15.175 ( 3.307 4.664 -0.266) 5.724 16.956 ( -3.184 -7.811 -1.846) 8.634 16.956 ( 1.470 -7.682 -1.846) 8.036 16.956 ( -1.470 7.682 -1.846) 8.036 16.956 ( 3.184 7.811 -1.846) 8.634 24.076 ( -2.320 -4.709 -1.240) 5.394 24.076 ( -0.636 -4.575 -1.240) 4.782 24.076 ( 0.636 4.575 -1.240) 4.782 24.076 ( 2.320 4.709 -1.240) 5.394 24.678 ( -5.397 -1.200 -1.130) 5.643 24.678 ( -4.896 0.391 -1.130) 5.040 24.678 ( 4.896 -0.391 -1.130) 5.040 24.678 ( 5.397 1.200 -1.130) 5.643 26.884 ( -16.689 -4.882 -0.958) 17.414 26.884 ( -13.648 -0.874 -0.958) 13.709 26.884 ( 13.648 0.874 -0.958) 13.709 26.884 ( 16.689 4.882 -0.958) 17.414 29.374 ( -11.550 -8.064 5.275) 15.042 29.374 ( -4.984 -6.156 5.275) 9.516 29.374 ( 4.984 6.156 5.275) 9.516 29.374 ( 11.550 8.064 5.275) 15.042 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.943 ( 0.000 0.000 -6.027) 6.027 2.943 ( 0.000 0.000 6.027) 6.027 3.135 ( 0.000 0.000 -19.687) 19.687 3.135 ( 0.000 0.000 19.687) 19.687 3.178 ( 0.000 0.000 -24.258) 24.258 3.178 ( 0.000 0.000 24.258) 24.258 3.631 ( 0.000 0.000 -17.531) 17.531 3.631 ( 0.000 0.000 17.531) 17.531 3.755 ( 0.000 0.000 -10.291) 10.291 3.755 ( 0.000 0.000 10.292) 10.292 4.103 ( 0.000 0.000 -0.273) 0.273 4.103 ( 0.000 0.000 0.273) 0.273 4.639 ( 0.000 0.000 -6.301) 6.301 4.639 ( 0.000 0.000 6.301) 6.301 4.966 ( 0.000 0.000 -3.745) 3.745 4.966 ( 0.000 0.000 3.745) 3.745 5.154 ( 0.000 0.000 -2.618) 2.618 5.154 ( 0.000 0.000 2.618) 2.618 5.271 ( 0.000 0.000 -0.201) 0.201 5.271 ( 0.000 0.000 0.201) 0.201 5.927 ( 0.000 0.000 -0.357) 0.357 5.927 ( 0.000 0.000 0.357) 0.357 6.013 ( 0.000 0.000 -6.426) 6.426 6.013 ( 0.000 0.000 6.426) 6.426 6.135 ( 0.000 0.000 -0.589) 0.589 6.135 ( 0.000 0.000 0.589) 0.589 6.389 ( 0.000 0.000 -35.976) 35.976 6.389 ( 0.000 0.000 35.977) 35.977 6.876 ( 0.000 0.000 -4.025) 4.025 6.876 ( 0.000 0.000 4.025) 4.025 7.234 ( 0.000 0.000 -3.689) 3.689 7.234 ( 0.000 0.000 3.689) 3.689 7.462 ( 0.000 0.000 -2.014) 2.014 7.462 ( 0.000 0.000 2.014) 2.014 7.682 ( 0.000 0.000 -1.162) 1.162 7.682 ( 0.000 0.000 1.162) 1.162 8.013 ( 0.000 0.000 -0.538) 0.538 8.013 ( 0.000 0.000 0.538) 0.538 8.532 ( 0.000 0.000 -3.350) 3.350 8.532 ( 0.000 0.000 3.350) 3.350 9.175 ( 0.000 0.000 -5.106) 5.106 9.175 ( 0.000 0.000 5.106) 5.106 9.189 ( 0.000 0.000 -11.469) 11.469 9.189 ( 0.000 0.000 11.469) 11.469 9.471 ( 0.000 0.000 -6.058) 6.058 9.471 ( 0.000 0.000 6.058) 6.058 9.637 ( 0.000 0.000 -0.884) 0.884 9.637 ( 0.000 0.000 0.884) 0.884 11.589 ( 0.000 0.000 -3.230) 3.230 11.589 ( 0.000 0.000 3.230) 3.230 12.077 ( 0.000 0.000 -2.732) 2.732 12.077 ( 0.000 0.000 2.732) 2.732 12.976 ( 0.000 0.000 -0.686) 0.686 12.976 ( 0.000 0.000 0.686) 0.686 13.355 ( 0.000 0.000 -0.581) 0.581 13.355 ( 0.000 0.000 0.581) 0.581 13.856 ( 0.000 0.000 -3.615) 3.615 13.856 ( 0.000 0.000 3.615) 3.615 14.775 ( 0.000 0.000 -0.073) 0.073 14.775 ( 0.000 0.000 0.073) 0.073 14.990 ( 0.000 0.000 -3.332) 3.332 14.990 ( 0.000 0.000 3.332) 3.332 15.389 ( 0.000 0.000 -5.584) 5.584 15.389 ( 0.000 0.000 5.584) 5.584 16.853 ( 0.000 0.000 -11.344) 11.344 16.853 ( 0.000 0.000 11.344) 11.344 17.677 ( 0.000 0.000 -3.257) 3.257 17.677 ( 0.000 0.000 3.257) 3.257 23.677 ( 0.000 0.000 -2.069) 2.069 23.677 ( 0.000 0.000 2.069) 2.069 23.811 ( 0.000 0.000 -2.115) 2.115 23.811 ( 0.000 0.000 2.115) 2.115 24.324 ( 0.000 0.000 -0.447) 0.447 24.324 ( 0.000 0.000 0.447) 0.447 24.622 ( 0.000 0.000 -1.656) 1.656 24.622 ( 0.000 0.000 1.656) 1.656 26.476 ( 0.000 0.000 -0.570) 0.570 26.476 ( 0.000 0.000 0.570) 0.570 27.598 ( 0.000 0.000 -10.652) 10.652 27.598 ( 0.000 0.000 10.652) 10.652 28.947 ( 0.000 0.000 -2.132) 2.132 28.947 ( 0.000 0.000 2.132) 2.132 29.992 ( 0.000 0.000 -14.842) 14.842 29.992 ( 0.000 0.000 14.842) 14.842 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( -0.607 0.000 -4.508) 4.549 2.933 ( -0.607 0.000 4.508) 4.549 3.167 ( 0.353 0.000 -13.376) 13.381 3.167 ( 0.353 0.000 13.376) 13.381 3.245 ( 5.419 0.000 -21.963) 22.622 3.245 ( 5.419 0.000 21.963) 22.622 3.453 ( -11.635 0.000 -7.999) 14.120 3.453 ( -11.635 0.000 7.999) 14.120 3.565 ( -5.367 0.000 -17.524) 18.328 3.565 ( -5.367 0.000 17.524) 18.328 4.377 ( 8.795 0.000 -5.026) 10.129 4.377 ( 8.795 0.000 5.026) 10.129 4.714 ( 6.063 0.000 -6.087) 8.591 4.714 ( 6.063 0.000 6.087) 8.591 4.988 ( 5.994 0.000 -3.536) 6.959 4.988 ( 5.994 0.000 3.536) 6.959 5.093 ( -5.382 0.000 -4.147) 6.795 5.093 ( -5.382 0.000 4.147) 6.795 5.259 ( -0.610 0.000 -1.604) 1.716 5.259 ( -0.610 0.000 1.604) 1.716 5.804 ( -9.477 0.000 -6.895) 11.719 5.804 ( -9.477 0.000 6.895) 11.719 6.034 ( 1.098 0.000 -3.702) 3.861 6.034 ( 1.098 0.000 3.702) 3.861 6.148 ( 0.872 0.000 -0.389) 0.955 6.148 ( 0.872 0.000 0.389) 0.955 6.554 ( 12.413 0.000 -33.766) 35.976 6.554 ( 12.413 0.000 33.766) 35.976 6.875 ( -0.080 0.000 -2.856) 2.857 6.875 ( -0.080 0.000 2.856) 2.857 7.157 ( -6.954 0.000 -13.850) 15.498 7.157 ( -6.954 0.000 13.850) 15.498 7.461 ( -0.077 0.000 -1.428) 1.430 7.461 ( -0.077 0.000 1.428) 1.430 7.690 ( 0.661 0.000 -2.994) 3.066 7.690 ( 0.661 0.000 2.994) 3.066 8.063 ( 4.228 0.000 -1.584) 4.515 8.063 ( 4.228 0.000 1.584) 4.515 8.489 ( -4.230 0.000 -3.797) 5.684 8.489 ( -4.230 0.000 3.797) 5.684 9.138 ( -2.320 0.000 -7.241) 7.604 9.138 ( -2.320 0.000 7.242) 7.604 9.180 ( 0.387 0.000 -3.731) 3.751 9.180 ( 0.387 0.000 3.731) 3.751 9.468 ( -0.238 0.000 -4.403) 4.410 9.468 ( -0.238 0.000 4.403) 4.410 9.670 ( 1.598 0.000 -2.854) 3.271 9.670 ( 1.598 0.000 2.854) 3.271 11.590 ( 0.069 0.000 -2.295) 2.296 11.590 ( 0.069 0.000 2.295) 2.296 12.075 ( -0.137 0.000 -1.943) 1.948 12.075 ( -0.137 0.000 1.943) 1.948 13.068 ( 6.994 0.000 -1.943) 7.259 13.068 ( 6.994 0.000 1.943) 7.259 13.355 ( 0.006 0.000 -0.411) 0.411 13.355 ( 0.006 0.000 0.411) 0.411 13.802 ( -4.397 0.000 -4.060) 5.985 13.802 ( -4.397 0.000 4.060) 5.985 14.776 ( 0.047 0.000 -0.051) 0.070 14.776 ( 0.047 0.000 0.051) 0.070 14.965 ( -1.577 0.000 -2.343) 2.824 14.965 ( -1.577 0.000 2.343) 2.824 15.368 ( -1.534 0.000 -3.940) 4.228 15.368 ( -1.534 0.000 3.940) 4.228 16.879 ( 1.883 0.000 -8.381) 8.590 16.879 ( 1.883 0.000 8.381) 8.590 17.648 ( -2.086 0.000 -3.146) 3.775 17.648 ( -2.086 0.000 3.146) 3.775 23.677 ( 0.000 0.000 -1.465) 1.465 23.677 ( 0.000 0.000 1.465) 1.465 23.811 ( -0.010 0.000 -1.497) 1.497 23.811 ( -0.010 0.000 1.497) 1.497 24.323 ( -0.085 0.000 -0.450) 0.458 24.323 ( -0.085 0.000 0.450) 0.458 24.616 ( -0.446 0.000 -1.231) 1.310 24.616 ( -0.446 0.000 1.231) 1.310 26.593 ( 9.737 0.000 -3.425) 10.321 26.593 ( 9.737 0.000 3.425) 10.321 27.416 ( -13.823 0.000 -9.869) 16.985 27.416 ( -13.823 0.000 9.869) 16.985 29.030 ( 5.464 0.000 -4.051) 6.802 29.030 ( 5.464 0.000 4.051) 6.802 29.993 ( 0.022 0.000 -10.968) 10.968 29.993 ( 0.022 0.000 10.968) 10.968 ======================= Grid point 229 (78/90) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 3.116 ( -0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.380 ( -0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 -0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 4.426 ( -0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 0.000) 0.000 4.837 ( -0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 4.978 ( -0.000 0.000 0.000) 0.000 4.978 ( 0.000 0.000 0.000) 0.000 5.161 ( -0.000 0.000 0.000) 0.000 5.161 ( 0.000 0.000 0.000) 0.000 5.253 ( -0.000 0.000 0.000) 0.000 5.253 ( 0.000 0.000 0.000) 0.000 5.628 ( -0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 6.048 ( 0.000 0.000 0.000) 0.000 6.048 ( 0.000 0.000 0.000) 0.000 6.160 ( -0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.787 ( -0.000 0.000 0.000) 0.000 6.787 ( 0.000 0.000 0.000) 0.000 6.873 ( 0.000 0.000 0.000) 0.000 6.873 ( 0.000 0.000 0.000) 0.000 6.994 ( -0.000 0.000 -0.000) 0.000 6.994 ( 0.000 0.000 -0.000) 0.000 7.460 ( 0.000 0.000 0.000) 0.000 7.460 ( 0.000 0.000 0.000) 0.000 7.700 ( -0.000 0.000 0.000) 0.000 7.700 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.401 ( -0.000 0.000 0.000) 0.000 8.401 ( 0.000 0.000 0.000) 0.000 9.120 ( -0.000 0.000 0.000) 0.000 9.120 ( 0.000 0.000 0.000) 0.000 9.186 ( 0.000 0.000 0.000) 0.000 9.186 ( 0.000 0.000 0.000) 0.000 9.464 ( -0.000 0.000 0.000) 0.000 9.464 ( 0.000 0.000 0.000) 0.000 9.685 ( 0.000 0.000 0.000) 0.000 9.685 ( 0.000 0.000 0.000) 0.000 11.591 ( -0.000 0.000 0.000) 0.000 11.591 ( 0.000 0.000 0.000) 0.000 12.073 ( -0.000 0.000 0.000) 0.000 12.073 ( 0.000 0.000 0.000) 0.000 13.180 ( -0.000 0.000 0.000) 0.000 13.180 ( 0.000 0.000 0.000) 0.000 13.355 ( -0.000 0.000 0.000) 0.000 13.355 ( 0.000 0.000 0.000) 0.000 13.725 ( -0.000 0.000 0.000) 0.000 13.725 ( 0.000 0.000 0.000) 0.000 14.776 ( -0.000 0.000 0.000) 0.000 14.776 ( 0.000 0.000 0.000) 0.000 14.945 ( 0.000 0.000 0.000) 0.000 14.945 ( 0.000 0.000 0.000) 0.000 15.345 ( 0.000 0.000 0.000) 0.000 15.345 ( 0.000 0.000 0.000) 0.000 16.907 ( 0.000 0.000 0.000) 0.000 16.907 ( 0.000 0.000 0.000) 0.000 17.617 ( 0.000 0.000 0.000) 0.000 17.617 ( 0.000 0.000 0.000) 0.000 23.677 ( 0.000 0.000 0.000) 0.000 23.677 ( 0.000 0.000 0.000) 0.000 23.811 ( 0.000 0.000 0.000) 0.000 23.811 ( 0.000 0.000 0.000) 0.000 24.322 ( -0.000 0.000 0.000) 0.000 24.322 ( 0.000 0.000 0.000) 0.000 24.609 ( 0.000 0.000 0.000) 0.000 24.609 ( 0.000 0.000 0.000) 0.000 26.786 ( 0.000 0.000 0.000) 0.000 26.786 ( 0.000 0.000 0.000) 0.000 27.170 ( 0.000 0.000 0.000) 0.000 27.170 ( 0.000 0.000 0.000) 0.000 29.104 ( -0.000 0.000 0.000) 0.000 29.104 ( 0.000 0.000 0.000) 0.000 29.993 ( -0.000 0.000 0.000) 0.000 29.993 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( 0.000 13.534 -2.741) 13.809 3.092 ( 0.000 13.534 2.741) 13.809 3.105 ( 0.000 0.493 -8.043) 8.058 3.105 ( 0.000 0.492 8.043) 8.058 3.309 ( 0.000 10.046 -9.963) 14.148 3.309 ( 0.000 10.046 9.963) 14.148 3.577 ( 0.000 -3.214 -12.615) 13.018 3.577 ( 0.000 -3.214 12.615) 13.018 3.943 ( 0.000 15.316 -13.532) 20.438 3.943 ( 0.000 15.316 13.532) 20.438 4.097 ( 0.000 -0.178 -0.262) 0.317 4.097 ( 0.000 -0.178 0.262) 0.317 4.656 ( 0.000 1.606 -6.031) 6.241 4.656 ( 0.000 1.606 6.031) 6.241 4.935 ( 0.000 -3.403 -1.199) 3.608 4.935 ( 0.000 -3.403 1.199) 3.608 5.146 ( 0.000 -1.723 -5.260) 5.535 5.146 ( 0.000 -1.723 5.260) 5.535 5.282 ( 0.000 3.241 -0.568) 3.290 5.282 ( 0.000 3.241 0.568) 3.290 5.884 ( 0.000 -5.391 -3.908) 6.659 5.884 ( 0.000 -5.391 3.908) 6.659 6.006 ( 0.000 1.492 -1.704) 2.265 6.006 ( 0.000 1.492 1.704) 2.265 6.163 ( 0.000 0.630 -1.929) 2.029 6.163 ( 0.000 0.630 1.929) 2.029 6.457 ( 0.000 6.982 -34.579) 35.277 6.457 ( 0.000 6.982 34.579) 35.277 6.859 ( 0.000 -2.411 -6.595) 7.022 6.859 ( 0.000 -2.411 6.595) 7.022 7.108 ( 0.000 -9.041 -3.195) 9.589 7.108 ( 0.000 -9.041 3.195) 9.589 7.549 ( 0.000 6.594 -1.788) 6.832 7.549 ( 0.000 6.594 1.788) 6.832 7.692 ( 0.000 0.037 -1.095) 1.095 7.692 ( 0.000 0.037 1.095) 1.095 8.015 ( 0.000 0.576 -1.799) 1.889 8.015 ( 0.000 0.576 1.799) 1.889 8.486 ( 0.000 -4.134 -2.514) 4.838 8.486 ( 0.000 -4.134 2.514) 4.838 9.058 ( 0.000 -7.318 -2.229) 7.650 9.058 ( 0.000 -7.318 2.229) 7.650 9.249 ( 0.000 -0.256 -3.312) 3.322 9.249 ( 0.000 -0.256 3.312) 3.322 9.376 ( 0.000 -4.081 -4.232) 5.879 9.376 ( 0.000 -4.081 4.232) 5.879 9.712 ( 0.000 3.646 -1.576) 3.972 9.712 ( 0.000 3.646 1.576) 3.972 11.629 ( 0.000 4.051 -2.069) 4.548 11.629 ( 0.000 4.051 2.069) 4.548 12.080 ( 0.000 0.247 -2.490) 2.503 12.080 ( 0.000 0.247 2.490) 2.503 13.027 ( 0.000 4.705 -0.842) 4.780 13.027 ( 0.000 4.705 0.842) 4.780 13.375 ( 0.000 1.632 -0.453) 1.693 13.375 ( 0.000 1.632 0.453) 1.693 13.844 ( 0.000 -0.806 -4.430) 4.503 13.844 ( 0.000 -0.806 4.430) 4.503 14.758 ( 0.000 -1.719 -0.689) 1.852 14.758 ( 0.000 -1.719 0.689) 1.852 15.013 ( 0.000 2.317 -3.742) 4.402 15.013 ( 0.000 2.317 3.742) 4.402 15.376 ( 0.000 -1.179 -5.331) 5.460 15.376 ( 0.000 -1.179 5.331) 5.460 16.844 ( 0.000 -0.858 -10.408) 10.443 16.844 ( 0.000 -0.858 10.408) 10.443 17.581 ( 0.000 -9.202 -3.956) 10.017 17.581 ( 0.000 -9.202 3.956) 10.017 23.772 ( 0.000 7.795 -0.747) 7.830 23.772 ( 0.000 7.795 0.747) 7.830 23.829 ( 0.000 3.247 -1.745) 3.686 23.829 ( 0.000 3.247 1.745) 3.686 24.384 ( 0.000 5.152 -1.180) 5.286 24.384 ( 0.000 5.152 1.180) 5.286 24.613 ( 0.000 -0.657 -1.459) 1.600 24.613 ( 0.000 -0.657 1.459) 1.600 26.464 ( 0.000 -1.089 -0.545) 1.218 26.464 ( 0.000 -1.089 0.545) 1.218 27.586 ( 0.000 -1.249 -10.028) 10.105 27.586 ( 0.000 -1.249 10.028) 10.105 28.940 ( 0.000 -0.659 -1.666) 1.792 28.940 ( 0.000 -0.659 1.666) 1.792 29.957 ( 0.000 -3.369 -13.473) 13.888 29.957 ( 0.000 -3.369 13.473) 13.888 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( -1.037 7.406 -3.281) 8.166 3.045 ( -1.037 7.406 3.281) 8.166 3.169 ( 0.664 5.221 -6.053) 8.021 3.169 ( 0.664 5.221 6.053) 8.021 