----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:23:03]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.183904460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.183904460000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.713865030000000 Atomic positions (fractional): *1 Li 0.12974813849980 0.87025186150020 0.50000000000000 6.941 2 Li 0.62974813849980 0.62974813849980 0.00000000000000 6.941 3 Li 0.37025186150020 0.37025186150020 0.00000000000000 6.941 4 Li 0.87025186150020 0.12974813849980 0.50000000000000 6.941 5 Li 0.37025186150020 0.62974813849980 0.00000000000000 6.941 6 Li 0.87025186150020 0.87025186150020 0.50000000000000 6.941 7 Li 0.12974813849980 0.12974813849980 0.50000000000000 6.941 8 Li 0.62974813849980 0.37025186150020 0.00000000000000 6.941 *9 Li 0.35952455515208 0.89176530194477 0.56784376449267 6.941 10 Li 0.64047544484791 0.10823469805523 0.56784376449267 6.941 11 Li 0.39176530194477 0.14047544484791 0.06784376449267 6.941 12 Li 0.60823469805523 0.85952455515209 0.06784376449267 6.941 13 Li 0.89176530194477 0.35952455515208 0.43215623550733 6.941 14 Li 0.14047544484791 0.39176530194477 0.93215623550733 6.941 15 Li 0.85952455515209 0.60823469805523 0.93215623550733 6.941 16 Li 0.10823469805523 0.64047544484791 0.43215623550733 6.941 17 Li 0.14047544484791 0.60823469805523 0.93215623550733 6.941 18 Li 0.85952455515209 0.39176530194477 0.93215623550733 6.941 19 Li 0.10823469805523 0.35952455515208 0.43215623550733 6.941 *20 Li 0.23782898626792 0.76217101373208 0.00000000000000 6.941 21 Li 0.60823469805523 0.14047544484791 0.06784376449267 6.941 22 Li 0.35952455515208 0.10823469805523 0.56784376449267 6.941 23 Li 0.64047544484791 0.89176530194477 0.56784376449267 6.941 24 Li 0.39176530194477 0.85952455515209 0.06784376449267 6.941 *25 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 26 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 *27 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 28 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 *29 Li 0.00000000000000 0.50000000000000 0.89973245071798 6.941 30 Li 0.00000000000000 0.50000000000000 0.39973245071798 6.941 31 Li 0.50000000000000 0.00000000000000 0.60026754928202 6.941 32 Li 0.50000000000000 0.00000000000000 0.10026754928202 6.941 33 Li 0.73782898626792 0.26217101373208 0.50000000000000 6.941 34 Li 0.23782898626792 0.23782898626792 0.00000000000000 6.941 35 Li 0.76217101373208 0.76217101373208 0.00000000000000 6.941 36 Li 0.26217101373208 0.73782898626792 0.50000000000000 6.941 37 Li 0.76217101373208 0.23782898626792 0.00000000000000 6.941 38 Li 0.26217101373208 0.26217101373208 0.50000000000000 6.941 39 Li 0.73782898626792 0.73782898626792 0.50000000000000 6.941 40 Li 0.89176530194477 0.64047544484791 0.43215623550733 6.941 *41 O 0.86425909542765 0.26011160863569 0.71847288664690 15.999 42 O 0.13574090457235 0.73988839136431 0.71847288664690 15.999 43 O 0.76011160863569 0.63574090457235 0.21847288664690 15.999 44 O 0.23988839136431 0.36425909542765 0.21847288664690 15.999 45 O 0.26011160863569 0.86425909542765 0.28152711335310 15.999 46 O 0.63574090457235 0.76011160863569 0.78152711335310 15.999 47 O 0.36425909542765 0.23988839136431 0.78152711335310 15.999 48 O 0.73988839136431 0.13574090457235 0.28152711335310 15.999 49 O 0.63574090457235 0.23988839136431 0.78152711335310 15.999 50 O 0.36425909542765 0.76011160863569 0.78152711335310 15.999 51 O 0.73988839136431 0.86425909542765 0.28152711335310 15.999 52 O 0.26011160863569 0.13574090457235 0.28152711335310 15.999 53 O 0.23988839136431 0.63574090457235 0.21847288664690 15.999 54 O 0.86425909542765 0.73988839136431 0.71847288664690 15.999 55 O 0.13574090457235 0.26011160863569 0.71847288664690 15.999 56 O 0.76011160863569 0.36425909542765 0.21847288664690 15.999 *57 O 0.00000000000000 0.11446876310792 0.27357890446507 15.999 58 O 0.00000000000000 0.88553123689208 0.27357890446507 15.999 59 O 0.61446876310792 0.50000000000000 0.77357890446507 15.999 60 O 0.38553123689208 0.50000000000000 0.77357890446507 15.999 *61 O 0.38392473403036 0.00000000000000 0.84245751733041 15.999 62 O 0.50000000000000 0.61446876310792 0.22642109553493 15.999 63 O 0.50000000000000 0.38553123689208 0.22642109553493 15.999 64 O 0.88553123689208 0.00000000000000 0.72642109553493 15.999 65 O 0.00000000000000 0.61607526596964 0.15754248266959 15.999 66 O 0.00000000000000 0.38392473403036 0.15754248266959 15.999 67 O 0.11607526596964 0.50000000000000 0.65754248266959 15.999 68 O 0.88392473403036 0.50000000000000 0.65754248266959 15.999 69 O 0.61607526596964 0.00000000000000 0.84245751733041 15.999 70 O 0.50000000000000 0.11607526596964 0.34245751733041 15.999 71 O 0.50000000000000 0.88392473403036 0.34245751733041 15.999 72 O 0.11446876310792 0.00000000000000 0.72642109553493 15.999 *73 Tl 0.00000000000000 0.22687344298218 0.95969338390609 204.383 74 Tl 0.00000000000000 0.77312655701782 0.95969338390609 204.383 75 Tl 0.72687344298218 0.50000000000000 0.45969338390609 204.383 76 Tl 0.27312655701782 0.50000000000000 0.45969338390609 204.383 77 Tl 0.22687344298218 0.00000000000000 0.04030661609391 204.383 78 Tl 0.50000000000000 0.72687344298218 0.54030661609391 204.383 79 Tl 0.50000000000000 0.27312655701782 0.54030661609391 204.383 80 Tl 0.77312655701782 0.00000000000000 0.04030661609391 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.183904460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.183904460000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.713865030000000 Atomic positions (fractional): *1 Li 0.12974813849980 0.87025186150020 0.50000000000000 6.941 > 1 2 Li 0.62974813849980 0.62974813849980 0.00000000000000 6.941 > 2 3 Li 0.37025186150020 0.37025186150020 0.00000000000000 6.941 > 3 4 Li 0.87025186150020 0.12974813849980 0.50000000000000 6.941 > 4 5 Li 0.37025186150020 0.62974813849980 0.00000000000000 6.941 > 5 6 Li 0.87025186150020 0.87025186150020 0.50000000000000 6.941 > 6 7 Li 0.12974813849980 0.12974813849980 0.50000000000000 6.941 > 7 8 Li 0.62974813849980 0.37025186150020 0.00000000000000 6.941 > 8 *9 Li 0.35952455515208 0.89176530194477 0.56784376449267 6.941 > 9 10 Li 0.64047544484791 0.10823469805523 0.56784376449267 6.941 > 10 11 Li 0.39176530194477 0.14047544484791 0.06784376449267 6.941 > 11 12 Li 0.60823469805523 0.85952455515209 0.06784376449267 6.941 > 12 13 Li 0.89176530194477 0.35952455515208 0.43215623550733 6.941 > 13 14 Li 0.14047544484791 0.39176530194477 0.93215623550733 6.941 > 14 15 Li 0.85952455515209 0.60823469805523 0.93215623550733 6.941 > 15 16 Li 0.10823469805523 0.64047544484791 0.43215623550733 6.941 > 16 17 Li 0.14047544484791 0.60823469805523 0.93215623550733 6.941 > 17 18 Li 0.85952455515209 0.39176530194477 0.93215623550733 6.941 > 18 19 Li 0.10823469805523 0.35952455515208 0.43215623550733 6.941 > 19 *20 Li 0.23782898626792 0.76217101373208 0.00000000000000 6.941 > 20 21 Li 0.60823469805523 0.14047544484791 0.06784376449267 6.941 > 21 22 Li 0.35952455515208 0.10823469805523 0.56784376449267 6.941 > 22 23 Li 0.64047544484791 0.89176530194477 0.56784376449267 6.941 > 23 24 Li 0.39176530194477 0.85952455515209 0.06784376449267 6.941 > 24 *25 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 25 26 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 26 *27 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 27 28 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 28 *29 Li 0.00000000000000 0.50000000000000 0.89973245071798 6.941 > 29 30 Li 0.00000000000000 0.50000000000000 0.39973245071798 6.941 > 30 31 Li 0.50000000000000 0.00000000000000 0.60026754928202 6.941 > 31 32 Li 0.50000000000000 0.00000000000000 0.10026754928202 6.941 > 32 33 Li 0.73782898626792 0.26217101373208 0.50000000000000 6.941 > 33 34 Li 0.23782898626792 0.23782898626792 0.00000000000000 6.941 > 34 35 Li 0.76217101373208 0.76217101373208 0.00000000000000 6.941 > 35 36 Li 0.26217101373208 0.73782898626792 0.50000000000000 6.941 > 36 37 Li 0.76217101373208 0.23782898626792 0.00000000000000 6.941 > 37 38 Li 0.26217101373208 0.26217101373208 0.50000000000000 6.941 > 38 39 Li 0.73782898626792 0.73782898626792 0.50000000000000 6.941 > 39 40 Li 0.89176530194477 0.64047544484791 0.43215623550733 6.941 > 40 *41 O 0.86425909542765 0.26011160863569 0.71847288664690 15.999 > 41 42 O 0.13574090457235 0.73988839136431 0.71847288664690 15.999 > 42 43 O 0.76011160863569 0.63574090457235 0.21847288664690 15.999 > 43 44 O 0.23988839136431 0.36425909542765 0.21847288664690 15.999 > 44 45 O 0.26011160863569 0.86425909542765 0.28152711335310 15.999 > 45 46 O 0.63574090457235 0.76011160863569 0.78152711335310 15.999 > 46 47 O 0.36425909542765 0.23988839136431 0.78152711335310 15.999 > 47 48 O 0.73988839136431 0.13574090457235 0.28152711335310 15.999 > 48 49 O 0.63574090457235 0.23988839136431 0.78152711335310 15.999 > 49 50 O 0.36425909542765 0.76011160863569 0.78152711335310 15.999 > 50 51 O 0.73988839136431 0.86425909542765 0.28152711335310 15.999 > 51 52 O 0.26011160863569 0.13574090457235 0.28152711335310 15.999 > 52 53 O 0.23988839136431 0.63574090457235 0.21847288664690 15.999 > 53 54 O 0.86425909542765 0.73988839136431 0.71847288664690 15.999 > 54 55 O 0.13574090457235 0.26011160863569 0.71847288664690 15.999 > 55 56 O 0.76011160863569 0.36425909542765 0.21847288664690 15.999 > 56 *57 O 0.00000000000000 0.11446876310792 0.27357890446507 15.999 > 57 58 O 0.00000000000000 0.88553123689208 0.27357890446507 15.999 > 58 59 O 0.61446876310792 0.50000000000000 0.77357890446507 15.999 > 59 60 O 0.38553123689208 0.50000000000000 0.77357890446507 15.999 > 60 *61 O 0.38392473403036 0.00000000000000 0.84245751733041 15.999 > 61 62 O 0.50000000000000 0.61446876310792 0.22642109553493 15.999 > 62 63 O 0.50000000000000 0.38553123689208 0.22642109553493 15.999 > 63 64 O 0.88553123689208 0.00000000000000 0.72642109553493 15.999 > 64 65 O 0.00000000000000 0.61607526596964 0.15754248266959 15.999 > 65 66 O 0.00000000000000 0.38392473403036 0.15754248266959 15.999 > 66 67 O 0.11607526596964 0.50000000000000 0.65754248266959 15.999 > 67 68 O 0.88392473403036 0.50000000000000 0.65754248266959 15.999 > 68 69 O 0.61607526596964 