3.345 ( -1.128 4.750 -11.141) 12.164 3.345 ( -1.128 4.750 11.141) 12.164 3.416 ( -3.660 2.473 -9.313) 10.308 3.416 ( -3.660 2.473 9.313) 10.308 3.751 ( -7.710 14.109 -13.745) 21.152 3.751 ( -7.710 14.109 13.745) 21.152 4.353 ( 8.087 -1.891 -3.513) 9.018 4.353 ( 8.087 -1.891 3.513) 9.018 4.738 ( 5.575 1.391 -3.288) 6.620 4.738 ( 5.575 1.391 3.288) 6.620 4.948 ( 3.661 -2.004 -7.109) 8.243 4.948 ( 3.661 -2.004 7.109) 8.243 5.091 ( -3.900 -0.160 -3.753) 5.415 5.091 ( -3.900 -0.160 3.753) 5.415 5.308 ( 2.774 4.541 -1.796) 5.616 5.308 ( 2.774 4.541 1.796) 5.616 5.783 ( -8.736 -2.468 -5.891) 10.822 5.783 ( -8.736 -2.468 5.891) 10.822 6.029 ( 2.070 0.173 -0.301) 2.099 6.029 ( 2.070 0.173 0.301) 2.099 6.176 ( 0.247 1.401 -1.215) 1.871 6.176 ( 0.247 1.401 1.215) 1.871 6.587 ( 10.093 3.481 -32.299) 34.018 6.587 ( 10.093 3.481 32.299) 34.018 6.852 ( -0.369 -2.920 -5.804) 6.508 6.852 ( -0.369 -2.920 5.804) 6.508 7.058 ( -4.788 -7.279 -13.170) 15.791 7.058 ( -4.788 -7.279 13.170) 15.791 7.521 ( -1.850 4.490 -1.727) 5.154 7.521 ( -1.850 4.490 1.727) 5.154 7.723 ( 2.144 2.903 -2.036) 4.144 7.723 ( 2.144 2.903 2.036) 4.144 8.060 ( 3.996 -0.143 -2.086) 4.510 8.060 ( 3.996 -0.143 2.086) 4.510 8.439 ( -4.526 -4.641 -3.427) 7.333 8.439 ( -4.526 -4.641 3.427) 7.333 9.043 ( -0.854 -6.178 -2.838) 6.852 9.043 ( -0.854 -6.178 2.838) 6.852 9.235 ( -0.261 1.327 -2.395) 2.751 9.235 ( -0.261 1.327 2.395) 2.751 9.364 ( -1.001 -6.613 -4.262) 7.931 9.364 ( -1.001 -6.613 4.262) 7.931 9.725 ( 0.612 2.636 -2.056) 3.398 9.725 ( 0.612 2.636 2.056) 3.398 11.647 ( 1.265 5.469 -1.701) 5.865 11.647 ( 1.265 5.469 1.701) 5.865 12.067 ( -0.902 -0.578 -1.976) 2.248 12.067 ( -0.902 -0.578 1.976) 2.248 13.072 ( 2.957 0.523 -1.239) 3.249 13.072 ( 2.957 0.523 1.239) 3.249 13.425 ( 4.675 5.706 -1.195) 7.473 13.425 ( 4.675 5.706 1.195) 7.473 13.788 ( -4.874 -0.558 -4.603) 6.727 13.788 ( -4.874 -0.558 4.603) 6.727 14.758 ( -0.046 -1.794 -0.607) 1.894 14.758 ( -0.046 -1.794 0.607) 1.894 14.982 ( -1.967 1.685 -2.633) 3.694 14.982 ( -1.967 1.685 2.633) 3.694 15.358 ( -1.395 -0.970 -3.760) 4.127 15.358 ( -1.395 -0.970 3.760) 4.127 16.867 ( 1.640 -1.153 -7.661) 7.919 16.867 ( 1.640 -1.153 7.661) 7.919 17.557 ( -1.693 -8.683 -3.417) 9.483 17.557 ( -1.693 -8.683 3.417) 9.483 23.774 ( 0.200 8.428 -0.690) 8.459 23.774 ( 0.200 8.428 0.690) 8.459 23.824 ( -0.341 2.373 -1.398) 2.775 23.824 ( -0.341 2.373 1.398) 2.775 24.385 ( 0.109 5.568 -0.979) 5.654 24.385 ( 0.109 5.568 0.979) 5.654 24.606 ( -0.489 -0.802 -1.102) 1.448 24.606 ( -0.489 -0.802 1.102) 1.448 26.583 ( 9.856 -0.987 -3.206) 10.411 26.583 ( 9.856 -0.987 3.206) 10.411 27.399 ( -14.160 -1.708 -9.269) 17.010 27.399 ( -14.160 -1.708 9.269) 17.010 29.036 ( 6.358 0.613 -3.956) 7.513 29.036 ( 6.358 0.613 3.956) 7.513 29.947 ( -0.753 -4.420 -10.170) 11.115 29.947 ( -0.753 -4.420 10.170) 11.115 ======================= Grid point 239 (81/90) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( -0.000 10.578 0.000) 10.578 3.049 ( 0.000 10.578 0.000) 10.578 3.099 ( -0.000 -1.203 0.000) 1.203 3.099 ( 0.000 -1.203 0.000) 1.203 3.344 ( -0.000 1.285 0.000) 1.285 3.344 ( 0.000 1.285 0.000) 1.285 3.443 ( -0.000 7.257 0.000) 7.257 3.443 ( 0.000 7.257 0.000) 7.257 3.642 ( -0.000 14.206 -0.000) 14.206 3.642 ( 0.000 14.206 -0.000) 14.206 4.414 ( -0.000 -1.150 0.000) 1.150 4.414 ( 0.000 -1.150 0.000) 1.150 4.822 ( 0.000 -2.238 0.000) 2.238 4.822 ( -0.000 -2.238 0.000) 2.238 4.978 ( -0.000 0.588 0.000) 0.588 4.978 ( 0.000 0.588 0.000) 0.588 5.079 ( 0.000 -0.867 0.000) 0.867 5.079 ( 0.000 -0.867 0.000) 0.867 5.407 ( -0.000 9.786 0.000) 9.786 5.407 ( 0.000 9.786 0.000) 9.786 5.596 ( -0.000 -3.573 0.000) 3.573 5.596 ( 0.000 -3.573 0.000) 3.573 6.066 ( 0.000 1.297 0.000) 1.297 6.066 ( 0.000 1.297 0.000) 1.297 6.169 ( 0.000 0.545 0.000) 0.545 6.169 ( 0.000 0.545 0.000) 0.545 6.767 ( -0.000 -2.632 0.000) 2.632 6.767 ( 0.000 -2.632 0.000) 2.632 6.877 ( -0.000 1.026 0.000) 1.026 6.877 ( 0.000 1.026 0.000) 1.026 6.920 ( -0.000 -6.139 -0.000) 6.139 6.920 ( 0.000 -6.139 -0.000) 6.139 7.497 ( 0.000 2.902 0.000) 2.902 7.497 ( 0.000 2.902 0.000) 2.902 7.753 ( -0.000 5.199 0.000) 5.199 7.753 ( 0.000 5.199 0.000) 5.199 8.147 ( 0.000 0.206 0.000) 0.206 8.147 ( 0.000 0.206 0.000) 0.206 8.339 ( -0.000 -6.089 0.000) 6.089 8.339 ( 0.000 -6.089 0.000) 6.089 9.036 ( -0.000 -5.523 0.000) 5.523 9.036 ( 0.000 -5.523 0.000) 5.523 9.240 ( -0.000 2.925 0.000) 2.925 9.240 ( 0.000 2.925 0.000) 2.925 9.346 ( -0.000 -9.336 0.000) 9.336 9.346 ( 0.000 -9.336 0.000) 9.336 9.730 ( 0.000 1.955 0.000) 1.955 9.730 ( 0.000 1.955 0.000) 1.955 11.665 ( -0.000 7.046 0.000) 7.046 11.665 ( 0.000 7.046 0.000) 7.046 12.054 ( -0.000 -1.580 0.000) 1.580 12.054 ( 0.000 -1.580 0.000) 1.580 13.110 ( -0.000 -3.770 0.000) 3.770 13.110 ( 0.000 -3.770 0.000) 3.770 13.534 ( -0.000 14.301 0.000) 14.301 13.534 ( 0.000 14.301 0.000) 14.301 13.680 ( -0.000 -4.632 0.000) 4.632 13.680 ( 0.000 -4.632 0.000) 4.632 14.757 ( -0.000 -2.039 0.000) 2.039 14.757 ( 0.000 -2.039 0.000) 2.039 14.957 ( 0.000 1.194 0.000) 1.194 14.957 ( 0.000 1.194 0.000) 1.194 15.336 ( 0.000 -0.814 0.000) 0.814 15.336 ( 0.000 -0.814 0.000) 0.814 16.891 ( 0.000 -1.470 0.000) 1.470 16.891 ( 0.000 -1.470 0.000) 1.470 17.533 ( 0.000 -8.140 0.000) 8.140 17.533 ( 0.000 -8.140 0.000) 8.140 23.778 ( -0.000 9.473 0.000) 9.473 23.778 ( 0.000 9.473 0.000) 9.473 23.819 ( -0.000 1.087 -0.000) 1.087 23.819 ( 0.000 1.087 -0.000) 1.087 24.387 ( -0.000 6.015 0.000) 6.015 24.387 ( 0.000 6.015 0.000) 6.015 24.599 ( 0.000 -0.979 0.000) 0.979 24.599 ( 0.000 -0.979 0.000) 0.979 26.781 ( 0.000 -0.372 0.000) 0.372 26.781 ( 0.000 -0.372 0.000) 0.372 27.145 ( 0.000 -2.574 0.000) 2.574 27.145 ( 0.000 -2.574 0.000) 2.574 29.123 ( -0.000 1.950 0.000) 1.950 29.123 ( 0.000 1.950 0.000) 1.950 29.936 ( -0.000 -5.638 0.000) 5.638 29.936 ( 0.000 -5.638 0.000) 5.638 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( 0.000 2.583 -3.235) 4.140 3.130 ( 0.000 2.583 3.235) 4.140 3.408 ( 0.000 12.258 -2.119) 12.440 3.408 ( 0.000 12.258 2.119) 12.440 3.525 ( 0.000 -0.189 -7.515) 7.517 3.525 ( 0.000 -0.189 7.515) 7.517 3.556 ( 0.000 16.510 -1.926) 16.622 3.556 ( 0.000 16.510 1.926) 16.622 4.113 ( 0.000 2.825 -0.846) 2.949 4.113 ( 0.000 2.825 0.846) 2.949 4.239 ( 0.000 11.295 -10.244) 15.248 4.239 ( 0.000 11.295 10.244) 15.248 4.686 ( 0.000 0.442 -4.223) 4.247 4.686 ( 0.000 0.442 4.223) 4.247 4.822 ( 0.000 -7.587 -6.682) 10.110 4.822 ( 0.000 -7.587 6.682) 10.110 5.141 ( 0.000 2.923 -13.214) 13.534 5.141 ( 0.000 2.923 13.214) 13.534 5.420 ( 0.000 10.593 -0.529) 10.606 5.420 ( 0.000 10.593 0.529) 10.606 5.780 ( 0.000 -3.986 -3.603) 5.373 5.780 ( 0.000 -3.986 3.603) 5.373 6.021 ( 0.000 -0.775 -1.903) 2.054 6.021 ( 0.000 -0.775 1.903) 2.055 6.133 ( 0.000 -3.754 -3.070) 4.850 6.133 ( 0.000 -3.754 3.070) 4.850 6.625 ( 0.000 8.591 -27.735) 29.035 6.625 ( 0.000 8.591 27.735) 29.035 6.734 ( 0.000 -10.093 -12.055) 15.723 6.734 ( 0.000 -10.093 12.055) 15.723 7.004 ( 0.000 -0.579 -6.072) 6.100 7.004 ( 0.000 -0.579 6.072) 6.100 7.651 ( 0.000 -1.477 -0.297) 1.506 7.651 ( 0.000 -1.477 0.297) 1.506 7.690 ( 0.000 4.542 -3.326) 5.630 7.690 ( 0.000 4.542 3.326) 5.630 8.036 ( 0.000 1.040 -0.809) 1.317 8.036 ( 0.000 1.040 0.809) 1.317 8.412 ( 0.000 -2.153 -0.202) 2.162 8.412 ( 0.000 -2.153 0.202) 2.162 8.906 ( 0.000 -7.739 -2.001) 7.994 8.906 ( 0.000 -7.739 2.001) 7.994 9.154 ( 0.000 -6.487 -2.180) 6.844 9.154 ( 0.000 -6.487 2.180) 6.844 9.380 ( 0.000 1.759 -2.388) 2.966 9.380 ( 0.000 1.759 2.388) 2.966 9.724 ( 0.000 -2.496 -1.985) 3.189 9.724 ( 0.000 -2.496 1.985) 3.189 11.743 ( 0.000 7.272 -0.497) 7.289 11.743 ( 0.000 7.272 0.497) 7.289 12.086 ( 0.000 0.364 -2.533) 2.559 12.086 ( 0.000 0.364 2.533) 2.559 13.132 ( 0.000 5.315 -1.049) 5.418 13.132 ( 0.000 5.315 1.049) 5.418 13.384 ( 0.000 -1.828 -0.110) 1.831 13.384 ( 0.000 -1.828 0.110) 1.831 13.859 ( 0.000 3.328 -6.321) 7.143 13.859 ( 0.000 3.328 6.321) 7.143 14.709 ( 0.000 -3.174 -2.218) 3.872 14.709 ( 0.000 -3.174 2.218) 3.872 15.080 ( 0.000 4.373 -4.430) 6.225 15.080 ( 0.000 4.373 4.430) 6.225 15.347 ( 0.000 -1.722 -4.794) 5.094 15.347 ( 0.000 -1.722 4.794) 5.094 16.822 ( 0.000 -1.217 -7.693) 7.789 16.822 ( 0.000 -1.217 7.693) 7.789 17.356 ( 0.000 -12.697 -4.841) 13.588 17.356 ( 0.000 -12.697 4.841) 13.588 23.854 ( 0.000 3.524 -0.747) 3.603 23.854 ( 0.000 3.524 0.747) 3.603 24.026 ( 0.000 12.697 -0.454) 12.705 24.026 ( 0.000 12.697 0.454) 12.705 24.457 ( 0.000 0.384 -2.339) 2.370 24.457 ( 0.000 0.384 2.339) 2.370 24.635 ( 0.000 4.154 -0.794) 4.229 24.635 ( 0.000 4.154 0.794) 4.229 26.438 ( 0.000 -1.434 -0.430) 1.497 26.438 ( 0.000 -1.434 0.430) 1.497 27.553 ( 0.000 -1.955 -8.027) 8.262 27.553 ( 0.000 -1.955 8.027) 8.262 28.925 ( 0.000 -0.831 -0.712) 1.095 28.925 ( 0.000 -0.831 0.712) 1.095 29.876 ( 0.000 -4.503 -9.916) 10.891 29.876 ( 0.000 -4.503 9.916) 10.891 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( -1.557 1.463 -5.032) 5.467 3.102 ( -1.557 1.463 5.032) 5.467 3.331 ( -10.317 0.230 -6.898) 12.412 3.331 ( -10.317 0.230 6.898) 12.412 3.447 ( 2.671 14.079 -10.361) 17.684 3.447 ( 2.671 14.079 10.361) 17.684 3.614 ( 2.060 14.509 -3.287) 15.019 3.614 ( 2.060 14.509 3.287) 15.019 3.993 ( -8.472 8.021 -7.501) 13.870 3.993 ( -8.472 8.021 7.501) 13.870 4.330 ( 5.573 -0.145 -2.078) 5.950 4.330 ( 5.573 -0.145 2.078) 5.950 4.724 ( 3.184 -1.882 -3.390) 5.017 4.724 ( 3.184 -1.882 3.390) 5.017 4.984 ( 10.281 4.194 -7.328) 13.304 4.984 ( 10.281 4.194 7.328) 13.304 5.102 ( -2.221 2.151 -7.258) 7.889 5.102 ( -2.221 2.151 7.258) 7.889 5.424 ( 0.976 7.293 -1.593) 7.529 5.424 ( 0.976 7.293 1.593) 7.529 5.733 ( -5.114 -1.053 -2.875) 5.961 5.733 ( -5.114 -1.053 2.875) 5.961 6.025 ( 1.242 -1.163 -2.559) 3.073 6.025 ( 1.242 -1.163 2.559) 3.073 6.160 ( 1.221 -3.515 -2.569) 4.522 6.160 ( 1.221 -3.515 2.569) 4.522 6.664 ( 1.475 0.236 -14.309) 14.386 6.664 ( 1.475 0.236 14.309) 14.386 6.744 ( 2.661 -4.230 -11.490) 12.530 6.744 ( 2.661 -4.230 11.490) 12.530 6.981 ( -2.172 0.079 -8.351) 8.629 6.981 ( -2.172 0.079 8.351) 8.630 7.590 ( -2.926 2.059 -2.339) 4.275 7.590 ( -2.926 2.059 2.339) 4.275 7.789 ( 6.213 3.264 -1.411) 7.158 7.789 ( 6.213 3.264 1.411) 7.158 8.058 ( 2.134 -0.286 -2.569) 3.352 8.058 ( 2.134 -0.286 2.569) 3.352 8.345 ( -6.101 -3.682 -3.192) 7.808 8.345 ( -6.101 -3.682 3.192) 7.808 8.923 ( 1.352 -5.727 -2.124) 6.256 8.923 ( 1.352 -5.727 2.124) 6.256 9.153 ( 0.041 -7.170 -3.241) 7.869 9.153 ( 0.041 -7.170 3.241) 7.869 9.333 ( -3.152 1.613 -1.164) 3.727 9.333 ( -3.152 1.613 1.164) 3.727 9.721 ( -0.404 -3.248 -1.822) 3.746 9.721 ( -0.404 -3.248 1.822) 3.746 11.783 ( 3.105 7.903 -0.341) 8.498 11.783 ( 3.105 7.903 0.341) 8.498 12.064 ( -1.819 0.382 -2.189) 2.871 12.064 ( -1.819 0.382 2.189) 2.871 13.093 ( -2.138 1.731 -0.679) 2.833 13.093 ( -2.138 1.731 0.679) 2.833 13.469 ( 5.568 -3.222 -1.129) 6.532 13.469 ( 5.568 -3.222 1.129) 6.532 13.854 ( -0.335 8.504 -5.372) 10.064 13.854 ( -0.335 8.504 5.372) 10.064 14.706 ( -0.455 -3.499 -2.007) 4.059 14.706 ( -0.455 -3.499 2.007) 4.059 15.032 ( -3.009 3.460 -3.254) 5.623 15.032 ( -3.009 3.460 3.254) 5.623 15.333 ( -1.196 -1.627 -3.367) 3.926 15.333 ( -1.196 -1.627 3.367) 3.926 16.841 ( 1.309 -1.257 -5.633) 5.918 16.841 ( 1.309 -1.257 5.633) 5.918 17.343 ( -0.880 -12.178 -3.724) 12.765 17.343 ( -0.880 -12.178 3.724) 12.765 23.859 ( 0.336 3.587 -0.523) 3.641 23.859 ( 0.336 3.587 0.523) 3.641 24.008 ( -1.332 11.326 -0.564) 11.418 24.008 ( -1.332 11.326 0.564) 11.418 24.484 ( 2.161 2.667 -2.096) 4.022 24.484 ( 2.161 2.667 2.096) 4.022 24.616 ( -1.629 3.229 -0.797) 3.704 24.616 ( -1.629 3.229 0.797) 3.704 26.560 ( 10.257 -1.199 -2.561) 10.639 26.560 ( 10.257 -1.199 2.561) 10.639 27.355 ( -15.044 -2.645 -7.408) 16.976 27.355 ( -15.044 -2.645 7.408) 16.976 29.054 ( 8.868 1.221 -3.568) 9.636 29.054 ( 8.868 1.221 3.568) 9.636 29.837 ( -3.004 -6.275 -8.006) 10.606 29.837 ( -3.004 -6.275 8.006) 10.606 ======================= Grid point 249 (84/90) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( -0.000 0.396 0.000) 0.396 3.088 ( 0.000 0.396 0.000) 0.396 3.189 ( -0.000 2.421 0.000) 2.421 3.189 ( 0.000 2.421 0.000) 2.421 3.520 ( -0.000 15.580 0.000) 15.580 3.520 ( 0.000 15.580 0.000) 15.580 3.599 ( -0.000 7.493 0.000) 7.493 3.599 ( 0.000 7.493 0.000) 7.493 3.893 ( -0.000 9.289 0.000) 9.289 3.893 ( 0.000 9.289 0.000) 9.289 4.386 ( -0.000 -1.454 0.000) 1.454 4.386 ( 0.000 -1.454 0.000) 1.454 4.788 ( -0.000 0.874 0.000) 0.874 4.788 ( 0.000 0.874 0.000) 0.874 5.024 ( -0.000 4.353 0.000) 4.353 5.024 ( 0.000 4.353 0.000) 4.353 5.168 ( 0.000 8.586 -0.000) 8.586 5.168 ( -0.000 8.586 -0.000) 8.586 5.483 ( -0.000 -7.855 0.000) 7.855 5.483 ( 0.000 -7.855 0.000) 7.855 5.601 ( -0.000 10.229 0.000) 10.229 5.601 ( 0.000 10.229 0.000) 10.229 6.066 ( -0.000 -1.806 0.000) 1.806 6.066 ( 0.000 -1.806 0.000) 1.806 6.155 ( -0.000 -2.723 0.000) 2.723 6.155 ( 0.000 -2.723 0.000) 2.723 6.667 ( 0.000 -7.594 0.000) 7.594 6.667 ( 0.000 -7.594 0.000) 7.594 6.825 ( -0.000 -1.816 0.000) 1.816 6.825 ( 0.000 -1.816 0.000) 1.816 6.927 ( -0.000 3.550 -0.000) 3.550 6.927 ( 0.000 3.550 -0.000) 3.550 7.552 ( 0.000 2.788 0.000) 2.788 7.552 ( 0.000 2.788 0.000) 2.788 7.885 ( -0.000 7.294 0.000) 7.294 7.885 ( 0.000 7.294 0.000) 7.294 8.151 ( -0.000 0.152 0.000) 0.152 8.151 ( 0.000 0.152 0.000) 0.152 8.182 ( -0.000 -9.143 0.000) 9.143 8.182 ( 0.000 -9.143 0.000) 9.143 8.944 ( -0.000 -3.469 0.000) 3.469 8.944 ( 0.000 -3.469 0.000) 3.469 9.156 ( -0.000 -9.386 0.000) 9.386 9.156 ( 0.000 -9.386 0.000) 9.386 9.288 ( -0.000 2.295 0.000) 2.295 9.288 ( 0.000 2.295 0.000) 2.295 9.713 ( -0.000 -3.900 0.000) 3.900 9.713 ( 0.000 -3.900 0.000) 3.900 11.834 ( -0.000 9.196 0.000) 9.196 11.834 ( 0.000 9.196 0.000) 9.196 12.032 ( -0.000 -0.272 0.000) 0.272 12.032 ( 0.000 -0.272 0.000) 0.272 13.067 ( -0.000 -0.548 0.000) 0.548 13.067 ( 0.000 -0.548 0.000) 0.548 13.547 ( -0.000 -8.775 0.000) 8.775 13.547 ( 0.000 -8.775 0.000) 8.775 13.849 ( -0.000 16.954 0.000) 16.954 13.849 ( 0.000 16.954 0.000) 16.954 14.695 ( 0.000 -4.313 0.000) 4.313 14.695 ( 0.000 -4.313 0.000) 4.313 14.994 ( 0.000 2.772 0.000) 2.772 14.994 ( 0.000 2.772 0.000) 2.772 15.313 ( 0.000 -1.669 0.000) 1.669 15.313 ( 0.000 -1.669 0.000) 1.669 16.860 ( 0.000 -1.311 0.000) 1.311 16.860 ( 0.000 -1.311 0.000) 1.311 17.331 ( 0.000 -11.660 0.000) 11.660 17.331 ( 0.000 -11.660 0.000) 11.660 23.864 ( -0.000 3.664 0.000) 3.664 23.864 ( 0.000 3.664 0.000) 3.664 23.988 ( -0.000 10.132 0.000) 10.132 23.988 ( 0.000 10.132 0.000) 10.132 24.524 ( -0.000 7.179 0.000) 7.179 24.524 ( 0.000 7.179 0.000) 7.179 24.583 ( -0.000 -0.118 0.000) 0.118 24.583 ( 0.000 -0.118 0.000) 0.118 26.779 ( 0.000 0.395 0.000) 0.395 26.779 ( 0.000 0.395 0.000) 0.395 27.074 ( 0.000 -4.552 0.000) 4.552 27.074 ( 0.000 -4.552 0.000) 4.552 29.182 ( -0.000 4.070 0.000) 4.070 29.182 ( 0.000 4.070 0.000) 4.070 29.788 ( -0.000 -8.984 0.000) 8.984 29.788 ( 0.000 -8.984 0.000) 8.984 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 0.000 3.657 -1.171) 3.839 3.194 ( 0.000 3.657 1.171) 3.839 3.406 ( 0.000 -4.294 -5.396) 6.896 3.406 ( 0.000 -4.294 5.396) 6.896 3.672 ( 0.000 8.568 -0.853) 8.610 3.672 ( 0.000 8.568 0.853) 8.610 3.942 ( 0.000 19.881 -2.613) 20.052 3.942 ( 0.000 19.881 2.613) 20.052 4.200 ( 0.000 5.197 -0.890) 5.273 4.200 ( 0.000 5.197 0.890) 5.273 4.321 ( 0.000 -2.269 -6.135) 6.541 4.321 ( 0.000 -2.269 6.135) 6.541 4.627 ( 0.000 -6.981 -2.672) 7.475 4.627 ( 0.000 -6.981 2.672) 7.475 4.695 ( 0.000 -4.009 -6.350) 7.510 4.695 ( 0.000 -4.009 6.350) 7.510 5.249 ( 0.000 6.467 -10.211) 12.087 5.249 ( 0.000 6.467 10.211) 12.087 5.648 ( 0.000 8.627 -10.598) 13.665 5.648 ( 0.000 8.627 10.598) 13.665 5.768 ( 0.000 4.302 -5.856) 7.266 5.768 ( 0.000 4.302 5.856) 7.266 5.984 ( 0.000 -2.075 -1.467) 2.541 5.984 ( 0.000 -2.075 1.467) 2.541 6.029 ( 0.000 -5.412 -8.081) 9.726 6.029 ( 0.000 -5.412 8.081) 9.726 6.524 ( 0.000 -10.129 -7.650) 12.694 6.524 ( 0.000 -10.129 7.650) 12.694 6.759 ( 0.000 4.506 -14.485) 15.170 6.759 ( 0.000 4.506 14.485) 15.170 7.042 ( 0.000 3.135 -0.741) 3.221 7.042 ( 0.000 3.135 0.741) 3.221 7.598 ( 0.000 -2.444 -0.607) 2.518 7.598 ( 0.000 -2.444 0.607) 2.518 7.749 ( 0.000 0.264 -0.044) 0.268 7.749 ( 0.000 0.264 0.044) 0.268 8.058 ( 0.000 1.627 -1.993) 2.573 8.058 ( 0.000 1.627 1.993) 2.573 8.419 ( 0.000 2.073 -2.241) 3.053 8.419 ( 0.000 2.073 2.241) 3.053 8.779 ( 0.000 -4.763 -1.200) 4.912 8.779 ( 0.000 -4.763 1.200) 4.912 9.044 ( 0.000 -4.320 -1.746) 4.660 9.044 ( 0.000 -4.320 1.746) 4.660 9.405 ( 0.000 0.782 -3.232) 3.325 9.405 ( 0.000 0.782 3.232) 3.325 9.638 ( 0.000 -5.076 -2.172) 5.521 9.638 ( 0.000 -5.076 2.172) 5.521 11.896 ( 0.000 7.756 -2.702) 8.214 11.896 ( 0.000 7.756 2.702) 8.214 12.087 ( 0.000 -0.605 -3.206) 3.263 12.087 ( 0.000 -0.605 3.206) 3.263 13.214 ( 0.000 2.858 -0.826) 2.974 13.214 ( 0.000 2.858 0.826) 2.974 13.303 ( 0.000 -5.182 -0.139) 5.184 13.303 ( 0.000 -5.182 0.139) 5.184 13.969 ( 0.000 6.488 -5.731) 8.656 13.969 ( 0.000 6.488 5.731) 8.656 14.642 ( 0.000 -3.387 -2.811) 4.401 14.642 ( 0.000 -3.387 2.811) 4.401 15.171 ( 0.000 4.469 -4.573) 6.394 15.171 ( 0.000 4.469 4.573) 6.394 15.311 ( 0.000 -1.904 -4.311) 4.713 15.311 ( 0.000 -1.904 4.311) 4.713 16.804 ( 0.000 -0.441 -3.720) 3.747 16.804 ( 0.000 -0.441 3.720) 3.747 17.129 ( 0.000 -9.397 -3.883) 10.168 17.129 ( 0.000 -9.397 3.883) 10.168 23.932 ( 0.000 3.922 -1.180) 4.096 23.932 ( 0.000 3.922 1.180) 4.096 24.241 ( 0.000 8.085 -0.181) 8.087 24.241 ( 0.000 8.085 0.181) 8.087 24.418 ( 0.000 -2.817 -1.808) 3.347 24.418 ( 0.000 -2.817 1.808) 3.347 24.738 ( 0.000 4.759 -0.600) 4.797 24.738 ( 0.000 4.759 0.600) 4.797 26.414 ( 0.000 -0.911 -0.218) 0.937 26.414 ( 0.000 -0.911 0.218) 0.937 27.517 ( 0.000 -1.534 -4.545) 4.796 27.517 ( 0.000 -1.534 4.545) 4.796 28.911 ( 0.000 -0.526 -0.080) 0.532 28.911 ( 0.000 -0.526 0.080) 0.532 29.799 ( 0.000 -2.999 -5.187) 5.991 29.799 ( 0.000 -2.999 5.187) 5.991 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( -3.233 1.996 -3.432) 5.120 3.137 ( -3.233 1.996 3.432) 5.120 3.317 ( -6.489 -1.099 -3.920) 7.660 3.317 ( -6.489 -1.099 3.920) 7.660 3.655 ( 0.298 7.366 -7.820) 10.747 3.655 ( 0.298 7.366 7.820) 10.747 3.932 ( -6.528 11.908 -7.090) 15.320 3.932 ( -6.528 11.908 7.090) 15.320 4.058 ( -5.013 3.309 -5.748) 8.314 4.058 ( -5.013 3.309 5.748) 8.314 4.334 ( 3.072 -0.101 -3.212) 4.446 4.334 ( 3.072 -0.101 3.212) 4.446 4.717 ( 9.177 1.143 -6.376) 11.233 4.717 ( 9.177 1.143 6.376) 11.233 4.974 ( 15.249 -4.852 -4.989) 16.762 4.974 ( 15.249 -4.852 4.989) 16.762 5.212 ( -2.899 7.139 -10.095) 12.700 5.212 ( -2.899 7.139 10.095) 12.700 5.560 ( -7.377 4.586 -10.769) 13.835 5.560 ( -7.377 4.586 10.769) 13.835 5.794 ( 1.431 6.407 -4.330) 7.864 5.794 ( 1.431 6.407 4.330) 7.864 5.991 ( 0.616 -0.893 -3.656) 3.814 5.991 ( 0.616 -0.893 3.656) 3.814 6.060 ( 1.951 -4.741 -4.469) 6.801 6.060 ( 1.951 -4.741 4.469) 6.801 6.500 ( -1.791 -10.924 -6.009) 12.596 6.500 ( -1.791 -10.924 6.009) 12.596 