0.00000000000000 0.84245751733041 15.999 > 69 70 O 0.50000000000000 0.11607526596964 0.34245751733041 15.999 > 70 71 O 0.50000000000000 0.88392473403036 0.34245751733041 15.999 > 71 72 O 0.11446876310792 0.00000000000000 0.72642109553493 15.999 > 72 *73 Tl 0.00000000000000 0.22687344298218 0.95969338390609 204.383 > 73 74 Tl 0.00000000000000 0.77312655701782 0.95969338390609 204.383 > 74 75 Tl 0.72687344298218 0.50000000000000 0.45969338390609 204.383 > 75 76 Tl 0.27312655701782 0.50000000000000 0.45969338390609 204.383 > 76 77 Tl 0.22687344298218 0.00000000000000 0.04030661609391 204.383 > 77 78 Tl 0.50000000000000 0.72687344298218 0.54030661609391 204.383 > 78 79 Tl 0.50000000000000 0.27312655701782 0.54030661609391 204.383 > 79 80 Tl 0.77312655701782 0.00000000000000 0.04030661609391 204.383 > 80 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.183904460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.183904460000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.713865030000000 Atomic positions (fractional): *1 Li 0.12974813849980 0.87025186150020 0.50000000000000 6.941 > 1 2 Li 0.62974813849980 0.62974813849980 0.00000000000000 6.941 > 2 3 Li 0.37025186150020 0.37025186150020 0.00000000000000 6.941 > 3 4 Li 0.87025186150020 0.12974813849980 0.50000000000000 6.941 > 4 5 Li 0.37025186150020 0.62974813849980 0.00000000000000 6.941 > 5 6 Li 0.87025186150020 0.87025186150020 0.50000000000000 6.941 > 6 7 Li 0.12974813849980 0.12974813849980 0.50000000000000 6.941 > 7 8 Li 0.62974813849980 0.37025186150020 0.00000000000000 6.941 > 8 *9 Li 0.35952455515208 0.89176530194477 0.56784376449267 6.941 > 9 10 Li 0.64047544484791 0.10823469805523 0.56784376449267 6.941 > 10 11 Li 0.39176530194477 0.14047544484791 0.06784376449267 6.941 > 11 12 Li 0.60823469805523 0.85952455515209 0.06784376449267 6.941 > 12 13 Li 0.89176530194477 0.35952455515208 0.43215623550733 6.941 > 13 14 Li 0.14047544484791 0.39176530194477 0.93215623550733 6.941 > 14 15 Li 0.85952455515209 0.60823469805523 0.93215623550733 6.941 > 15 16 Li 0.10823469805523 0.64047544484791 0.43215623550733 6.941 > 16 17 Li 0.14047544484791 0.60823469805523 0.93215623550733 6.941 > 17 18 Li 0.85952455515209 0.39176530194477 0.93215623550733 6.941 > 18 19 Li 0.10823469805523 0.35952455515208 0.43215623550733 6.941 > 19 *20 Li 0.23782898626792 0.76217101373208 0.00000000000000 6.941 > 20 21 Li 0.60823469805523 0.14047544484791 0.06784376449267 6.941 > 21 22 Li 0.35952455515208 0.10823469805523 0.56784376449267 6.941 > 22 23 Li 0.64047544484791 0.89176530194477 0.56784376449267 6.941 > 23 24 Li 0.39176530194477 0.85952455515209 0.06784376449267 6.941 > 24 *25 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 25 26 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 26 *27 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 27 28 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 28 *29 Li 0.00000000000000 0.50000000000000 0.89973245071798 6.941 > 29 30 Li 0.00000000000000 0.50000000000000 0.39973245071798 6.941 > 30 31 Li 0.50000000000000 0.00000000000000 0.60026754928202 6.941 > 31 32 Li 0.50000000000000 0.00000000000000 0.10026754928202 6.941 > 32 33 Li 0.73782898626792 0.26217101373208 0.50000000000000 6.941 > 33 34 Li 0.23782898626792 0.23782898626792 0.00000000000000 6.941 > 34 35 Li 0.76217101373208 0.76217101373208 0.00000000000000 6.941 > 35 36 Li 0.26217101373208 0.73782898626792 0.50000000000000 6.941 > 36 37 Li 0.76217101373208 0.23782898626792 0.00000000000000 6.941 > 37 38 Li 0.26217101373208 0.26217101373208 0.50000000000000 6.941 > 38 39 Li 0.73782898626792 0.73782898626792 0.50000000000000 6.941 > 39 40 Li 0.89176530194477 0.64047544484791 0.43215623550733 6.941 > 40 *41 O 0.86425909542765 0.26011160863569 0.71847288664690 15.999 > 41 42 O 0.13574090457235 0.73988839136431 0.71847288664690 15.999 > 42 43 O 0.76011160863569 0.63574090457235 0.21847288664690 15.999 > 43 44 O 0.23988839136431 0.36425909542765 0.21847288664690 15.999 > 44 45 O 0.26011160863569 0.86425909542765 0.28152711335310 15.999 > 45 46 O 0.63574090457235 0.76011160863569 0.78152711335310 15.999 > 46 47 O 0.36425909542765 0.23988839136431 0.78152711335310 15.999 > 47 48 O 0.73988839136431 0.13574090457235 0.28152711335310 15.999 > 48 49 O 0.63574090457235 0.23988839136431 0.78152711335310 15.999 > 49 50 O 0.36425909542765 0.76011160863569 0.78152711335310 15.999 > 50 51 O 0.73988839136431 0.86425909542765 0.28152711335310 15.999 > 51 52 O 0.26011160863569 0.13574090457235 0.28152711335310 15.999 > 52 53 O 0.23988839136431 0.63574090457235 0.21847288664690 15.999 > 53 54 O 0.86425909542765 0.73988839136431 0.71847288664690 15.999 > 54 55 O 0.13574090457235 0.26011160863569 0.71847288664690 15.999 > 55 56 O 0.76011160863569 0.36425909542765 0.21847288664690 15.999 > 56 *57 O 0.00000000000000 0.11446876310792 0.27357890446507 15.999 > 57 58 O 0.00000000000000 0.88553123689208 0.27357890446507 15.999 > 58 59 O 0.61446876310792 0.50000000000000 0.77357890446507 15.999 > 59 60 O 0.38553123689208 0.50000000000000 0.77357890446507 15.999 > 60 *61 O 0.38392473403036 0.00000000000000 0.84245751733041 15.999 > 61 62 O 0.50000000000000 0.61446876310792 0.22642109553493 15.999 > 62 63 O 0.50000000000000 0.38553123689208 0.22642109553493 15.999 > 63 64 O 0.88553123689208 0.00000000000000 0.72642109553493 15.999 > 64 65 O 0.00000000000000 0.61607526596964 0.15754248266959 15.999 > 65 66 O 0.00000000000000 0.38392473403036 0.15754248266959 15.999 > 66 67 O 0.11607526596964 0.50000000000000 0.65754248266959 15.999 > 67 68 O 0.88392473403036 0.50000000000000 0.65754248266959 15.999 > 68 69 O 0.61607526596964 0.00000000000000 0.84245751733041 15.999 > 69 70 O 0.50000000000000 0.11607526596964 0.34245751733041 15.999 > 70 71 O 0.50000000000000 0.88392473403036 0.34245751733041 15.999 > 71 72 O 0.11446876310792 0.00000000000000 0.72642109553493 15.999 > 72 *73 Tl 0.00000000000000 0.22687344298218 0.95969338390609 204.383 > 73 74 Tl 0.00000000000000 0.77312655701782 0.95969338390609 204.383 > 74 75 Tl 0.72687344298218 0.50000000000000 0.45969338390609 204.383 > 75 76 Tl 0.27312655701782 0.50000000000000 0.45969338390609 204.383 > 76 77 Tl 0.22687344298218 0.00000000000000 0.04030661609391 204.383 > 77 78 Tl 0.50000000000000 0.72687344298218 0.54030661609391 204.383 > 78 79 Tl 0.50000000000000 0.27312655701782 0.54030661609391 204.383 > 79 80 Tl 0.77312655701782 0.00000000000000 0.04030661609391 204.383 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1049196 0.0000000 0.0000000 0.0000000 4.1049196 0.0000000 0.0000000 0.0000000 3.9454014 -------------------------- Born effective charges -------------------------- 1 Li 0.9364183 0.1534562 -0.0089742 0.1534562 0.9364183 -0.0089742 -0.0092516 -0.0092516 1.0987620 2 Li 0.9364183 -0.1534562 0.0089742 -0.1534562 0.9364183 -0.0089742 0.0092516 -0.0092516 1.0987620 3 Li 0.9364183 -0.1534562 -0.0089742 -0.1534562 0.9364183 0.0089742 -0.0092516 0.0092516 1.0987620 4 Li 0.9364183 0.1534562 0.0089742 0.1534562 0.9364183 0.0089742 0.0092516 0.0092516 1.0987620 5 Li 0.9364183 0.1534562 -0.0089742 0.1534562 0.9364183 -0.0089742 -0.0092516 -0.0092516 1.0987620 6 Li 0.9364183 -0.1534562 0.0089742 -0.1534562 0.9364183 -0.0089742 0.0092516 -0.0092516 1.0987620 7 Li 0.9364183 -0.1534562 -0.0089742 -0.1534562 0.9364183 0.0089742 -0.0092516 0.0092516 1.0987620 8 Li 0.9364183 0.1534562 0.0089742 0.1534562 0.9364183 0.0089742 0.0092516 0.0092516 1.0987620 9 Li 0.9304774 -0.1293198 0.0241995 -0.1506135 0.9022079 -0.0357172 0.1355570 0.1943189 0.9819658 10 Li 0.9304774 -0.1293198 -0.0241995 -0.1506135 0.9022079 0.0357172 -0.1355570 -0.1943189 0.9819658 11 Li 0.9022079 0.1506135 -0.0357172 0.1293198 0.9304774 -0.0241995 0.1943189 -0.1355570 0.9819658 12 Li 0.9022079 0.1506135 0.0357172 0.1293198 0.9304774 0.0241995 -0.1943189 0.1355570 0.9819658 13 Li 0.9022079 -0.1506135 0.0357172 -0.1293198 0.9304774 -0.0241995 -0.1943189 -0.1355570 0.9819658 14 Li 0.9304774 0.1293198 0.0241995 0.1506135 0.9022079 0.0357172 0.1355570 -0.1943189 0.9819658 15 Li 0.9304774 0.1293198 -0.0241995 0.1506135 0.9022079 -0.0357172 -0.1355570 0.1943189 0.9819658 16 Li 0.9022079 -0.1506135 -0.0357172 -0.1293198 0.9304774 0.0241995 0.1943189 0.1355570 0.9819658 17 Li 0.9304774 -0.1293198 0.0241995 -0.1506135 0.9022079 -0.0357172 0.1355570 0.1943189 0.9819658 18 Li 0.9304774 -0.1293198 -0.0241995 -0.1506135 0.9022079 0.0357172 -0.1355570 -0.1943189 0.9819658 19 Li 0.9022079 0.1506135 -0.0357172 0.1293198 0.9304774 -0.0241995 0.1943189 -0.1355570 0.9819658 20 Li 1.1492280 0.0244485 -0.0282011 0.0244485 1.1492280 -0.0282011 -0.2135563 -0.2135563 0.9361905 21 Li 0.9022079 -0.1506135 0.0357172 -0.1293198 0.9304774 -0.0241995 -0.1943189 -0.1355570 0.9819658 22 Li 0.9304774 0.1293198 0.0241995 0.1506135 0.9022079 0.0357172 0.1355570 -0.1943189 0.9819658 23 Li 0.9304774 0.1293198 -0.0241995 0.1506135 0.9022079 -0.0357172 -0.1355570 0.1943189 0.9819658 24 Li 0.9022079 -0.1506135 -0.0357172 -0.1293198 0.9304774 0.0241995 0.1943189 0.1355570 0.9819658 25 Li 1.0539874 -0.0000000 0.0000000 0.0000000 1.0539874 0.0000000 0.0000000 -0.0000000 0.6588348 26 Li 1.0539874 -0.0000000 0.0000000 0.0000000 1.0539874 0.0000000 0.0000000 -0.0000000 0.6588348 27 Li 1.1534057 -0.0000000 0.0000000 0.0000000 1.1534057 0.0000000 0.0000000 -0.0000000 1.2833300 28 Li 1.1534057 -0.0000000 0.0000000 0.0000000 1.1534057 0.0000000 0.0000000 -0.0000000 1.2833300 29 Li 1.0671384 -0.0000000 0.0000000 0.0000000 1.0088730 0.0000000 0.0000000 -0.0000000 0.9240605 30 Li 1.0088730 -0.0000000 0.0000000 0.0000000 1.0671384 0.0000000 0.0000000 -0.0000000 0.9240605 31 Li 1.0671384 -0.0000000 0.0000000 0.0000000 1.0088730 0.0000000 0.0000000 -0.0000000 0.9240605 32 Li 1.0088730 -0.0000000 0.0000000 0.0000000 1.0671384 0.0000000 0.0000000 -0.0000000 0.9240605 33 Li 1.1492280 0.0244485 0.0282011 0.0244485 1.1492280 0.0282011 0.2135563 0.2135563 0.9361905 34 Li 1.1492280 -0.0244485 -0.0282011 -0.0244485 1.1492280 0.0282011 -0.2135563 0.2135563 0.9361905 35 Li 1.1492280 -0.0244485 0.0282011 -0.0244485 1.1492280 -0.0282011 0.2135563 -0.2135563 0.9361905 36 Li 1.1492280 0.0244485 -0.0282011 