6.803 ( 3.596 4.334 -11.548) 12.848 6.803 ( 3.596 4.334 11.548) 12.848 7.021 ( -1.857 2.674 -0.571) 3.306 7.021 ( -1.857 2.674 0.571) 3.306 7.617 ( 0.683 1.397 -2.736) 3.147 7.617 ( 0.683 1.397 2.736) 3.147 7.802 ( 5.481 -2.567 -3.128) 6.812 7.802 ( 5.481 -2.567 3.128) 6.812 8.057 ( 0.085 0.642 -1.673) 1.794 8.057 ( 0.085 0.642 1.673) 1.794 8.326 ( -7.769 1.246 -2.900) 8.385 8.326 ( -7.769 1.246 2.900) 8.385 8.831 ( 4.075 -3.440 -1.417) 5.518 8.831 ( 4.075 -3.440 1.417) 5.518 9.032 ( -1.300 -4.645 -2.367) 5.372 9.032 ( -1.300 -4.645 2.367) 5.372 9.373 ( -2.142 2.399 -2.163) 3.876 9.373 ( -2.142 2.399 2.163) 3.876 9.617 ( -1.597 -6.383 -1.818) 6.827 9.617 ( -1.597 -6.383 1.818) 6.827 11.934 ( 3.013 6.962 -1.705) 7.775 11.934 ( 3.013 6.962 1.705) 7.775 12.076 ( -1.130 0.382 -2.540) 2.806 12.076 ( -1.130 0.382 2.540) 2.806 13.138 ( -3.936 2.796 -0.526) 4.857 13.138 ( -3.936 2.796 0.526) 4.857 13.343 ( 1.423 -7.789 -0.177) 7.920 13.343 ( 1.423 -7.789 0.177) 7.920 14.056 ( 6.676 9.927 -4.696) 12.852 14.056 ( 6.676 9.927 4.696) 12.852 14.626 ( -1.755 -4.321 -2.815) 5.447 14.626 ( -1.755 -4.321 2.815) 5.447 15.113 ( -3.600 4.600 -3.439) 6.778 15.113 ( -3.600 4.600 3.439) 6.778 15.292 ( -1.673 -2.685 -3.034) 4.384 15.292 ( -1.673 -2.685 3.034) 4.384 16.831 ( 1.897 0.517 -2.982) 3.572 16.831 ( 1.897 0.517 2.982) 3.572 17.119 ( -0.753 -9.835 -3.081) 10.334 17.119 ( -0.753 -9.835 3.081) 10.334 23.942 ( 0.831 4.458 -0.925) 4.628 23.942 ( 0.831 4.458 0.925) 4.628 24.165 ( -4.326 3.745 -0.483) 5.742 24.165 ( -4.326 3.745 0.483) 5.742 24.506 ( 5.610 1.248 -1.447) 5.927 24.506 ( 5.610 1.248 1.447) 5.927 24.709 ( -2.518 4.533 -0.628) 5.223 24.709 ( -2.518 4.533 0.628) 5.223 26.541 ( 10.877 -0.652 -1.479) 10.996 26.541 ( 10.877 -0.652 1.479) 10.996 27.306 ( -16.088 -2.075 -4.216) 16.760 27.306 ( -16.088 -2.075 4.216) 16.760 29.080 ( 12.241 1.221 -2.403) 12.534 29.080 ( 12.241 1.221 2.403) 12.534 29.726 ( -6.153 -4.572 -4.639) 8.960 29.726 ( -6.153 -4.572 4.639) 8.960 ======================= Grid point 259 (87/90) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( -0.000 2.443 0.000) 2.443 3.117 ( 0.000 2.443 0.000) 2.443 3.201 ( -0.000 -0.564 0.000) 0.564 3.201 ( 0.000 -0.564 0.000) 0.564 3.707 ( -0.000 3.469 0.000) 3.469 3.707 ( 0.000 3.469 0.000) 3.469 3.754 ( -0.000 4.244 -0.000) 4.244 3.754 ( 0.000 4.244 -0.000) 4.244 4.057 ( -0.000 11.083 0.000) 11.083 4.057 ( 0.000 11.083 0.000) 11.083 4.357 ( -0.000 -2.021 0.000) 2.021 4.357 ( 0.000 -2.021 0.000) 2.021 4.871 ( -0.000 6.763 -0.000) 6.763 4.871 ( 0.000 6.763 -0.000) 6.763 5.130 ( -0.000 4.206 0.000) 4.206 5.130 ( 0.000 4.206 0.000) 4.206 5.313 ( -0.000 -7.272 0.000) 7.272 5.313 ( 0.000 -7.272 0.000) 7.272 5.335 ( -0.000 5.863 -0.000) 5.863 5.335 ( 0.000 5.863 -0.000) 5.863 5.817 ( 0.000 11.025 0.000) 11.025 5.817 ( -0.000 11.025 0.000) 11.025 6.003 ( -0.000 -4.062 0.000) 4.062 6.003 ( 0.000 -4.062 0.000) 4.062 6.079 ( -0.000 -2.303 0.000) 2.303 6.079 ( 0.000 -2.303 0.000) 2.303 6.474 ( 0.000 -11.997 0.000) 11.997 6.474 ( 0.000 -11.997 0.000) 11.997 6.868 ( -0.000 5.058 0.000) 5.058 6.868 ( 0.000 5.058 0.000) 5.058 6.983 ( -0.000 1.384 -0.000) 1.384 6.983 ( 0.000 1.384 0.000) 1.384 7.619 ( 0.000 4.610 0.000) 4.610 7.619 ( 0.000 4.610 0.000) 4.610 7.921 ( -0.000 -7.352 0.000) 7.352 7.921 ( 0.000 -7.352 0.000) 7.352 8.087 ( -0.000 2.832 0.000) 2.832 8.087 ( 0.000 2.832 0.000) 2.832 8.154 ( -0.000 0.070 0.000) 0.070 8.154 ( 0.000 0.070 0.000) 0.070 8.904 ( 0.000 -0.765 0.000) 0.765 8.904 ( 0.000 -0.765 0.000) 0.765 8.998 ( -0.000 -6.398 0.000) 6.398 8.998 ( 0.000 -6.398 0.000) 6.398 9.344 ( -0.000 3.793 0.000) 3.793 9.344 ( 0.000 3.793 0.000) 3.793 9.593 ( -0.000 -7.618 0.000) 7.618 9.593 ( 0.000 -7.618 0.000) 7.618 11.991 ( -0.000 6.166 0.000) 6.166 11.991 ( 0.000 6.166 0.000) 6.166 12.046 ( -0.000 1.392 0.000) 1.392 12.046 ( 0.000 1.392 0.000) 1.392 13.089 ( -0.000 2.844 0.000) 2.844 13.089 ( 0.000 2.844 0.000) 2.844 13.356 ( -0.000 -10.005 0.000) 10.005 13.356 ( 0.000 -10.005 0.000) 10.005 14.165 ( -0.000 14.730 0.000) 14.730 14.165 ( 0.000 14.730 0.000) 14.730 14.584 ( 0.000 -7.113 0.000) 7.113 14.584 ( 0.000 -7.113 0.000) 7.113 15.069 ( 0.000 4.825 0.000) 4.825 15.069 ( 0.000 4.825 0.000) 4.825 15.264 ( 0.000 -3.545 0.000) 3.545 15.264 ( 0.000 -3.545 0.000) 3.545 16.859 ( -0.000 1.679 0.000) 1.679 16.859 ( 0.000 1.679 0.000) 1.679 17.108 ( 0.000 -10.518 0.000) 10.518 17.108 ( 0.000 -10.518 0.000) 10.518 23.957 ( -0.000 5.537 0.000) 5.537 23.957 ( 0.000 5.537 0.000) 5.537 24.107 ( -0.000 1.322 0.000) 1.322 24.107 ( 0.000 1.322 0.000) 1.322 24.614 ( -0.000 3.168 0.000) 3.168 24.614 ( 0.000 3.168 0.000) 3.168 24.639 ( -0.000 3.988 0.000) 3.988 24.639 ( 0.000 3.988 0.000) 3.988 26.805 ( -0.000 2.441 0.000) 2.441 26.805 ( 0.000 2.441 0.000) 2.441 26.974 ( 0.000 -5.358 0.000) 5.358 26.974 ( 0.000 -5.358 0.000) 5.358 29.283 ( -0.000 6.286 0.000) 6.286 29.283 ( 0.000 6.286 0.000) 6.286 29.603 ( -0.000 -9.554 0.000) 9.554 29.603 ( 0.000 -9.554 0.000) 9.554 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( 0.000 -0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 -0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 -0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 4.199 ( 0.000 -0.000 -0.000) 0.000 4.199 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 -0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 -0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.712 ( 0.000 0.000 0.000) 0.000 5.712 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 -0.000 0.000) 0.000 5.823 ( 0.000 0.000 0.000) 0.000 5.956 ( 0.000 0.000 0.000) 0.000 5.956 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 -0.000 -0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.391 ( 0.000 0.000 -0.000) 0.000 6.391 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 -0.000 0.000) 0.000 6.803 ( 0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 7.572 ( 0.000 -0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 8.081 ( 0.000 -0.000 0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.448 ( 0.000 0.000 0.000) 0.000 8.448 ( 0.000 0.000 0.000) 0.000 8.731 ( 0.000 -0.000 0.000) 0.000 8.731 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 -0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.413 ( 0.000 -0.000 