0.0244485 1.1492280 -0.0282011 -0.2135563 -0.2135563 0.9361905 37 Li 1.1492280 0.0244485 0.0282011 0.0244485 1.1492280 0.0282011 0.2135563 0.2135563 0.9361905 38 Li 1.1492280 -0.0244485 -0.0282011 -0.0244485 1.1492280 0.0282011 -0.2135563 0.2135563 0.9361905 39 Li 1.1492280 -0.0244485 0.0282011 -0.0244485 1.1492280 -0.0282011 0.2135563 -0.2135563 0.9361905 40 Li 0.9022079 0.1506135 0.0357172 0.1293198 0.9304774 0.0241995 -0.1943189 0.1355570 0.9819658 41 O -2.3130816 0.1639901 -0.4004727 0.0677650 -1.6881067 -0.0299838 -0.4123571 0.0726109 -1.8719746 42 O -2.3130816 0.1639901 0.4004727 0.0677650 -1.6881067 0.0299838 0.4123571 -0.0726109 -1.8719746 43 O -1.6881067 -0.0677650 -0.0299838 -0.1639901 -2.3130816 0.4004727 0.0726109 0.4123571 -1.8719746 44 O -1.6881067 -0.0677650 0.0299838 -0.1639901 -2.3130816 -0.4004727 -0.0726109 -0.4123571 -1.8719746 45 O -1.6881067 0.0677650 0.0299838 0.1639901 -2.3130816 0.4004727 -0.0726109 0.4123571 -1.8719746 46 O -2.3130816 -0.1639901 -0.4004727 -0.0677650 -1.6881067 0.0299838 -0.4123571 -0.0726109 -1.8719746 47 O -2.3130816 -0.1639901 0.4004727 -0.0677650 -1.6881067 -0.0299838 0.4123571 0.0726109 -1.8719746 48 O -1.6881067 0.0677650 -0.0299838 0.1639901 -2.3130816 -0.4004727 0.0726109 -0.4123571 -1.8719746 49 O -2.3130816 0.1639901 -0.4004727 0.0677650 -1.6881067 -0.0299838 -0.4123571 0.0726109 -1.8719746 50 O -2.3130816 0.1639901 0.4004727 0.0677650 -1.6881067 0.0299838 0.4123571 -0.0726109 -1.8719746 51 O -1.6881067 -0.0677650 -0.0299838 -0.1639901 -2.3130816 0.4004727 0.0726109 0.4123571 -1.8719746 52 O -1.6881067 -0.0677650 0.0299838 -0.1639901 -2.3130816 -0.4004727 -0.0726109 -0.4123571 -1.8719746 53 O -1.6881067 0.0677650 0.0299838 0.1639901 -2.3130816 0.4004727 -0.0726109 0.4123571 -1.8719746 54 O -2.3130816 -0.1639901 -0.4004727 -0.0677650 -1.6881067 0.0299838 -0.4123571 -0.0726109 -1.8719746 55 O -2.3130816 -0.1639901 0.4004727 -0.0677650 -1.6881067 -0.0299838 0.4123571 0.0726109 -1.8719746 56 O -1.6881067 0.0677650 -0.0299838 0.1639901 -2.3130816 -0.4004727 0.0726109 -0.4123571 -1.8719746 57 O -1.6814347 -0.0000000 0.0000000 0.0000000 -2.1818209 0.5364529 0.0000000 0.5297947 -2.0869221 58 O -1.6814347 -0.0000000 0.0000000 0.0000000 -2.1818209 -0.5364529 0.0000000 -0.5297947 -2.0869221 59 O -2.1818209 -0.0000000 0.5364529 0.0000000 -1.6814347 0.0000000 0.5297947 -0.0000000 -2.0869221 60 O -2.1818209 -0.0000000 -0.5364529 0.0000000 -1.6814347 0.0000000 -0.5297947 -0.0000000 -2.0869221 61 O -2.3496433 -0.0000000 0.3340259 0.0000000 -1.7073844 0.0000000 0.2167023 -0.0000000 -1.8119465 62 O -1.6814347 -0.0000000 0.0000000 0.0000000 -2.1818209 -0.5364529 0.0000000 -0.5297947 -2.0869221 63 O -1.6814347 -0.0000000 0.0000000 0.0000000 -2.1818209 0.5364529 0.0000000 0.5297947 -2.0869221 64 O -2.1818209 -0.0000000 0.5364529 0.0000000 -1.6814347 0.0000000 0.5297947 -0.0000000 -2.0869221 65 O -1.7073844 -0.0000000 0.0000000 0.0000000 -2.3496433 0.3340259 0.0000000 0.2167023 -1.8119465 66 O -1.7073844 -0.0000000 0.0000000 0.0000000 -2.3496433 -0.3340259 0.0000000 -0.2167023 -1.8119465 67 O -2.3496433 -0.0000000 0.3340259 0.0000000 -1.7073844 0.0000000 0.2167023 -0.0000000 -1.8119465 68 O -2.3496433 -0.0000000 -0.3340259 0.0000000 -1.7073844 0.0000000 -0.2167023 -0.0000000 -1.8119465 69 O -2.3496433 -0.0000000 -0.3340259 0.0000000 -1.7073844 0.0000000 -0.2167023 -0.0000000 -1.8119465 70 O -1.7073844 -0.0000000 0.0000000 0.0000000 -2.3496433 -0.3340259 0.0000000 -0.2167023 -1.8119465 71 O -1.7073844 -0.0000000 0.0000000 0.0000000 -2.3496433 0.3340259 0.0000000 0.2167023 -1.8119465 72 O -2.1818209 -0.0000000 -0.5364529 0.0000000 -1.6814347 0.0000000 -0.5297947 -0.0000000 -2.0869221 73 Tl 2.9543607 -0.0000000 0.0000000 0.0000000 2.9899336 -0.2510544 0.0000000 -0.3199654 2.6963624 74 Tl 2.9543607 -0.0000000 0.0000000 0.0000000 2.9899336 0.2510544 0.0000000 0.3199654 2.6963624 75 Tl 2.9899336 -0.0000000 -0.2510544 0.0000000 2.9543607 0.0000000 -0.3199654 -0.0000000 2.6963624 76 Tl 2.9899336 -0.0000000 0.2510544 0.0000000 2.9543607 0.0000000 0.3199654 -0.0000000 2.6963624 77 Tl 2.9899336 -0.0000000 0.2510544 0.0000000 2.9543607 0.0000000 0.3199654 -0.0000000 2.6963624 78 Tl 2.9543607 -0.0000000 0.0000000 0.0000000 2.9899336 0.2510544 0.0000000 0.3199654 2.6963624 79 Tl 2.9543607 -0.0000000 0.0000000 0.0000000 2.9899336 -0.2510544 0.0000000 -0.3199654 2.6963624 80 Tl 2.9899336 -0.0000000 -0.2510544 0.0000000 2.9543607 0.0000000 -0.3199654 -0.0000000 2.6963624 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1926 Number of blocks in projector: 1930 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 792 / 792 (1) 276 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 494 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 372 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 268 Use standard eigh solver. Tree of FC basis block matrices: - (1926, 1876), data: False |-- (268, 258), data: True |-- (372, 366), data: True |-- (494, 478), data: True |-- (792, 774), data: False |-- (792, 16), data: (792, 34) @ (34, 16) |-- (292, 276), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 640 - Time: 0.311 Solver_block: 200 / 640 - Time: 0.275 Solver_block: 300 / 640 - Time: 0.273 Solver_block: 400 / 640 - Time: 0.274 Solver_block: 500 / 640 - Time: 0.274 Solver_block: 600 / 640 - Time: 0.274 Solver_block: 640 / 640 - Time: 0.141 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.865 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1926 Number of blocks in projector: 1930 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 792 Use submatrix version of eigh solver. (1) Block: 500 / 792 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 792 / 792 (1) 276 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 494 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 372 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 268 Use standard eigh solver. Tree of FC basis block matrices: - (1926, 1876), data: False |-- (268, 258), data: True |-- (372, 366), data: True |-- (494, 478), data: True |-- (792, 774), data: False |-- (792, 16), data: (792, 34) @ (34, 16) |-- (292, 276), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 06:23:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:23:22]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.183904460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.183904460000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.713865030000000 Atomic positions (fractional): 1 Li 0.12974813849980 0.87025186150020 0.50000000000000 6.941 2 Li 0.62974813849980 0.62974813849980 0.00000000000000 6.941 3 Li 0.37025186150020 0.37025186150020 0.00000000000000 6.941 4 Li 0.87025186150020 0.12974813849980 0.50000000000000 6.941 5 Li 0.37025186150020 0.62974813849980 0.00000000000000 6.941 6 Li 0.87025186150020 0.87025186150020 0.50000000000000 6.941 7 Li 0.12974813849980 0.12974813849980 0.50000000000000 6.941 8 Li 0.62974813849980 0.37025186150020 0.00000000000000 6.941 9 Li 0.35952455515208 0.89176530194477 0.56784376449267 6.941 10 Li 0.64047544484791 0.10823469805523 0.56784376449267 6.941 11 Li 0.39176530194477 0.14047544484791 0.06784376449267 6.941 12 Li 0.60823469805523 0.85952455515209 0.06784376449267 6.941 13 Li 0.89176530194477 0.35952455515208 0.43215623550733 6.941 14 Li 0.14047544484791 0.39176530194477 0.93215623550733 6.941 15 Li 0.85952455515209 0.60823469805523 0.93215623550733 6.941 16 Li 0.10823469805523 0.64047544484791 0.43215623550733 6.941 17 Li 0.14047544484791 0.60823469805523 0.93215623550733 6.941 18 Li 0.85952455515209 0.39176530194477 0.93215623550733 6.941 19 Li 0.10823469805523 0.35952455515208 0.43215623550733 6.941 20 Li 0.23782898626792 0.76217101373208 0.00000000000000 6.941 21 Li 0.60823469805523 0.14047544484791 0.06784376449267 6.941 22 Li 0.35952455515208 0.10823469805523 0.56784376449267 6.941 23 Li 0.64047544484791 0.89176530194477 0.56784376449267 6.941 24 Li 0.39176530194477 0.85952455515209 0.06784376449267 6.941 25 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 26 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 27 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 28 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 29 Li 0.00000000000000 0.50000000000000 0.89973245071798 6.941 30 Li 0.00000000000000 0.50000000000000 0.39973245071798 6.941 31 Li 0.50000000000000 0.00000000000000 0.60026754928202 6.941 32 Li 0.50000000000000 0.00000000000000 0.10026754928202 6.941 33 Li 0.73782898626792 0.26217101373208 0.50000000000000 6.941 34 Li 0.23782898626792 0.23782898626792 0.00000000000000 6.941 35 Li 0.76217101373208 0.76217101373208 0.00000000000000 6.941 36 Li 0.26217101373208 0.73782898626792 0.50000000000000 6.941 37 Li 0.76217101373208 0.23782898626792 0.00000000000000 6.941 38 Li 0.26217101373208 0.26217101373208 0.50000000000000 6.941 39 Li 0.73782898626792 0.73782898626792 0.50000000000000 6.941 40 Li 0.89176530194477 0.64047544484791 0.43215623550733 6.941 41 O 0.86425909542765 0.26011160863569 0.71847288664690 15.999 42 O 0.13574090457235 0.73988839136431 0.71847288664690 15.999 43 O 0.76011160863569 0.63574090457235 0.21847288664690 15.999 44 O 0.23988839136431 0.36425909542765 0.21847288664690 15.999 45 O 0.26011160863569 0.86425909542765 0.28152711335310 15.999 46 O 0.63574090457235 0.76011160863569 0.78152711335310 15.999 47 O 0.36425909542765 0.23988839136431 0.78152711335310 15.999 48 O 0.73988839136431 0.13574090457235 0.28152711335310 15.999 49 O 0.63574090457235 0.23988839136431 0.78152711335310 15.999 50 O 0.36425909542765 0.76011160863569 0.78152711335310 15.999 51 O 0.73988839136431 0.86425909542765 0.28152711335310 15.999 52 O 0.26011160863569 0.13574090457235 0.28152711335310 15.999 53 O 0.23988839136431 0.63574090457235 0.21847288664690 15.999 54 O 0.86425909542765 0.73988839136431 0.71847288664690 15.999 55 O 0.13574090457235 0.26011160863569 0.71847288664690 15.999 56 O 0.76011160863569 0.36425909542765 0.21847288664690 15.999 57 O 0.00000000000000 0.11446876310792 0.27357890446507 15.999 58 O 0.00000000000000 0.88553123689208 0.27357890446507 15.999 59 O 0.61446876310792 0.50000000000000 0.77357890446507 15.999 60 O 0.38553123689208 0.50000000000000 0.77357890446507 15.999 61 O 0.38392473403036 0.00000000000000 0.84245751733041 15.999 62 O 0.50000000000000 0.61446876310792 0.22642109553493 15.999 63 O 0.50000000000000 0.38553123689208 0.22642109553493 15.999 64 O 0.88553123689208 0.00000000000000 0.72642109553493 15.999 65 O 0.00000000000000 0.61607526596964 0.15754248266959 15.999 66 O 0.00000000000000 0.38392473403036 0.15754248266959 15.999 67 O 0.11607526596964 0.50000000000000 0.65754248266959 15.999 68 O 0.88392473403036 0.50000000000000 0.65754248266959 15.999 69 O 0.61607526596964 0.00000000000000 0.84245751733041 15.999 70 O 0.50000000000000 0.11607526596964 0.34245751733041 15.999 71 O 0.50000000000000 0.88392473403036 0.34245751733041 15.999 72 O 0.11446876310792 0.00000000000000 0.72642109553493 15.999 73 Tl 0.00000000000000 0.22687344298218 0.95969338390609 204.383 74 Tl 0.00000000000000 0.77312655701782 0.95969338390609 204.383 75 Tl 0.72687344298218 0.50000000000000 0.45969338390609 204.383 76 Tl 0.27312655701782 0.50000000000000 0.45969338390609 204.383 77 Tl 0.22687344298218 0.00000000000000 0.04030661609391 204.383 78 Tl 0.50000000000000 0.72687344298218 0.54030661609391 204.383 79 Tl 0.50000000000000 0.27312655701782 0.54030661609391 204.383 80 Tl 0.77312655701782 0.00000000000000 0.04030661609391 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.183904460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.183904460000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.713865030000000 Atomic positions (fractional): 1 Li 0.12974813849980 0.87025186150020 0.50000000000000 6.941 > 1 2 Li 0.62974813849980 0.62974813849980 0.00000000000000 6.941 > 2 3 Li 0.37025186150020 0.37025186150020 0.00000000000000 6.941 > 3 4 Li 0.87025186150020 0.12974813849980 0.50000000000000 6.941 > 4 5 Li 0.37025186150020 0.62974813849980 0.00000000000000 6.941 > 5 6 Li 0.87025186150020 0.87025186150020 0.50000000000000 6.941 > 6 7 Li 0.12974813849980 0.12974813849980 0.50000000000000 6.941 > 7 8 Li 0.62974813849980 0.37025186150020 0.00000000000000 6.941 > 8 9 Li 0.35952455515208 0.89176530194477 0.56784376449267 6.941 > 9 10 Li 0.64047544484791 0.10823469805523 0.56784376449267 6.941 > 10 11 Li 0.39176530194477 0.14047544484791 0.06784376449267 6.941 > 11 12 Li 0.60823469805523 0.85952455515209 0.06784376449267 6.941 > 12 13 Li 0.89176530194477 0.35952455515208 0.43215623550733 6.941 > 13 14 Li 0.14047544484791 0.39176530194477 0.93215623550733 6.941 > 14 15 Li 0.85952455515209 0.60823469805523 0.93215623550733 6.941 > 15 16 Li 0.10823469805523 0.64047544484791 0.43215623550733 6.941 > 16 17 Li 0.14047544484791 0.60823469805523 0.93215623550733 6.941 > 17 18 Li 0.85952455515209 0.39176530194477 0.93215623550733 6.941 > 18 19 Li 0.10823469805523 0.35952455515208 0.43215623550733 6.941 > 19 20 Li 0.23782898626792 0.76217101373208 0.00000000000000 6.941 > 20 21 Li 0.60823469805523 0.14047544484791 0.06784376449267 6.941 > 21 22 Li 0.35952455515208 0.10823469805523 0.56784376449267 6.941 > 22 23 Li 0.64047544484791 0.89176530194477 0.56784376449267 6.941 > 23 24 Li 0.39176530194477 0.85952455515209 0.06784376449267 6.941 > 24 25 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 25 26 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 26 27 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 27 28 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 28 29 Li 0.00000000000000 0.50000000000000 0.89973245071798 6.941 > 29 30 Li 0.00000000000000 0.50000000000000 0.39973245071798 6.941 > 30 31 Li 0.50000000000000 0.00000000000000 0.60026754928202 6.941 > 31 32 Li 0.50000000000000 0.00000000000000 0.10026754928202 6.941 > 32 33 Li 0.73782898626792 0.26217101373208 0.50000000000000 6.941 > 33 34 Li 0.23782898626792 0.23782898626792 0.00000000000000 6.941 > 34 35 Li 0.76217101373208 0.76217101373208 0.00000000000000 6.941 > 35 36 Li 0.26217101373208 0.73782898626792 0.50000000000000 6.941 > 36 37 Li 0.76217101373208 0.23782898626792 0.00000000000000 6.941 > 37 38 Li 0.26217101373208 0.26217101373208 0.50000000000000 6.941 > 38 39 Li 0.73782898626792 0.73782898626792 0.50000000000000 6.941 > 39 40 Li 0.89176530194477 0.64047544484791 0.43215623550733 6.941 > 40 41 O 0.86425909542765 0.26011160863569 0.71847288664690 15.999 > 41 42 O 0.13574090457235 0.73988839136431 0.71847288664690 15.999 > 42 43 O 0.76011160863569 0.63574090457235 0.21847288664690 15.999 > 43 44 O 0.23988839136431 0.36425909542765 0.21847288664690 15.999 > 44 45 O 0.26011160863569 0.86425909542765 0.28152711335310 15.999 > 45 46 O 0.63574090457235 0.76011160863569 0.78152711335310 15.999 > 46 47 O 0.36425909542765 0.23988839136431 0.78152711335310 15.999 > 47 48 O 0.73988839136431 0.13574090457235 0.28152711335310 15.999 > 48 49 O 0.63574090457235 0.23988839136431 0.78152711335310 15.999 > 49 50 O 0.36425909542765 0.76011160863569 0.78152711335310 15.999 > 50 51 O 0.73988839136431 0.86425909542765 0.28152711335310 15.999 > 51 52 O 0.26011160863569 0.13574090457235 0.28152711335310 15.999 > 52 53 O 0.23988839136431 0.63574090457235 0.21847288664690 15.999 > 53 54 O 0.86425909542765 0.73988839136431 0.71847288664690 15.999 > 54 55 O 0.13574090457235 0.26011160863569 0.71847288664690 15.999 > 55 56 O 0.76011160863569 0.36425909542765 0.21847288664690 15.999 > 56 57 O 0.00000000000000 0.11446876310792 0.27357890446507 15.999 > 57 58 O 0.00000000000000 0.88553123689208 0.27357890446507 15.999 > 58 59 O 0.61446876310792 0.50000000000000 0.77357890446507 15.999 > 59 60 O 0.38553123689208 0.50000000000000 0.77357890446507 15.999 > 60 61 O 0.38392473403036 0.00000000000000 0.84245751733041 15.999 > 61 62 O 0.50000000000000 0.61446876310792 0.22642109553493 15.999 > 62 63 O 0.50000000000000 0.38553123689208 0.22642109553493 15.999 > 63 64 O 0.88553123689208 0.00000000000000 0.72642109553493 15.999 > 64 65 O 0.00000000000000 0.61607526596964 0.15754248266959 15.999 > 65 66 O 0.00000000000000 0.38392473403036 0.15754248266959 15.999 > 66 67 O 0.11607526596964 0.50000000000000 0.65754248266959 15.999 > 67 68 O 0.88392473403036 0.50000000000000 0.65754248266959 15.999 > 68 69 O 0.61607526596964 0.00000000000000 0.84245751733041 15.999 > 69 70 O 0.50000000000000 0.11607526596964 0.34245751733041 15.999 > 70 71 O 0.50000000000000 0.88392473403036 0.34245751733041 15.999 > 71 72 O 0.11446876310792 0.00000000000000 0.72642109553493 15.999 > 72 73 Tl 0.00000000000000 0.22687344298218 0.95969338390609 204.383 > 73 74 Tl 0.00000000000000 0.77312655701782 0.95969338390609 204.383 > 74 75 Tl 0.72687344298218 0.50000000000000 0.45969338390609 204.383 > 75 76 Tl 0.27312655701782 0.50000000000000 0.45969338390609 204.383 > 76 77 Tl 0.22687344298218 0.00000000000000 0.04030661609391 204.383 > 77 78 Tl 0.50000000000000 0.72687344298218 0.54030661609391 204.383 > 78 79 Tl 0.50000000000000 0.27312655701782 0.54030661609391 204.383 > 79 80 Tl 0.77312655701782 0.00000000000000 0.04030661609391 204.383 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1049196 0.0000000 0.0000000 0.0000000 4.1049196 0.0000000 0.0000000 0.0000000 3.9454014 -------------------------- Born effective charges -------------------------- 1 Li 0.9364183 0.1534562 -0.0089742 0.1534562 0.9364183 -0.0089742 -0.0092516 -0.0092516 1.0987620 2 Li 0.9364183 -0.1534562 0.0089742 -0.1534562 0.9364183 -0.0089742 0.0092516 -0.0092516 1.0987620 3 Li 0.9364183 -0.1534562 -0.0089742 -0.1534562 0.9364183 0.0089742 -0.0092516 0.0092516 1.0987620 4 Li 0.9364183 0.1534562 0.0089742 0.1534562 0.9364183 0.0089742 0.0092516 0.0092516 1.0987620 5 Li 0.9364183 0.1534562 -0.0089742 0.1534562 0.9364183 -0.0089742 -0.0092516 -0.0092516 1.0987620 6 Li 0.9364183 -0.1534562 0.0089742 -0.1534562 0.9364183 -0.0089742 0.0092516 -0.0092516 1.0987620 7 Li 0.9364183 -0.1534562 -0.0089742 -0.1534562 0.9364183 0.0089742 -0.0092516 0.0092516 1.0987620 8 Li 0.9364183 0.1534562 0.0089742 0.1534562 0.9364183 0.0089742 0.0092516 0.0092516 1.0987620 9 Li 0.9304774 -0.1293198 0.0241995 -0.1506135 0.9022079 -0.0357172 0.1355570 0.1943189 0.9819658 10 Li 0.9304774 -0.1293198 -0.0241995 -0.1506135 0.9022079 0.0357172 -0.1355570 -0.1943189 0.9819658 11 Li 0.9022079 0.1506135 -0.0357172 0.1293198 0.9304774 -0.0241995 0.1943189 -0.1355570 0.9819658 12 Li 0.9022079 0.1506135 0.0357172 0.1293198 0.9304774 0.0241995 -0.1943189 0.1355570 0.9819658 13 Li 0.9022079 -0.1506135 0.0357172 -0.1293198 0.9304774 -0.0241995 -0.1943189 -0.1355570 0.9819658 14 Li 0.9304774 0.1293198 0.0241995 0.1506135 0.9022079 0.0357172 0.1355570 -0.1943189 0.9819658 15 Li 0.9304774 0.1293198 -0.0241995 0.1506135 0.9022079 -0.0357172 -0.1355570 0.1943189 0.9819658 16 Li 0.9022079 -0.1506135 -0.0357172 -0.1293198 0.9304774 0.0241995 0.1943189 0.1355570 0.9819658 17 Li 0.9304774 -0.1293198 0.0241995 -0.1506135 0.9022079 -0.0357172 0.1355570 0.1943189 0.9819658 18 Li 0.9304774 -0.1293198 -0.0241995 -0.1506135 0.9022079 0.0357172 -0.1355570 -0.1943189 0.9819658 19 Li 0.9022079 0.1506135 -0.0357172 0.1293198 0.9304774 -0.0241995 0.1943189 -0.1355570 0.9819658 20 Li 1.1492280 0.0244485 -0.0282011 0.0244485 1.1492280 -0.0282011 -0.2135563 -0.2135563 0.9361905 21 Li 0.9022079 -0.1506135 0.0357172 -0.1293198 0.9304774 -0.0241995 -0.1943189 -0.1355570 0.9819658 22 Li 0.9304774 0.1293198 0.0241995 0.1506135 0.9022079 0.0357172 0.1355570 -0.1943189 0.9819658 23 Li 0.9304774 0.1293198 -0.0241995 0.1506135 0.9022079 -0.0357172 -0.1355570 0.1943189 0.9819658 24 Li 0.9022079 -0.1506135 -0.0357172 -0.1293198 0.9304774 0.0241995 0.1943189 0.1355570 0.9819658 25 Li 1.0539874 -0.0000000 0.0000000 0.0000000 1.0539874 0.0000000 0.0000000 -0.0000000 0.6588348 26 Li 1.0539874 -0.0000000 0.0000000 0.0000000 1.0539874 0.0000000 0.0000000 -0.0000000 0.6588348 27 Li 1.1534057 -0.0000000 0.0000000 0.0000000 1.1534057 0.0000000 0.0000000 -0.0000000 1.2833300 28 Li 1.1534057 -0.0000000 0.0000000 0.0000000 1.1534057 0.0000000 0.0000000 -0.0000000 1.2833300 29 Li 1.0671384 -0.0000000 0.0000000 0.0000000 1.0088730 0.0000000 0.0000000 -0.0000000 0.9240605 30 Li 1.0088730 -0.0000000 0.0000000 0.0000000 1.0671384 0.0000000 0.0000000 -0.0000000 0.9240605 31 Li 1.0671384 -0.0000000 0.0000000 0.0000000 1.0088730 0.0000000 0.0000000 -0.0000000 0.9240605 32 Li 1.0088730 -0.0000000 0.0000000 0.0000000 1.0671384 0.0000000 0.0000000 -0.0000000 0.9240605 33 Li 1.1492280 0.0244485 0.0282011 0.0244485 1.1492280 0.0282011 0.2135563 0.2135563 0.9361905 34 Li 1.1492280 -0.0244485 -0.0282011 -0.0244485 1.1492280 0.0282011 -0.2135563 0.2135563 0.9361905 35 Li 1.1492280 -0.0244485 0.0282011 -0.0244485 1.1492280 -0.0282011 0.2135563 -0.2135563 0.9361905 36 Li 1.1492280 0.0244485 -0.0282011 0.0244485 1.1492280 -0.0282011 -0.2135563 -0.2135563 0.9361905 37 Li 1.1492280 0.0244485 0.0282011 0.0244485 1.1492280 0.0282011 0.2135563 0.2135563 0.9361905 38 Li 1.1492280 -0.0244485 -0.0282011 -0.0244485 1.1492280 0.0282011 -0.2135563 0.2135563 0.9361905 39 Li 1.1492280 -0.0244485 0.0282011 -0.0244485 1.1492280 -0.0282011 0.2135563 -0.2135563 0.9361905 40 Li 0.9022079 0.1506135 0.0357172 0.1293198 0.9304774 0.0241995 -0.1943189 0.1355570 0.9819658 41 O -2.3130816 0.1639901 -0.4004727 0.0677650 -1.6881067 -0.0299838 -0.4123571 0.0726109 -1.8719746 42 O -2.3130816 0.1639901 0.4004727 0.0677650 -1.6881067 0.0299838 0.4123571 -0.0726109 -1.8719746 43 O -1.6881067 -0.0677650 -0.0299838 -0.1639901 -2.3130816 0.4004727 0.0726109 0.4123571 -1.8719746 44 O -1.6881067 -0.0677650 0.0299838 -0.1639901 -2.3130816 -0.4004727 -0.0726109 -0.4123571 -1.8719746 45 O -1.6881067 0.0677650 0.0299838 0.1639901 -2.3130816 0.4004727 -0.0726109 0.4123571 -1.8719746 46 O -2.3130816 -0.1639901 -0.4004727 -0.0677650 -1.6881067 0.0299838 -0.4123571 -0.0726109 -1.8719746 47 O -2.3130816 -0.1639901 0.4004727 -0.0677650 -1.6881067 -0.0299838 0.4123571 0.0726109 -1.8719746 48 O -1.6881067 0.0677650 -0.0299838 0.1639901 -2.3130816 -0.4004727 0.0726109 -0.4123571 -1.8719746 49 O -2.3130816 0.1639901 -0.4004727 0.0677650 -1.6881067 -0.0299838 -0.4123571 0.0726109 -1.8719746 50 O -2.3130816 0.1639901 0.4004727 0.0677650 -1.6881067 0.0299838 0.4123571 -0.0726109 -1.8719746 51 O -1.6881067 -0.0677650 -0.0299838 -0.1639901 -2.3130816 0.4004727 0.0726109 0.4123571 -1.8719746 52 O -1.6881067 -0.0677650 0.0299838 -0.1639901 -2.3130816 -0.4004727 -0.0726109 -0.4123571 -1.8719746 53 O -1.6881067 0.0677650 0.0299838 0.1639901 -2.3130816 0.4004727 -0.0726109 0.4123571 -1.8719746 54 O -2.3130816 -0.1639901 -0.4004727 -0.0677650 -1.6881067 0.0299838 -0.4123571 -0.0726109 -1.8719746 55 O -2.3130816 -0.1639901 0.4004727 -0.0677650 -1.6881067 -0.0299838 0.4123571 0.0726109 -1.8719746 56 O -1.6881067 0.0677650 -0.0299838 0.1639901 -2.3130816 -0.4004727 0.0726109 -0.4123571 -1.8719746 57 O -1.6814347 -0.0000000 0.0000000 0.0000000 -2.1818209 0.5364529 0.0000000 0.5297947 -2.0869221 58 O -1.6814347 -0.0000000 0.0000000 0.0000000 -2.1818209 -0.5364529 0.0000000 -0.5297947 -2.0869221 59 O -2.1818209 -0.0000000 0.5364529 0.0000000 -1.6814347 0.0000000 0.5297947 -0.0000000 -2.0869221 60 O -2.1818209 -0.0000000 -0.5364529 0.0000000 -1.6814347 0.0000000 -0.5297947 -0.0000000 -2.0869221 61 O -2.3496433 -0.0000000 0.3340259 0.0000000 -1.7073844 0.0000000 0.2167023 -0.0000000 -1.8119465 62 O -1.6814347 -0.0000000 0.0000000 0.0000000 -2.1818209 -0.5364529 0.0000000 -0.5297947 -2.0869221 63 O -1.6814347 -0.0000000 0.0000000 0.0000000 -2.1818209 0.5364529 0.0000000 0.5297947 -2.0869221 64 O -2.1818209 -0.0000000 0.5364529 0.0000000 -1.6814347 0.0000000 0.5297947 -0.0000000 -2.0869221 65 O -1.7073844 -0.0000000 0.0000000 0.0000000 -2.3496433 0.3340259 0.0000000 0.2167023 -1.8119465 66 O -1.7073844 -0.0000000 0.0000000 0.0000000 -2.3496433 -0.3340259 0.0000000 -0.2167023 -1.8119465 67 O -2.3496433 -0.0000000 0.3340259 0.0000000 -1.7073844 0.0000000 0.2167023 -0.0000000 -1.8119465 68 O -2.3496433 -0.0000000 -0.3340259 0.0000000 -1.7073844 0.0000000 -0.2167023 -0.0000000 -1.8119465 69 O -2.3496433 -0.0000000 -0.3340259 0.0000000 -1.7073844 0.0000000 -0.2167023 -0.0000000 -1.8119465 70 O -1.7073844 -0.0000000 0.0000000 0.0000000 -2.3496433 -0.3340259 0.0000000 -0.2167023 -1.8119465 71 O -1.7073844 -0.0000000 0.0000000 0.0000000 -2.3496433 0.3340259 0.0000000 0.2167023 -1.8119465 72 O -2.1818209 -0.0000000 -0.5364529 0.0000000 -1.6814347 0.0000000 -0.5297947 -0.0000000 -2.0869221 73 Tl 2.9543607 -0.0000000 0.0000000 0.0000000 2.9899336 -0.2510544 0.0000000 -0.3199654 2.6963624 74 Tl 2.9543607 -0.0000000 0.0000000 0.0000000 2.9899336 0.2510544 0.0000000 0.3199654 2.6963624 75 Tl 2.9899336 -0.0000000 -0.2510544 0.0000000 2.9543607 0.0000000 -0.3199654 -0.0000000 2.6963624 76 Tl 2.9899336 -0.0000000 0.2510544 0.0000000 2.9543607 0.0000000 0.3199654 -0.0000000 2.6963624 77 Tl 2.9899336 -0.0000000 0.2510544 0.0000000 2.9543607 0.0000000 0.3199654 -0.0000000 2.6963624 78 Tl 2.9543607 -0.0000000 0.0000000 0.0000000 2.9899336 0.2510544 0.0000000 0.3199654 2.6963624 79 Tl 2.9543607 -0.0000000 0.0000000 0.0000000 2.9899336 -0.2510544 0.0000000 -0.3199654 2.6963624 80 Tl 2.9899336 -0.0000000 -0.2510544 0.0000000 2.9543607 0.0000000 -0.3199654 -0.0000000 2.6963624 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 20, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 06:23:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:23:42]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.183904460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.183904460000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.713865030000000 Atomic positions (fractional): 1 Li 0.12974813849980 0.87025186150020 0.50000000000000 6.941 2 Li 0.62974813849980 0.62974813849980 0.00000000000000 6.941 3 Li 0.37025186150020 0.37025186150020 0.00000000000000 6.941 4 Li 0.87025186150020 0.12974813849980 0.50000000000000 6.941 5 Li 0.37025186150020 0.62974813849980 0.00000000000000 6.941 6 Li 0.87025186150020 0.87025186150020 0.50000000000000 6.941 7 Li 0.12974813849980 0.12974813849980 0.50000000000000 6.941 8 Li 0.62974813849980 0.37025186150020 0.00000000000000 6.941 9 Li 0.35952455515208 0.89176530194477 0.56784376449267 6.941 10 Li 0.64047544484791 0.10823469805523 0.56784376449267 6.941 11 Li 0.39176530194477 0.14047544484791 0.06784376449267 6.941 12 Li 0.60823469805523 0.85952455515209 0.06784376449267 6.941 13 Li 0.89176530194477 0.35952455515208 0.43215623550733 6.941 14 Li 0.14047544484791 0.39176530194477 0.93215623550733 6.941 15 Li 0.85952455515209 0.60823469805523 0.93215623550733 6.941 16 Li 0.10823469805523 0.64047544484791 0.43215623550733 6.941 17 Li 0.14047544484791 0.60823469805523 0.93215623550733 6.941 18 Li 0.85952455515209 0.39176530194477 0.93215623550733 6.941 19 Li 0.10823469805523 0.35952455515208 0.43215623550733 6.941 20 Li 0.23782898626792 0.76217101373208 0.00000000000000 6.941 21 Li 0.60823469805523 0.14047544484791 0.06784376449267 6.941 22 Li 0.35952455515208 0.10823469805523 0.56784376449267 6.941 23 Li 0.64047544484791 0.89176530194477 0.56784376449267 6.941 24 Li 0.39176530194477 0.85952455515209 0.06784376449267 6.941 25 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 26 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 27 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 28 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 29 Li 0.00000000000000 0.50000000000000 0.89973245071798 6.941 30 Li 0.00000000000000 0.50000000000000 0.39973245071798 6.941 31 Li 0.50000000000000 0.00000000000000 0.60026754928202 6.941 32 Li 0.50000000000000 0.00000000000000 0.10026754928202 6.941 33 Li 0.73782898626792 0.26217101373208 0.50000000000000 6.941 34 Li 0.23782898626792 0.23782898626792 0.00000000000000 6.941 35 Li 0.76217101373208 0.76217101373208 0.00000000000000 6.941 36 Li 0.26217101373208 0.73782898626792 0.50000000000000 6.941 37 Li 0.76217101373208 0.23782898626792 0.00000000000000 6.941 38 Li 0.26217101373208 0.26217101373208 0.50000000000000 6.941 39 Li 0.73782898626792 0.73782898626792 0.50000000000000 6.941 40 Li 0.89176530194477 0.64047544484791 0.43215623550733 6.941 41 O 0.86425909542765 0.26011160863569 0.71847288664690 15.999 42 O 0.13574090457235 0.73988839136431 0.71847288664690 15.999 43 O 0.76011160863569 0.63574090457235 0.21847288664690 15.999 44 O 0.23988839136431 0.36425909542765 0.21847288664690 15.999 45 O 0.26011160863569 0.86425909542765 0.28152711335310 15.999 46 O 0.63574090457235 0.76011160863569 0.78152711335310 15.999 47 O 0.36425909542765 0.23988839136431 0.78152711335310 15.999 48 O 0.73988839136431 0.13574090457235 0.28152711335310 15.999 49 O 0.63574090457235 0.23988839136431 0.78152711335310 15.999 50 O 0.36425909542765 0.76011160863569 0.78152711335310 15.999 51 O 0.73988839136431 0.86425909542765 0.28152711335310 15.999 52 O 0.26011160863569 0.13574090457235 0.28152711335310 15.999 53 O 0.23988839136431 0.63574090457235 0.21847288664690 15.999 54 O 0.86425909542765 0.73988839136431 0.71847288664690 15.999 55 O 0.13574090457235 0.26011160863569 0.71847288664690 15.999 56 O 0.76011160863569 0.36425909542765 0.21847288664690 15.999 57 O 0.00000000000000 0.11446876310792 0.27357890446507 15.999 58 O 0.00000000000000 0.88553123689208 0.27357890446507 15.999 59 O 0.61446876310792 0.50000000000000 0.77357890446507 15.999 60 O 0.38553123689208 0.50000000000000 0.77357890446507 15.999 61 O 0.38392473403036 0.00000000000000 0.84245751733041 15.999 62 O 0.50000000000000 0.61446876310792 0.22642109553493 15.999 63 O 0.50000000000000 0.38553123689208 0.22642109553493 15.999 64 O 0.88553123689208 0.00000000000000 0.72642109553493 15.999 65 O 0.00000000000000 0.61607526596964 0.15754248266959 15.999 66 O 0.00000000000000 0.38392473403036 0.15754248266959 15.999 67 O 0.11607526596964 0.50000000000000 0.65754248266959 15.999 68 O 0.88392473403036 0.50000000000000 0.65754248266959 15.999 69 O 0.61607526596964 0.00000000000000 0.84245751733041 15.999 70 O 0.50000000000000 0.11607526596964 0.34245751733041 15.999 71 O 0.50000000000000 0.88392473403036 0.34245751733041 15.999 72 O 0.11446876310792 0.00000000000000 0.72642109553493 15.999 73 Tl 0.00000000000000 0.22687344298218 0.95969338390609 204.383 74 Tl 0.00000000000000 0.77312655701782 0.95969338390609 204.383 75 Tl 0.72687344298218 0.50000000000000 0.45969338390609 204.383 76 Tl 0.27312655701782 0.50000000000000 0.45969338390609 204.383 