0.000) 0.000 9.413 ( 0.000 0.000 0.000) 0.000 9.578 ( 0.000 0.000 0.000) 0.000 9.578 ( 0.000 0.000 0.000) 0.000 12.000 ( 0.000 0.000 0.000) 0.000 12.000 ( 0.000 0.000 0.000) 0.000 12.062 ( 0.000 0.000 0.000) 0.000 12.062 ( 0.000 -0.000 0.000) 0.000 13.241 ( 0.000 -0.000 0.000) 0.000 13.241 ( 0.000 0.000 0.000) 0.000 13.242 ( 0.000 -0.000 0.000) 0.000 13.242 ( 0.000 0.000 0.000) 0.000 14.045 ( 0.000 0.000 0.000) 0.000 14.045 ( 0.000 0.000 0.000) 0.000 14.602 ( 0.000 -0.000 0.000) 0.000 14.602 ( 0.000 0.000 0.000) 0.000 15.228 ( 0.000 0.000 0.000) 0.000 15.228 ( 0.000 0.000 0.000) 0.000 15.281 ( 0.000 -0.000 0.000) 0.000 15.281 ( 0.000 0.000 0.000) 0.000 16.803 ( 0.000 0.000 0.000) 0.000 16.803 ( 0.000 0.000 0.000) 0.000 17.029 ( 0.000 0.000 0.000) 0.000 17.029 ( 0.000 0.000 0.000) 0.000 23.978 ( 0.000 0.000 0.000) 0.000 23.978 ( 0.000 0.000 0.000) 0.000 24.316 ( 0.000 0.000 0.000) 0.000 24.316 ( 0.000 0.000 0.000) 0.000 24.389 ( 0.000 0.000 0.000) 0.000 24.389 ( 0.000 0.000 0.000) 0.000 24.788 ( 0.000 0.000 0.000) 0.000 24.788 ( 0.000 0.000 0.000) 0.000 26.405 ( 0.000 0.000 0.000) 0.000 26.405 ( 0.000 0.000 0.000) 0.000 27.500 ( 0.000 -0.000 0.000) 0.000 27.500 ( 0.000 0.000 0.000) 0.000 28.905 ( 0.000 -0.000 0.000) 0.000 28.905 ( 0.000 0.000 0.000) 0.000 29.768 ( 0.000 -0.000 0.000) 0.000 29.768 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.162 ( -4.180 -0.000 0.000) 4.180 3.162 ( -4.180 0.000 0.000) 4.180 3.300 ( -4.361 -0.000 0.000) 4.361 3.300 ( -4.361 0.000 0.000) 4.361 3.742 ( -1.344 -0.000 0.000) 1.344 3.742 ( -1.344 0.000 0.000) 1.344 3.949 ( -14.635 0.000 0.000) 14.635 3.949 ( -14.635 0.000 0.000) 14.635 4.221 ( 1.905 0.000 0.000) 1.905 4.221 ( 1.905 0.000 0.000) 1.905 4.303 ( -1.018 0.000 0.000) 1.018 4.303 ( -1.018 0.000 0.000) 1.018 4.741 ( 18.470 -0.000 0.000) 18.470 4.741 ( 18.470 0.000 0.000) 18.470 4.894 ( 11.308 -0.000 0.000) 11.308 4.894 ( 11.308 0.000 0.000) 11.308 5.299 ( -1.901 0.000 0.000) 1.901 5.299 ( -1.901 0.000 0.000) 1.901 5.593 ( -9.735 -0.000 0.000) 9.735 5.593 ( -9.735 0.000 0.000) 9.735 5.843 ( 2.473 0.000 0.000) 2.473 5.843 ( 2.473 0.000 0.000) 2.473 5.978 ( 0.681 -0.000 0.000) 0.681 5.978 ( 0.681 0.000 0.000) 0.681 6.091 ( 5.063 0.000 0.000) 5.063 6.091 ( 5.063 0.000 0.000) 5.063 6.336 ( -4.774 0.000 -0.000) 4.774 6.336 ( -4.774 0.000 0.000) 4.774 6.852 ( 4.169 -0.000 0.000) 4.169 6.852 ( 4.169 0.000 0.000) 4.169 7.051 ( -2.645 0.000 0.000) 2.645 7.051 ( -2.645 0.000 0.000) 2.645 7.644 ( 5.637 -0.000 0.000) 5.637 7.644 ( 5.637 0.000 0.000) 5.637 7.749 ( 0.656 0.000 0.000) 0.656 7.749 ( 0.656 0.000 0.000) 0.656 8.068 ( -0.147 -0.000 0.000) 0.147 8.068 ( -0.147 0.000 0.000) 0.147 8.348 ( -8.224 0.000 0.000) 8.224 8.348 ( -8.224 0.000 0.000) 8.224 8.796 ( 5.089 0.000 0.000) 5.089 8.796 ( 5.089 0.000 0.000) 5.089 8.985 ( -1.603 0.000 0.000) 1.603 8.985 ( -1.603 0.000 0.000) 1.603 9.412 ( 0.295 -0.000 0.000) 0.295 9.412 ( 0.295 0.000 0.000) 0.295 9.531 ( -3.725 -0.000 0.000) 3.725 9.531 ( -3.725 0.000 0.000) 3.725 12.022 ( 1.709 0.000 0.000) 1.709 12.022 ( 1.709 0.000 0.000) 1.709 12.068 ( 0.265 -0.000 0.000) 0.265 12.068 ( 0.265 0.000 0.000) 0.265 13.207 ( -2.165 -0.000 0.000) 2.165 13.207 ( -2.165 0.000 0.000) 2.165 13.217 ( -1.821 -0.000 0.000) 1.821 13.217 ( -1.821 0.000 0.000) 1.821 14.169 ( 9.811 0.000 0.000) 9.811 14.169 ( 9.811 0.000 0.000) 9.811 14.571 ( -3.532 -0.000 0.000) 3.532 14.571 ( -3.532 0.000 0.000) 3.532 15.183 ( -2.634 0.000 0.000) 2.634 15.183 ( -2.634 0.000 0.000) 2.634 15.242 ( -3.108 -0.000 0.000) 3.108 15.242 ( -3.108 0.000 0.000) 3.108 16.849 ( 3.610 0.000 0.000) 3.610 16.849 ( 3.610 0.000 0.000) 3.610 17.005 ( -2.073 0.000 0.000) 2.073 17.005 ( -2.073 0.000 0.000) 2.073 23.997 ( 1.801 0.000 0.000) 1.801 23.997 ( 1.801 0.000 0.000) 1.801 24.184 ( -6.460 0.000 0.000) 6.460 24.184 ( -6.460 0.000 0.000) 6.460 24.528 ( 7.024 0.000 0.000) 7.024 24.528 ( 7.024 0.000 0.000) 7.024 24.757 ( -2.746 0.000 0.000) 2.746 24.757 ( -2.746 0.000 0.000) 2.746 26.535 ( 11.225 0.000 0.000) 11.225 26.535 ( 11.225 0.000 0.000) 11.225 27.284 ( -16.594 -0.000 0.000) 16.594 27.284 ( -16.594 0.000 0.000) 16.594 29.094 ( 14.108 -0.000 0.000) 14.108 29.094 ( 14.108 0.000 0.000) 14.108 29.678 ( -7.938 -0.000 0.000) 7.938 29.678 ( -7.938 0.000 0.000) 7.938 ======================= Grid point 273 (90/90) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( -3.527 -1.773 0.000) 3.948 3.170 ( -3.527 -1.773 0.000) 3.948 3.170 ( 3.527 1.773 0.000) 3.948 3.170 ( 3.527 1.773 0.000) 3.948 3.752 ( -2.244 -1.273 0.000) 2.580 3.752 ( -2.244 -1.273 0.000) 2.580 3.752 ( 2.244 1.273 0.000) 2.580 3.752 ( 2.244 1.273 0.000) 2.580 4.269 ( -0.256 -7.930 0.000) 7.934 4.269 ( -0.256 -7.930 0.000) 7.934 4.269 ( 0.256 7.930 0.000) 7.934 4.269 ( 0.256 7.930 0.000) 7.934 5.034 ( -0.151 -9.460 0.000) 9.461 5.034 ( -0.151 -9.460 0.000) 9.461 5.034 ( 0.151 9.460 0.000) 9.461 5.034 ( 0.151 9.460 0.000) 9.461 5.339 ( -6.739 -3.236 0.000) 7.475 5.339 ( -6.739 -3.236 0.000) 7.475 5.339 ( 6.739 3.236 0.000) 7.475 5.339 ( 6.739 3.236 0.000) 7.475 5.933 ( -2.789 -2.163 0.000) 3.529 5.933 ( -2.789 -2.163 0.000) 3.529 5.933 ( 2.789 2.163 0.000) 3.529 5.933 ( 2.789 2.163 0.000) 3.529 6.213 ( -1.104 -13.329 0.000) 13.374 6.213 ( -1.104 -13.329 0.000) 13.374 6.213 ( 1.104 13.329 0.000) 13.374 6.213 ( 1.104 13.329 0.000) 13.374 6.963 ( -2.901 -2.813 0.000) 4.041 6.963 ( -2.901 -2.813 0.000) 4.041 6.963 ( 2.901 2.813 0.000) 4.041 6.963 ( 2.901 2.813 0.000) 4.041 7.747 ( -0.221 -8.315 0.000) 8.318 7.747 ( -0.221 -8.315 0.000) 8.318 7.747 ( 0.221 8.315 0.000) 8.318 7.747 ( 0.221 8.315 0.000) 8.318 8.144 ( -7.198 -0.572 0.000) 7.221 8.144 ( -7.198 -0.572 0.000) 7.221 8.144 ( 7.198 0.572 0.000) 7.221 8.144 ( 7.198 0.572 0.000) 7.221 8.915 ( -3.412 -1.474 0.000) 3.717 8.915 ( -3.412 -1.474 0.000) 3.717 8.915 ( 3.412 1.474 0.000) 3.717 8.915 ( 3.412 1.474 0.000) 3.717 9.446 ( -0.665 -6.513 0.000) 6.547 9.446 ( -0.665 -6.513 0.000) 6.547 9.446 ( 0.665 6.513 0.000) 6.547 9.446 ( 0.665 6.513 0.000) 6.547 12.059 ( -0.672 -0.726 0.000) 0.989 12.059 ( -0.672 -0.726 0.000) 0.989 12.059 ( 0.672 0.726 0.000) 0.989 12.059 ( 0.672 0.726 0.000) 0.989 13.184 ( -0.017 -7.011 0.000) 7.011 13.184 ( -0.017 -7.011 0.000) 7.011 13.184 ( 0.017 7.011 0.000) 7.011 13.184 ( 0.017 7.011 0.000) 