77 Tl 0.22687344298218 0.00000000000000 0.04030661609391 204.383 78 Tl 0.50000000000000 0.72687344298218 0.54030661609391 204.383 79 Tl 0.50000000000000 0.27312655701782 0.54030661609391 204.383 80 Tl 0.77312655701782 0.00000000000000 0.04030661609391 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.183904460000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.183904460000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.713865030000000 Atomic positions (fractional): 1 Li 0.12974813849980 0.87025186150020 0.50000000000000 6.941 > 1 2 Li 0.62974813849980 0.62974813849980 0.00000000000000 6.941 > 2 3 Li 0.37025186150020 0.37025186150020 0.00000000000000 6.941 > 3 4 Li 0.87025186150020 0.12974813849980 0.50000000000000 6.941 > 4 5 Li 0.37025186150020 0.62974813849980 0.00000000000000 6.941 > 5 6 Li 0.87025186150020 0.87025186150020 0.50000000000000 6.941 > 6 7 Li 0.12974813849980 0.12974813849980 0.50000000000000 6.941 > 7 8 Li 0.62974813849980 0.37025186150020 0.00000000000000 6.941 > 8 9 Li 0.35952455515208 0.89176530194477 0.56784376449267 6.941 > 9 10 Li 0.64047544484791 0.10823469805523 0.56784376449267 6.941 > 10 11 Li 0.39176530194477 0.14047544484791 0.06784376449267 6.941 > 11 12 Li 0.60823469805523 0.85952455515209 0.06784376449267 6.941 > 12 13 Li 0.89176530194477 0.35952455515208 0.43215623550733 6.941 > 13 14 Li 0.14047544484791 0.39176530194477 0.93215623550733 6.941 > 14 15 Li 0.85952455515209 0.60823469805523 0.93215623550733 6.941 > 15 16 Li 0.10823469805523 0.64047544484791 0.43215623550733 6.941 > 16 17 Li 0.14047544484791 0.60823469805523 0.93215623550733 6.941 > 17 18 Li 0.85952455515209 0.39176530194477 0.93215623550733 6.941 > 18 19 Li 0.10823469805523 0.35952455515208 0.43215623550733 6.941 > 19 20 Li 0.23782898626792 0.76217101373208 0.00000000000000 6.941 > 20 21 Li 0.60823469805523 0.14047544484791 0.06784376449267 6.941 > 21 22 Li 0.35952455515208 0.10823469805523 0.56784376449267 6.941 > 22 23 Li 0.64047544484791 0.89176530194477 0.56784376449267 6.941 > 23 24 Li 0.39176530194477 0.85952455515209 0.06784376449267 6.941 > 24 25 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 25 26 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 26 27 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 27 28 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 28 29 Li 0.00000000000000 0.50000000000000 0.89973245071798 6.941 > 29 30 Li 0.00000000000000 0.50000000000000 0.39973245071798 6.941 > 30 31 Li 0.50000000000000 0.00000000000000 0.60026754928202 6.941 > 31 32 Li 0.50000000000000 0.00000000000000 0.10026754928202 6.941 > 32 33 Li 0.73782898626792 0.26217101373208 0.50000000000000 6.941 > 33 34 Li 0.23782898626792 0.23782898626792 0.00000000000000 6.941 > 34 35 Li 0.76217101373208 0.76217101373208 0.00000000000000 6.941 > 35 36 Li 0.26217101373208 0.73782898626792 0.50000000000000 6.941 > 36 37 Li 0.76217101373208 0.23782898626792 0.00000000000000 6.941 > 37 38 Li 0.26217101373208 0.26217101373208 0.50000000000000 6.941 > 38 39 Li 0.73782898626792 0.73782898626792 0.50000000000000 6.941 > 39 40 Li 0.89176530194477 0.64047544484791 0.43215623550733 6.941 > 40 41 O 0.86425909542765 0.26011160863569 0.71847288664690 15.999 > 41 42 O 0.13574090457235 0.73988839136431 0.71847288664690 15.999 > 42 43 O 0.76011160863569 0.63574090457235 0.21847288664690 15.999 > 43 44 O 0.23988839136431 0.36425909542765 0.21847288664690 15.999 > 44 45 O 0.26011160863569 0.86425909542765 0.28152711335310 15.999 > 45 46 O 0.63574090457235 0.76011160863569 0.78152711335310 15.999 > 46 47 O 0.36425909542765 0.23988839136431 0.78152711335310 15.999 > 47 48 O 0.73988839136431 0.13574090457235 0.28152711335310 15.999 > 48 49 O 0.63574090457235 0.23988839136431 0.78152711335310 15.999 > 49 50 O 0.36425909542765 0.76011160863569 0.78152711335310 15.999 > 50 51 O 0.73988839136431 0.86425909542765 0.28152711335310 15.999 > 51 52 O 0.26011160863569 0.13574090457235 0.28152711335310 15.999 > 52 53 O 0.23988839136431 0.63574090457235 0.21847288664690 15.999 > 53 54 O 0.86425909542765 0.73988839136431 0.71847288664690 15.999 > 54 55 O 0.13574090457235 0.26011160863569 0.71847288664690 15.999 > 55 56 O 0.76011160863569 0.36425909542765 0.21847288664690 15.999 > 56 57 O 0.00000000000000 0.11446876310792 0.27357890446507 15.999 > 57 58 O 0.00000000000000 0.88553123689208 0.27357890446507 15.999 > 58 59 O 0.61446876310792 0.50000000000000 0.77357890446507 15.999 > 59 60 O 0.38553123689208 0.50000000000000 0.77357890446507 15.999 > 60 61 O 0.38392473403036 0.00000000000000 0.84245751733041 15.999 > 61 62 O 0.50000000000000 0.61446876310792 0.22642109553493 15.999 > 62 63 O 0.50000000000000 0.38553123689208 0.22642109553493 15.999 > 63 64 O 0.88553123689208 0.00000000000000 0.72642109553493 15.999 > 64 65 O 0.00000000000000 0.61607526596964 0.15754248266959 15.999 > 65 66 O 0.00000000000000 0.38392473403036 0.15754248266959 15.999 > 66 67 O 0.11607526596964 0.50000000000000 0.65754248266959 15.999 > 67 68 O 0.88392473403036 0.50000000000000 0.65754248266959 15.999 > 68 69 O 0.61607526596964 0.00000000000000 0.84245751733041 15.999 > 69 70 O 0.50000000000000 0.11607526596964 0.34245751733041 15.999 > 70 71 O 0.50000000000000 0.88392473403036 0.34245751733041 15.999 > 71 72 O 0.11446876310792 0.00000000000000 0.72642109553493 15.999 > 72 73 Tl 0.00000000000000 0.22687344298218 0.95969338390609 204.383 > 73 74 Tl 0.00000000000000 0.77312655701782 0.95969338390609 204.383 > 74 75 Tl 0.72687344298218 0.50000000000000 0.45969338390609 204.383 > 75 76 Tl 0.27312655701782 0.50000000000000 0.45969338390609 204.383 > 76 77 Tl 0.22687344298218 0.00000000000000 0.04030661609391 204.383 > 77 78 Tl 0.50000000000000 0.72687344298218 0.54030661609391 204.383 > 78 79 Tl 0.50000000000000 0.27312655701782 0.54030661609391 204.383 > 79 80 Tl 0.77312655701782 0.00000000000000 0.04030661609391 204.383 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1049196 0.0000000 0.0000000 0.0000000 4.1049196 0.0000000 0.0000000 0.0000000 3.9454014 -------------------------- Born effective charges -------------------------- 1 Li 0.9364183 0.1534562 -0.0089742 0.1534562 0.9364183 -0.0089742 -0.0092516 -0.0092516 1.0987620 2 Li 0.9364183 -0.1534562 0.0089742 -0.1534562 0.9364183 -0.0089742 0.0092516 -0.0092516 1.0987620 3 Li 0.9364183 -0.1534562 -0.0089742 -0.1534562 0.9364183 0.0089742 -0.0092516 0.0092516 1.0987620 4 Li 0.9364183 0.1534562 0.0089742 0.1534562 0.9364183 0.0089742 0.0092516 0.0092516 1.0987620 5 Li 0.9364183 0.1534562 -0.0089742 0.1534562 0.9364183 -0.0089742 -0.0092516 -0.0092516 1.0987620 6 Li 0.9364183 -0.1534562 0.0089742 -0.1534562 0.9364183 -0.0089742 0.0092516 -0.0092516 1.0987620 7 Li 0.9364183 -0.1534562 -0.0089742 -0.1534562 0.9364183 0.0089742 -0.0092516 0.0092516 1.0987620 8 Li 0.9364183 0.1534562 0.0089742 0.1534562 0.9364183 0.0089742 0.0092516 0.0092516 1.0987620 9 Li 0.9304774 -0.1293198 0.0241995 -0.1506135 0.9022079 -0.0357172 0.1355570 0.1943189 0.9819658 10 Li 0.9304774 -0.1293198 -0.0241995 -0.1506135 0.9022079 0.0357172 -0.1355570 -0.1943189 0.9819658 11 Li 0.9022079 0.1506135 -0.0357172 0.1293198 0.9304774 -0.0241995 0.1943189 -0.1355570 0.9819658 12 Li 0.9022079 0.1506135 0.0357172 0.1293198 0.9304774 0.0241995 -0.1943189 0.1355570 0.9819658 13 Li 0.9022079 -0.1506135 0.0357172 -0.1293198 0.9304774 -0.0241995 -0.1943189 -0.1355570 0.9819658 14 Li 0.9304774 0.1293198 0.0241995 0.1506135 0.9022079 0.0357172 0.1355570 -0.1943189 0.9819658 15 Li 0.9304774 0.1293198 -0.0241995 0.1506135 0.9022079 -0.0357172 -0.1355570 0.1943189 0.9819658 16 Li 0.9022079 -0.1506135 -0.0357172 -0.1293198 0.9304774 0.0241995 0.1943189 0.1355570 0.9819658 17 Li 0.9304774 -0.1293198 0.0241995 -0.1506135 0.9022079 -0.0357172 0.1355570 0.1943189 0.9819658 18 Li 0.9304774 -0.1293198 -0.0241995 -0.1506135 0.9022079 0.0357172 -0.1355570 -0.1943189 0.9819658 19 Li 0.9022079 0.1506135 -0.0357172 0.1293198 0.9304774 -0.0241995 0.1943189 -0.1355570 0.9819658 20 Li 1.1492280 0.0244485 -0.0282011 0.0244485 1.1492280 -0.0282011 -0.2135563 -0.2135563 0.9361905 21 Li 0.9022079 -0.1506135 0.0357172 -0.1293198 0.9304774 -0.0241995 -0.1943189 -0.1355570 0.9819658 22 Li 0.9304774 0.1293198 0.0241995 0.1506135 0.9022079 0.0357172 0.1355570 -0.1943189 0.9819658 23 Li 0.9304774 0.1293198 -0.0241995 0.1506135 0.9022079 -0.0357172 -0.1355570 0.1943189 0.9819658 24 Li 0.9022079 -0.1506135 -0.0357172 -0.1293198 0.9304774 0.0241995 0.1943189 0.1355570 0.9819658 25 Li 1.0539874 -0.0000000 0.0000000 0.0000000 1.0539874 0.0000000 0.0000000 -0.0000000 0.6588348 26 Li 1.0539874 -0.0000000 0.0000000 0.0000000 1.0539874 0.0000000 0.0000000 -0.0000000 0.6588348 27 Li 1.1534057 -0.0000000 0.0000000 0.0000000 1.1534057 0.0000000 0.0000000 -0.0000000 1.2833300 28 Li 1.1534057 -0.0000000 0.0000000 0.0000000 1.1534057 0.0000000 0.0000000 -0.0000000 1.2833300 29 Li 1.0671384 -0.0000000 0.0000000 0.0000000 1.0088730 0.0000000 0.0000000 -0.0000000 0.9240605 30 Li 1.0088730 -0.0000000 0.0000000 0.0000000 1.0671384 0.0000000 0.0000000 -0.0000000 0.9240605 31 Li 1.0671384 -0.0000000 0.0000000 0.0000000 1.0088730 0.0000000 0.0000000 -0.0000000 0.9240605 32 Li 1.0088730 -0.0000000 0.0000000 0.0000000 1.0671384 0.0000000 0.0000000 -0.0000000 0.9240605 33 Li 1.1492280 0.0244485 0.0282011 0.0244485 1.1492280 0.0282011 0.2135563 0.2135563 0.9361905 34 Li 1.1492280 -0.0244485 -0.0282011 -0.0244485 1.1492280 0.0282011 -0.2135563 0.2135563 0.9361905 35 Li 1.1492280 -0.0244485 0.0282011 -0.0244485 1.1492280 -0.0282011 0.2135563 -0.2135563 0.9361905 36 Li 1.1492280 0.0244485 -0.0282011 0.0244485 1.1492280 -0.0282011 -0.2135563 -0.2135563 0.9361905 37 Li 1.1492280 0.0244485 0.0282011 0.0244485 1.1492280 0.0282011 0.2135563 0.2135563 0.9361905 38 Li 1.1492280 -0.0244485 -0.0282011 -0.0244485 1.1492280 0.0282011 -0.2135563 0.2135563 0.9361905 39 Li 1.1492280 -0.0244485 0.0282011 -0.0244485 1.1492280 -0.0282011 0.2135563 -0.2135563 0.9361905 40 Li 0.9022079 0.1506135 0.0357172 0.1293198 0.9304774 0.0241995 -0.1943189 0.1355570 0.9819658 41 O -2.3130816 0.1639901 -0.4004727 0.0677650 -1.6881067 -0.0299838 -0.4123571 0.0726109 -1.8719746 42 O -2.3130816 0.1639901 0.4004727 0.0677650 -1.6881067 0.0299838 0.4123571 -0.0726109 -1.8719746 43 O -1.6881067 -0.0677650 -0.0299838 -0.1639901 -2.3130816 0.4004727 0.0726109 0.4123571 -1.8719746 44 O -1.6881067 -0.0677650 0.0299838 -0.1639901 -2.3130816 -0.4004727 -0.0726109 -0.4123571 -1.8719746 45 O -1.6881067 0.0677650 0.0299838 0.1639901 -2.3130816 0.4004727 -0.0726109 0.4123571 -1.8719746 46 O -2.3130816 -0.1639901 -0.4004727 -0.0677650 -1.6881067 0.0299838 -0.4123571 -0.0726109 -1.8719746 47 O -2.3130816 -0.1639901 0.4004727 -0.0677650 -1.6881067 -0.0299838 0.4123571 0.0726109 -1.8719746 48 O -1.6881067 0.0677650 -0.0299838 0.1639901 -2.3130816 -0.4004727 0.0726109 -0.4123571 -1.8719746 49 O -2.3130816 0.1639901 -0.4004727 0.0677650 -1.6881067 -0.0299838 -0.4123571 0.0726109 -1.8719746 50 O -2.3130816 0.1639901 0.4004727 0.0677650 -1.6881067 0.0299838 0.4123571 -0.0726109 -1.8719746 51 O -1.6881067 -0.0677650 -0.0299838 -0.1639901 -2.3130816 0.4004727 0.0726109 0.4123571 -1.8719746 52 O -1.6881067 -0.0677650 0.0299838 -0.1639901 -2.3130816 -0.4004727 -0.0726109 -0.4123571 -1.8719746 53 O -1.6881067 0.0677650 0.0299838 0.1639901 -2.3130816 0.4004727 -0.0726109 0.4123571 -1.8719746 54 O -2.3130816 -0.1639901 -0.4004727 -0.0677650 -1.6881067 0.0299838 -0.4123571 -0.0726109 -1.8719746 55 O -2.3130816 -0.1639901 0.4004727 -0.0677650 -1.6881067 -0.0299838 0.4123571 0.0726109 -1.8719746 56 O -1.6881067 0.0677650 -0.0299838 0.1639901 -2.3130816 -0.4004727 0.0726109 -0.4123571 -1.8719746 57 O -1.6814347 -0.0000000 0.0000000 0.0000000 -2.1818209 0.5364529 0.0000000 0.5297947 -2.0869221 58 O -1.6814347 -0.0000000 0.0000000 0.0000000 -2.1818209 -0.5364529 0.0000000 -0.5297947 -2.0869221 59 O -2.1818209 -0.0000000 0.5364529 0.0000000 -1.6814347 0.0000000 0.5297947 -0.0000000 -2.0869221 60 O -2.1818209 -0.0000000 -0.5364529 0.0000000 -1.6814347 0.0000000 -0.5297947 -0.0000000 -2.0869221 61 O -2.3496433 -0.0000000 0.3340259 0.0000000 -1.7073844 0.0000000 0.2167023 -0.0000000 -1.8119465 62 O -1.6814347 -0.0000000 0.0000000 0.0000000 -2.1818209 -0.5364529 0.0000000 -0.5297947 -2.0869221 63 O -1.6814347 -0.0000000 0.0000000 0.0000000 -2.1818209 0.5364529 0.0000000 0.5297947 -2.0869221 64 O -2.1818209 -0.0000000 0.5364529 0.0000000 -1.6814347 0.0000000 0.5297947 -0.0000000 -2.0869221 65 O -1.7073844 -0.0000000 0.0000000 0.0000000 -2.3496433 0.3340259 0.0000000 0.2167023 -1.8119465 66 O -1.7073844 -0.0000000 0.0000000 0.0000000 -2.3496433 -0.3340259 0.0000000 -0.2167023 -1.8119465 67 O -2.3496433 -0.0000000 0.3340259 0.0000000 -1.7073844 0.0000000 0.2167023 -0.0000000 -1.8119465 68 O -2.3496433 -0.0000000 -0.3340259 0.0000000 -1.7073844 0.0000000 -0.2167023 -0.0000000 -1.8119465 69 O -2.3496433 -0.0000000 -0.3340259 0.0000000 -1.7073844 0.0000000 -0.2167023 -0.0000000 -1.8119465 70 O -1.7073844 -0.0000000 0.0000000 0.0000000 -2.3496433 -0.3340259 0.0000000 -0.2167023 -1.8119465 71 O -1.7073844 -0.0000000 0.0000000 0.0000000 -2.3496433 0.3340259 0.0000000 0.2167023 -1.8119465 72 O -2.1818209 -0.0000000 -0.5364529 0.0000000 -1.6814347 0.0000000 -0.5297947 -0.0000000 -2.0869221 73 Tl 2.9543607 -0.0000000 0.0000000 0.0000000 2.9899336 -0.2510544 0.0000000 -0.3199654 2.6963624 74 Tl 2.9543607 -0.0000000 0.0000000 0.0000000 2.9899336 0.2510544 0.0000000 0.3199654 2.6963624 75 Tl 2.9899336 -0.0000000 -0.2510544 0.0000000 2.9543607 0.0000000 -0.3199654 -0.0000000 2.6963624 76 Tl 2.9899336 -0.0000000 0.2510544 0.0000000 2.9543607 0.0000000 0.3199654 -0.0000000 2.6963624 77 Tl 2.9899336 -0.0000000 0.2510544 0.0000000 2.9543607 0.0000000 0.3199654 -0.0000000 2.6963624 78 Tl 2.9543607 -0.0000000 0.0000000 0.0000000 2.9899336 0.2510544 0.0000000 0.3199654 2.6963624 79 Tl 2.9543607 -0.0000000 0.0000000 0.0000000 2.9899336 -0.2510544 0.0000000 -0.3199654 2.6963624 80 Tl 2.9899336 -0.0000000 -0.2510544 0.0000000 2.9543607 0.0000000 -0.3199654 -0.0000000 2.6963624 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 4 11 ] 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: 0.44, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.369 ( 0.000 0.000 -0.000) 0.000 1.714 ( -0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 -0.000) 0.000 1.735 ( -0.000 0.000 0.000) 0.000 1.735 ( -0.000 0.000 0.000) 0.000 1.843 ( 0.000 0.000 0.000) 0.000 2.036 ( 0.000 0.000 0.000) 0.000 2.062 ( -0.000 -0.000 0.000) 0.000 2.062 ( 0.000 0.000 -0.000) 0.000 2.117 ( -0.000 0.000 0.000) 0.000 2.117 ( -0.000 0.000 -0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.278 ( -0.000 0.000 0.000) 0.000 2.524 ( -0.000 0.000 0.000) 0.000 2.524 ( -0.000 -0.000 0.000) 0.000 2.668 ( 0.000 0.000 0.000) 0.000 2.772 ( -0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 -0.000) 0.000 2.939 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 -0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.562 ( -0.000 0.000 -0.000) 0.000 3.632 ( 0.000 0.000 0.000) 0.000 3.995 ( -0.000 0.000 0.000) 0.000 5.071 ( -0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 -0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 -0.000 0.000) 0.000 5.685 ( -0.000 0.000 0.000) 0.000 6.077 ( 0.000 0.000 0.000) 0.000 6.078 ( 0.000 0.000 0.000) 0.000 6.078 ( 0.000 0.000 -0.000) 0.000 6.096 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.210 ( -0.000 0.000 0.000) 0.000 6.210 ( 0.000 0.000 0.000) 0.000 6.383 ( -0.000 0.000 0.000) 0.000 6.508 ( 0.000 0.000 0.000) 0.000 6.701 ( -0.000 0.000 0.000) 0.000 6.852 ( 0.000 0.000 -0.000) 0.000 6.852 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 7.110 ( -0.000 0.000 -0.000) 0.000 7.110 ( 0.000 -0.000 0.000) 0.000 7.211 ( 0.000 0.000 0.000) 0.000 7.377 ( 0.000 0.000 -0.000) 0.000 7.402 ( -0.000 0.000 0.000) 0.000 7.664 ( 0.000 0.000 0.000) 0.000 7.664 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 -0.000) 0.000 7.786 ( -0.000 0.000 -0.000) 0.000 7.802 ( -0.000 0.000 0.000) 0.000 7.802 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 0.000 -0.000) 0.000 7.940 ( -0.000 0.000 -0.000) 0.000 8.073 ( 0.000 0.000 0.000) 0.000 8.327 ( 0.000 0.000 0.000) 0.000 8.327 ( 0.000 0.000 0.000) 0.000 8.536 ( -0.000 0.000 0.000) 0.000 8.537 ( 0.000 0.000 0.000) 0.000 8.634 ( -0.000 0.000 0.000) 0.000 8.661 ( 0.000 0.000 0.000) 0.000 8.661 ( 0.000 0.000 0.000) 0.000 8.721 ( 0.000 0.000 0.000) 0.000 8.721 ( 0.000 0.000 0.000) 0.000 8.848 ( -0.000 0.000 0.000) 0.000 8.946 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 -0.000) 0.000 9.257 ( 0.000 0.000 -0.000) 0.000 9.289 ( 0.000 0.000 0.000) 0.000 9.289 ( -0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 9.351 ( -0.000 -0.000 0.000) 0.000 9.431 ( 0.000 0.000 0.000) 0.000 9.449 ( 0.000 0.000 0.000) 0.000 9.481 ( -0.000 0.000 0.000) 0.000 9.716 ( -0.000 0.000 0.000) 0.000 9.716 ( 0.000 0.000 0.000) 0.000 9.877 ( -0.000 -0.000 0.000) 0.000 9.906 ( 0.000 0.000 0.000) 0.000 9.906 ( 0.000 0.000 -0.000) 0.000 10.016 ( -0.000 0.000 0.000) 0.000 10.180 ( 0.000 -0.000 -0.000) 0.000 10.180 ( 0.000 0.000 0.000) 0.000 10.417 ( 0.000 0.000 0.000) 0.000 10.489 ( 0.000 0.000 0.000) 0.000 10.489 ( 0.000 0.000 0.000) 0.000 10.518 ( 0.000 0.000 0.000) 0.000 10.582 ( 0.000 0.000 -0.000) 0.000 10.582 ( 0.000 0.000 0.000) 0.000 10.596 ( -0.000 0.000 0.000) 0.000 10.749 ( 0.000 0.000 0.000) 0.000 10.749 ( 0.000 0.000 0.000) 0.000 10.776 ( 0.000 0.000 0.000) 0.000 10.781 ( 0.000 -0.000 0.000) 0.000 10.792 ( 0.000 -0.000 -0.000) 0.000 10.806 ( -0.000 -0.000 -0.000) 0.000 10.869 ( -0.000 0.000 0.000) 0.000 10.982 ( 0.000 0.000 0.000) 0.000 10.987 ( -0.000 0.000 0.000) 0.000 10.987 ( -0.000 0.000 0.000) 0.000 11.035 ( 0.000 0.000 0.000) 0.000 11.092 ( 0.000 0.000 0.000) 0.000 11.244 ( -0.000 0.000 -0.000) 0.000 11.244 ( -0.000 0.000 -0.000) 0.000 11.301 ( -0.000 0.000 -0.000) 0.000 11.342 ( 0.000 -0.000 -0.000) 0.000 11.342 ( 0.000 0.000 -0.000) 0.000 11.417 ( 0.000 -0.000 0.000) 0.000 11.469 ( 0.000 0.000 0.000) 0.000 11.532 ( -0.000 0.000 0.000) 0.000 11.532 ( 0.000 0.000 0.000) 0.000 11.552 ( 0.000 0.000 0.000) 0.000 11.597 ( 0.000 -0.000 -0.000) 0.000 11.597 ( -0.000 0.000 -0.000) 0.000 11.608 ( 0.000 -0.000 0.000) 0.000 11.610 ( 0.000 -0.000 -0.000) 0.000 11.789 ( 0.000 0.000 0.000) 0.000 11.789 ( 0.000 0.000 -0.000) 0.000 11.839 ( 0.000 -0.000 -0.000) 0.000 11.897 ( 0.000 0.000 0.000) 0.000 11.970 ( -0.000 0.000 -0.000) 0.000 11.970 ( 0.000 0.000 0.000) 0.000 11.990 ( 0.000 -0.000 -0.000) 0.000 12.188 ( -0.000 0.000 0.000) 0.000 12.237 ( -0.000 0.000 0.000) 0.000 12.266 ( -0.000 0.000 0.000) 0.000 12.342 ( 0.000 -0.000 0.000) 0.000 12.342 ( 0.000 -0.000 0.000) 0.000 12.378 ( 0.000 0.000 -0.000) 0.000 12.415 ( -0.000 0.000 0.000) 0.000 12.415 ( 0.000 0.000 0.000) 0.000 12.454 ( 0.000 0.000 0.000) 0.000 12.491 ( 0.000 0.000 0.000) 0.000 12.493 ( -0.000 0.000 -0.000) 0.000 12.521 ( -0.000 0.000 0.000) 0.000 12.521 ( 0.000 0.000 -0.000) 0.000 12.592 ( -0.000 0.000 -0.000) 0.000 12.592 ( 0.000 0.000 0.000) 0.000 12.709 ( -0.000 0.000 0.000) 0.000 12.794 ( -0.000 0.000 -0.000) 0.000 12.894 ( 0.000 0.000 0.000) 0.000 12.894 ( 0.000 0.000 0.000) 0.000 12.903 ( 0.000 0.000 0.000) 0.000 12.909 ( -0.000 -0.000 -0.000) 0.000 12.911 ( 0.000 -0.000 0.000) 0.000 12.911 ( 0.000 0.000 0.000) 0.000 13.198 ( -0.000 0.000 0.000) 0.000 13.252 ( 0.000 0.000 0.000) 0.000 13.401 ( 0.000 0.000 0.000) 0.000 13.453 ( -0.000 0.000 -0.000) 0.000 13.453 ( 0.000 0.000 -0.000) 0.000 13.494 ( -0.000 0.000 0.000) 0.000 13.494 ( 0.000 0.000 -0.000) 0.000 13.553 ( -0.000 0.000 0.000) 0.000 13.595 ( -0.000 0.000 -0.000) 0.000 13.937 ( 0.000 -0.000 0.000) 0.000 13.938 ( 0.000 0.000 0.000) 0.000 13.938 ( -0.000 0.000 0.000) 0.000 14.020 ( 0.000 -0.000 -0.000) 0.000 14.020 ( 0.000 0.000 -0.000) 0.000 14.257 ( -0.000 0.000 0.000) 0.000 14.257 ( -0.000 0.000 0.000) 0.000 14.324 ( 0.000 0.000 0.000) 0.000 14.381 ( 0.000 0.000 -0.000) 0.000 14.381 ( 0.000 -0.000 0.000) 0.000 14.415 ( -0.000 0.000 0.000) 0.000 14.428 ( 0.000 0.000 0.000) 0.000 14.471 ( -0.000 0.000 0.000) 0.000 14.475 ( 0.000 -0.000 0.000) 0.000 14.526 ( 0.000 -0.000 0.000) 0.000 14.526 ( 0.000 0.000 0.000) 0.000 14.700 ( -0.000 0.000 0.000) 0.000 14.826 ( 0.000 0.000 0.000) 0.000 14.892 ( 0.000 -0.000 0.000) 0.000 15.211 ( 0.000 