7.011 14.413 ( -4.480 -9.553 0.000) 10.551 14.413 ( -4.480 -9.553 0.000) 10.551 14.413 ( 4.480 9.553 0.000) 10.551 14.413 ( 4.480 9.553 0.000) 10.551 15.174 ( -0.378 -5.347 0.000) 5.360 15.174 ( -0.378 -5.347 0.000) 5.360 15.174 ( 0.378 5.347 0.000) 5.360 15.174 ( 0.378 5.347 0.000) 5.360 16.938 ( -1.067 -6.246 0.000) 6.337 16.938 ( -1.067 -6.246 0.000) 6.337 16.938 ( 1.067 6.246 0.000) 6.337 16.938 ( 1.067 6.246 0.000) 6.337 24.063 ( -1.699 -4.295 0.000) 4.619 24.063 ( -1.699 -4.295 0.000) 4.619 24.063 ( 1.699 4.295 0.000) 4.619 24.063 ( 1.699 4.295 0.000) 4.619 24.667 ( -4.789 -0.456 0.000) 4.810 24.667 ( -4.789 -0.456 0.000) 4.810 24.667 ( 4.789 0.456 0.000) 4.810 24.667 ( 4.789 0.456 0.000) 4.810 26.875 ( -16.130 -2.052 0.000) 16.260 26.875 ( -16.130 -2.052 0.000) 16.260 26.875 ( 16.130 2.052 0.000) 16.260 26.875 ( 16.130 2.052 0.000) 16.260 29.426 ( -9.012 -6.354 0.000) 11.026 29.426 ( -9.012 -6.354 0.000) 11.026 29.426 ( 9.012 6.354 0.000) 11.026 29.426 ( 9.012 6.354 0.000) 11.026 =================== 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 3/26880 10.0 3981.899 10472.096 7327.277 0.000 0.000 0.000 3/26880 20.0 1101.582 1330.363 1296.124 0.000 0.000 0.000 3/26880 30.0 283.358 353.394 356.218 0.000 0.000 0.000 3/26880 40.0 115.731 147.439 146.973 0.000 0.000 0.000 3/26880 50.0 62.436 79.938 78.484 0.000 0.000 0.000 3/26880 60.0 39.723 50.874 49.421 0.000 0.000 0.000 3/26880 70.0 28.097 35.958 34.719 0.000 0.000 0.000 3/26880 80.0 21.353 27.307 26.284 0.000 0.000 0.000 3/26880 90.0 17.071 21.818 20.970 0.000 0.000 0.000 3/26880 100.0 14.161 18.093 17.377 0.000 0.000 0.000 3/26880 110.0 12.077 15.429 14.812 0.000 0.000 0.000 3/26880 120.0 10.523 13.444 12.901 0.000 0.000 0.000 3/26880 130.0 9.325 11.916 11.428 0.000 0.000 0.000 3/26880 140.0 8.376 10.706 10.261 0.000 0.000 0.000 3/26880 150.0 7.608 9.728 9.315 0.000 0.000 0.000 3/26880 160.0 6.974 8.921 8.534 0.000 0.000 0.000 3/26880 170.0 6.444 8.245 7.878 0.000 0.000 0.000 3/26880 180.0 5.993 7.670 7.321 0.000 0.000 0.000 3/26880 190.0 5.607 7.177 6.841 0.000 0.000 0.000 3/26880 200.0 5.271 6.748 6.423 0.000 0.000 0.000 3/26880 210.0 4.978 6.373 6.057 0.000 0.000 0.000 3/26880 220.0 4.719 6.041 5.733 0.000 0.000 0.000 3/26880 230.0 4.489 5.746 5.444 0.000 0.000 0.000 3/26880 240.0 4.284 5.481 5.185 0.000 0.000 0.000 3/26880 250.0 4.099 5.242 4.951 0.000 0.000 0.000 3/26880 260.0 3.932 5.026 4.739 0.000 0.000 0.000 3/26880 270.0 3.780 4.829 4.546 0.000 0.000 0.000 3/26880 280.0 3.641 4.649 4.370 0.000 0.000 0.000 3/26880 290.0 3.514 4.483 4.207 0.000 0.000 0.000 3/26880 300.0 3.397 4.330 4.057 0.000 0.000 0.000 3/26880 310.0 3.288 4.188 3.919 0.000 0.000 0.000 3/26880 320.0 3.188 4.057 3.790 0.000 0.000 0.000 3/26880 330.0 3.094 3.934 3.670 0.000 0.000 0.000 3/26880 340.0 3.007 3.820 3.558 0.000 0.000 0.000 3/26880 350.0 2.925 3.712 3.453 0.000 0.000 0.000 3/26880 360.0 2.848 3.611 3.354 0.000 0.000 0.000 3/26880 370.0 2.776 3.516 3.262 0.000 0.000 0.000 3/26880 380.0 2.708 3.427 3.174 0.000 0.000 0.000 3/26880 390.0 2.643 3.342 3.092 0.000 0.000 0.000 3/26880 400.0 2.582 3.261 3.014 0.000 0.000 0.000 3/26880 410.0 2.524 3.185 2.940 0.000 0.000 0.000 3/26880 420.0 2.469 3.113 2.870 0.000 0.000 0.000 3/26880 430.0 2.416 3.043 2.803 0.000 0.000 0.000 3/26880 440.0 2.366 2.978 2.739 0.000 0.000 0.000 3/26880 450.0 2.318 2.915 2.679 0.000 0.000 0.000 3/26880 460.0 2.272 2.855 2.621 0.000 0.000 0.000 3/26880 470.0 2.228 2.797 2.565 0.000 0.000 0.000 3/26880 480.0 2.186 2.742 2.512 0.000 0.000 0.000 3/26880 490.0 2.146 2.689 2.462 0.000 0.000 0.000 3/26880 500.0 2.107 2.638 2.413 0.000 0.000 0.000 3/26880 510.0 2.069 2.589 2.366 0.000 0.000 0.000 3/26880 520.0 2.033 2.542 2.321 0.000 0.000 0.000 3/26880 530.0 1.998 2.497 2.278 0.000 0.000 0.000 3/26880 540.0 1.965 2.453 2.237 0.000 0.000 0.000 3/26880 550.0 1.933 2.411 2.197 0.000 0.000 0.000 3/26880 560.0 1.901 2.370 2.158 0.000 0.000 0.000 3/26880 570.0 1.871 2.331 2.121 0.000 0.000 0.000 3/26880 580.0 1.842 2.293 2.085 0.000 0.000 0.000 3/26880 590.0 1.813 2.256 2.050 0.000 0.000 0.000 3/26880 600.0 1.786 2.221 2.017 0.000 0.000 0.000 3/26880 610.0 1.759 2.186 1.984 0.000 0.000 0.000 3/26880 620.0 1.733 2.153 1.953 0.000 0.000 0.000 3/26880 630.0 1.708 2.121 1.923 0.000 0.000 0.000 3/26880 640.0 1.684 2.089 1.893 0.000 0.000 0.000 3/26880 650.0 1.660 2.059 1.865 0.000 0.000 0.000 3/26880 660.0 1.637 2.029 1.837 0.000 0.000 0.000 3/26880 670.0 1.615 2.000 1.810 0.000 0.000 0.000 3/26880 680.0 1.593 1.973 1.784 0.000 0.000 0.000 3/26880 690.0 1.572 1.945 1.759 0.000 0.000 0.000 3/26880 700.0 1.552 1.919 1.734 0.000 0.000 0.000 3/26880 710.0 1.531 1.893 1.710 0.000 0.000 0.000 3/26880 720.0 1.512 1.868 1.687 0.000 0.000 0.000 3/26880 730.0 1.493 1.844 1.664 0.000 0.000 0.000 3/26880 740.0 1.474 1.820 1.642 0.000 0.000 0.000 3/26880 750.0 1.456 1.797 1.621 0.000 0.000 0.000 3/26880 760.0 1.438 1.775 1.600 0.000 0.000 0.000 3/26880 770.0 1.421 1.753 1.579 0.000 0.000 0.000 3/26880 780.0 1.404 1.731 1.560 0.000 0.000 0.000 3/26880 790.0 1.388 1.710 1.540 0.000 0.000 0.000 3/26880 800.0 1.372 1.690 1.521 0.000 0.000 0.000 3/26880 810.0 1.356 1.670 1.503 0.000 0.000 0.000 3/26880 820.0 1.341 1.650 1.485 0.000 0.000 0.000 3/26880 830.0 1.326 1.631 1.467 0.000 0.000 0.000 3/26880 840.0 1.311 1.613 1.450 0.000 0.000 0.000 3/26880 850.0 1.297 1.595 1.434 0.000 0.000 0.000 3/26880 860.0 1.283 1.577 1.417 0.000 0.000 0.000 3/26880 870.0 1.269 1.559 1.401 0.000 0.000 0.000 3/26880 880.0 1.255 1.542 1.386 0.000 0.000 0.000 3/26880 890.0 1.242 1.526 1.370 0.000 0.000 0.000 3/26880 900.0 1.229 1.509 1.355 0.000 0.000 0.000 3/26880 910.0 1.217 1.493 1.341 0.000 0.000 0.000 3/26880 920.0 1.204 1.478 1.326 0.000 0.000 0.000 3/26880 930.0 1.192 1.463 1.312 0.000 0.000 0.000 3/26880 940.0 1.180 1.448 1.299 0.000 0.000 0.000 3/26880 950.0 1.168 1.433 1.285 0.000 0.000 0.000 3/26880 960.0 1.157 1.419 1.272 0.000 0.000 0.000 3/26880 970.0 1.146 1.404 1.259 0.000 0.000 0.000 3/26880 980.0 1.135 1.391 1.246 0.000 0.000 0.000 3/26880 990.0 1.124 1.377 1.234 0.000 0.000 0.000 3/26880 1000.0 1.113 1.364 1.222 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m4810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:00:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|