0.000 -0.000) 0.000 15.356 ( -0.000 0.000 0.000) 0.000 15.356 ( 0.000 0.000 -0.000) 0.000 15.437 ( 0.000 -0.000 -0.000) 0.000 15.455 ( 0.000 -0.000 0.000) 0.000 15.455 ( -0.000 0.000 0.000) 0.000 15.499 ( -0.000 0.000 0.000) 0.000 15.499 ( -0.000 0.000 0.000) 0.000 15.660 ( 0.000 0.000 0.000) 0.000 15.750 ( -0.000 0.000 0.000) 0.000 15.750 ( -0.000 0.000 -0.000) 0.000 15.767 ( -0.000 0.000 0.000) 0.000 15.867 ( -0.000 0.000 -0.000) 0.000 15.867 ( 0.000 0.000 -0.000) 0.000 15.937 ( -0.000 0.000 -0.000) 0.000 15.963 ( -0.000 0.000 0.000) 0.000 16.481 ( -0.000 0.000 0.000) 0.000 16.481 ( 0.000 -0.000 -0.000) 0.000 16.611 ( -0.000 0.000 0.000) 0.000 16.619 ( 0.000 0.000 0.000) 0.000 16.695 ( -0.000 0.000 0.000) 0.000 17.203 ( -0.000 0.000 0.000) 0.000 17.746 ( -0.000 0.000 0.000) 0.000 17.746 ( -0.000 0.000 -0.000) 0.000 17.873 ( -0.000 0.000 0.000) 0.000 17.988 ( 0.000 0.000 0.000) 0.000 18.094 ( 0.000 0.000 0.000) 0.000 18.094 ( 0.000 0.000 0.000) 0.000 18.104 ( 0.000 -0.000 0.000) 0.000 18.227 ( -0.000 0.000 0.000) 0.000 18.346 ( 0.000 0.000 -0.000) 0.000 18.346 ( -0.000 0.000 -0.000) 0.000 18.360 ( 0.000 -0.000 -0.000) 0.000 18.360 ( -0.000 0.000 -0.000) 0.000 18.505 ( 0.000 0.000 0.000) 0.000 18.553 ( 0.000 0.000 -0.000) 0.000 18.663 ( -0.000 0.000 -0.000) 0.000 18.753 ( -0.000 0.000 -0.000) 0.000 19.027 ( 0.000 0.000 -0.000) 0.000 19.027 ( 0.000 0.000 0.000) 0.000 19.112 ( 0.000 0.000 0.000) 0.000 19.128 ( -0.000 -0.000 0.000) 0.000 19.196 ( 0.000 -0.000 0.000) 0.000 19.216 ( 0.000 0.000 0.000) 0.000 19.225 ( 0.000 -0.000 0.000) 0.000 19.417 ( -0.000 0.000 0.000) 0.000 19.417 ( 0.000 0.000 0.000) 0.000 19.512 ( -0.000 0.000 0.000) 0.000 19.616 ( -0.000 0.000 0.000) 0.000 19.616 ( 0.000 -0.000 0.000) 0.000 19.708 ( 0.000 0.000 0.000) 0.000 19.983 ( -0.000 0.000 0.000) 0.000 20.322 ( 0.000 0.000 0.000) 0.000 20.447 ( 0.000 0.000 0.000) 0.000 20.447 ( 0.000 0.000 0.000) 0.000 20.501 ( 0.000 0.000 0.000) 0.000 20.501 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 25.836 0.000 0.000) 25.836 0.604 ( 31.190 0.000 0.000) 31.190 0.988 ( 48.448 0.000 0.000) 48.448 1.273 ( -11.220 0.000 0.000) 11.220 1.631 ( -18.726 0.000 0.000) 18.726 1.701 ( 0.758 0.000 0.000) 0.758 1.736 ( 0.055 0.000 0.000) 0.055 1.755 ( 2.899 0.000 0.000) 2.899 1.849 ( 0.373 0.000 0.000) 0.373 2.065 ( 1.236 0.000 0.000) 1.236 2.066 ( 0.637 0.000 0.000) 0.637 2.074 ( 2.202 0.000 0.000) 2.202 2.123 ( 0.166 0.000 0.000) 0.166 2.207 ( 2.351 0.000 0.000) 2.351 2.229 ( 8.770 0.000 0.000) 8.770 2.244 ( -4.647 0.000 0.000) 4.647 2.486 ( -3.779 0.000 0.000) 3.779 2.525 ( -17.789 0.000 0.000) 17.789 2.577 ( 3.997 0.000 0.000) 3.997 2.683 ( -2.336 0.000 0.000) 2.336 2.757 ( -0.898 0.000 0.000) 0.898 2.877 ( -5.672 0.000 0.000) 5.672 3.032 ( 4.155 0.000 0.000) 4.155 3.213 ( -5.167 0.000 0.000) 5.167 3.569 ( 0.724 0.000 0.000) 0.724 3.618 ( -1.323 0.000 0.000) 1.323 3.875 ( 3.835 0.000 0.000) 3.835 3.979 ( -1.515 0.000 0.000) 1.515 5.073 ( 1.790 0.000 0.000) 1.790 5.193 ( 9.426 0.000 0.000) 9.426 5.203 ( -3.330 0.000 0.000) 3.330 5.220 ( 2.753 0.000 0.000) 2.753 5.340 ( 9.740 0.000 0.000) 9.740 5.507 ( 8.129 0.000 0.000) 8.129 5.603 ( -8.121 0.000 0.000) 8.121 5.814 ( -25.089 0.000 0.000) 25.089 5.972 ( -9.886 0.000 0.000) 9.886 6.036 ( -7.396 0.000 0.000) 7.396 6.076 ( 0.121 0.000 0.000) 0.121 6.124 ( -3.953 0.000 0.000) 3.953 6.144 ( 4.521 0.000 0.000) 4.521 6.400 ( 12.012 0.000 0.000) 12.012 6.404 ( -7.133 0.000 0.000) 7.133 6.627 ( 17.518 0.000 0.000) 17.518 6.752 ( 3.732 0.000 0.000) 3.732 6.913 ( -9.093 0.000 0.000) 9.093 6.982 ( 8.024 0.000 0.000) 8.024 7.086 ( -2.521 0.000 0.000) 2.521 7.089 ( 7.956 0.000 0.000) 7.956 7.104 ( -6.593 0.000 0.000) 6.593 7.190 ( -4.403 0.000 0.000) 4.403 7.221 ( 25.990 0.000 0.000) 25.990 7.342 ( -2.925 0.000 0.000) 2.925 7.434 ( 3.073 0.000 0.000) 3.073 7.669 ( -4.714 0.000 0.000) 4.714 7.695 ( -11.113 0.000 0.000) 11.113 7.718 ( 3.830 0.000 0.000) 3.830 7.760 ( 5.312 0.000 0.000) 5.312 7.778 ( 0.360 0.000 0.000) 0.360 7.844 ( -6.287 0.000 0.000) 6.287 8.001 ( 4.680 0.000 0.000) 4.680 8.016 ( 13.852 0.000 0.000) 13.852 8.052 ( -3.194 0.000 0.000) 3.194 8.126 ( -21.641 0.000 0.000) 21.641 8.351 ( -16.147 0.000 0.000) 16.147 8.423 ( 1.353 0.000 0.000) 1.353 8.522 ( 0.429 0.000 0.000) 0.429 8.605 ( -0.943 0.000 0.000) 0.943 8.615 ( -1.832 0.000 0.000) 1.832 8.699 ( -2.418 0.000 0.000) 2.418 8.704 ( -5.382 0.000 0.000) 5.382 8.715 ( -1.128 0.000 0.000) 1.128 8.788 ( 0.420 0.000 0.000) 0.420 8.831 ( 8.143 0.000 0.000) 8.143 9.154 ( -10.566 0.000 0.000) 10.566 9.156 ( -12.826 0.000 0.000) 12.826 9.278 ( 7.666 0.000 0.000) 7.666 9.290 ( 3.408 0.000 0.000) 3.408 9.333 ( 0.476 0.000 0.000) 0.476 9.386 ( 3.402 0.000 0.000) 3.402 9.399 ( -1.640 0.000 0.000) 1.640 9.495 ( 7.124 0.000 0.000) 7.124 9.511 ( 3.476 0.000 0.000) 3.476 9.545 ( 24.501 0.000 0.000) 24.501 9.640 ( -6.182 0.000 0.000) 6.182 9.842 ( -6.809 0.000 0.000) 6.809 9.880 ( 10.776 0.000 0.000) 10.776 9.954 ( 4.869 0.000 0.000) 4.869 10.002 ( 0.271 0.000 0.000) 0.271 10.040 ( 2.689 0.000 0.000) 2.689 10.120 ( 2.190 0.000 0.000) 2.190 10.205 ( 0.238 0.000 0.000) 0.238 10.391 ( -2.202 0.000 0.000) 2.202 10.391 ( -8.432 0.000 0.000) 8.432 10.454 ( -2.129 0.000 0.000) 2.129 10.494 ( -5.592 0.000 0.000) 5.592 10.534 ( 0.923 0.000 0.000) 0.923 10.593 ( -0.975 0.000 0.000) 0.975 10.628 ( 3.746 0.000 0.000) 3.746 10.714 ( -5.738 0.000 0.000) 5.738 10.718 ( -4.413 0.000 0.000) 4.413 10.743 ( 2.638 0.000 0.000) 2.638 10.751 ( -8.966 0.000 0.000) 8.966 10.785 ( 4.591 0.000 0.000) 4.591 10.872 ( -0.183 0.000 0.000) 0.183 10.894 ( 2.633 0.000 0.000) 2.633 10.958 ( -7.178 0.000 0.000) 7.178 10.989 ( -0.261 0.000 0.000) 0.261 10.990 ( 2.091 0.000 0.000) 2.091 11.036 ( -0.080 0.000 0.000) 0.080 11.113 ( -3.608 0.000 0.000) 3.608 11.117 ( 2.245 0.000 0.000) 2.245 11.291 ( -2.577 0.000 0.000) 2.577 11.296 ( 4.295 0.000 0.000) 4.295 11.377 ( 5.597 0.000 0.000) 5.597 11.406 ( -8.269 0.000 0.000) 8.269 11.422 ( 4.897 0.000 0.000) 4.897 11.461 ( 0.309 0.000 0.000) 0.309 11.531 ( -4.149 0.000 0.000) 4.149 11.570 ( -2.618 0.000 0.000) 2.618 11.576 ( 7.007 0.000 0.000) 7.007 11.581 ( -1.495 0.000 0.000) 1.495 11.598 ( 1.746 0.000 0.000) 1.746 11.665 ( 8.132 0.000 0.000) 8.132 11.721 ( -3.554 0.000 0.000) 3.554 11.768 ( 10.932 0.000 0.000) 10.932 11.823 ( 2.256 0.000 0.000) 2.256 11.876 ( 1.697 0.000 0.000) 1.697 11.918 ( 1.732 0.000 0.000) 1.732 11.940 ( -1.721 0.000 0.000) 1.721 11.973 ( -1.708 0.000 0.000) 1.708 12.003 ( -0.428 0.000 0.000) 0.428 12.134 ( -9.175 0.000 0.000) 9.175 12.138 ( -5.120 0.000 0.000) 5.120 12.256 ( 2.107 0.000 0.000) 2.107 12.339 ( -1.521 0.000 0.000) 1.521 12.358 ( 1.871 0.000 0.000) 1.871 12.381 ( 0.602 0.000 0.000) 0.602 12.392 ( -2.717 0.000 0.000) 2.717 12.454 ( -4.289 0.000 0.000) 4.289 12.463 ( 0.418 0.000 0.000) 0.418 12.464 ( -1.943 0.000 0.000) 1.943 12.526 ( 2.631 0.000 0.000) 2.631 12.572 ( 9.573 0.000 0.000) 9.573 12.572 ( -1.827 0.000 0.000) 1.827 12.602 ( 0.064 0.000 0.000) 0.064 12.622 ( 4.732 0.000 0.000) 4.732 12.721 ( 1.472 0.000 0.000) 1.472 12.750 ( -2.937 0.000 0.000) 2.937 12.771 ( -8.588 0.000 0.000) 8.588 12.871 ( -2.992 0.000 0.000) 2.992 12.896 ( -1.943 0.000 0.000) 1.943 12.914 ( -0.019 0.000 0.000) 0.019 12.929 ( 0.790 0.000 0.000) 0.790 13.245 ( 3.475 0.000 0.000) 3.475 13.261 ( 0.771 0.000 0.000) 0.771 13.309 ( -4.441 0.000 0.000) 4.441 13.336 ( 2.326 0.000 0.000) 2.326 13.399 ( -4.401 0.000 0.000) 4.401 13.456 ( -2.869 0.000 0.000) 2.869 13.558 ( 3.713 0.000 0.000) 3.713 13.574 ( 6.919 0.000 0.000) 6.919 13.637 ( 3.061 0.000 0.000) 3.061 13.682 ( 6.025 0.000 0.000) 6.025 13.881 ( -1.698 0.000 0.000) 1.698 13.925 ( 0.185 0.000 0.000) 0.185 14.003 ( 2.954 0.000 0.000) 2.954 14.009 ( -1.626 0.000 0.000) 1.626 14.161 ( -10.279 0.000 0.000) 10.279 14.230 ( -10.522 0.000 0.000) 10.522 14.240 ( 0.286 0.000 0.000) 0.286 14.267 ( 1.232 0.000 0.000) 1.232 14.359 ( -2.568 0.000 0.000) 2.568 14.366 ( -3.583 0.000 0.000) 3.583 14.449 ( 2.557 0.000 0.000) 2.557 14.485 ( 0.676 0.000 0.000) 0.676 14.497 ( 5.426 0.000 0.000) 5.426 14.666 ( 6.240 0.000 0.000) 6.240 14.675 ( 2.098 0.000 0.000) 2.098 14.691 ( 12.637 0.000 0.000) 12.637 14.823 ( -0.291 0.000 0.000) 0.291 14.892 ( 0.618 0.000 0.000) 0.618 15.092 ( 1.399 0.000 0.000) 1.399 15.183 ( -3.425 0.000 0.000) 3.425 15.216 ( -11.328 0.000 0.000) 11.328 15.255 ( -13.435 0.000 0.000) 13.435 15.379 ( 1.910 0.000 0.000) 1.910 15.386 ( -1.588 0.000 0.000) 1.588 15.437 ( -3.976 0.000 0.000) 3.976 15.478 ( -2.431 0.000 0.000) 2.431 15.646 ( 8.365 0.000 0.000) 8.365 15.713 ( 1.550 0.000 0.000) 1.550 15.764 ( -3.793 0.000 0.000) 3.793 15.765 ( -0.385 0.000 0.000) 0.385 15.792 ( 5.627 0.000 0.000) 5.627 15.914 ( 5.743 0.000 0.000) 5.743 15.944 ( -0.144 0.000 0.000) 0.144 16.158 ( 11.697 0.000 0.000) 11.697 16.303 ( -9.462 0.000 0.000) 9.462 16.447 ( -3.568 0.000 0.000) 3.568 16.607 ( -0.425 0.000 0.000) 0.425 16.612 ( -0.970 0.000 0.000) 0.970 16.783 ( 8.260 0.000 0.000) 8.260 17.124 ( -7.352 0.000 0.000) 7.352 17.659 ( 3.812 0.000 0.000) 3.812 17.753 ( 0.066 0.000 0.000) 0.066 17.792 ( 4.720 0.000 0.000) 4.720 17.892 ( 1.954 0.000 0.000) 1.954 17.971 ( -1.734 0.000 0.000) 1.734 18.036 ( -5.256 0.000 0.000) 5.256 18.154 ( 5.009 0.000 0.000) 5.009 18.252 ( 1.868 0.000 0.000) 1.868 18.326 ( -1.810 0.000 0.000) 1.810 18.331 ( -1.621 0.000 0.000) 1.621 18.351 ( 0.818 0.000 0.000) 0.818 18.383 ( 2.310 0.000 0.000) 2.310 18.487 ( -1.882 0.000 0.000) 1.882 18.489 ( -5.843 0.000 0.000) 5.843 18.680 ( 1.604 0.000 0.000) 1.604 18.743 ( -1.054 0.000 0.000) 1.054 19.040 ( 1.479 0.000 0.000) 1.479 19.040 ( 1.277 0.000 0.000) 1.277 19.109 ( -1.728 0.000 0.000) 1.728 19.118 ( -1.934 0.000 0.000) 1.934 19.172 ( 3.658 0.000 0.000) 3.658 19.191 ( -0.341 0.000 0.000) 0.341 19.232 ( 2.361 0.000 0.000) 2.361 19.258 ( 3.616 0.000 0.000) 3.616 19.398 ( -2.219 0.000 0.000) 2.219 19.455 ( 3.667 0.000 0.000) 3.667 19.466 ( -4.702 0.000 0.000) 4.702 19.598 ( -2.065 0.000 0.000) 2.065 19.766 ( 5.684 0.000 0.000) 5.684 19.964 ( -2.223 0.000 0.000) 2.223 20.325 ( 0.405 0.000 0.000) 0.405 20.392 ( -2.022 0.000 0.000) 2.022 20.448 ( 0.212 0.000 0.000) 0.212 20.487 ( -1.309 0.000 0.000) 1.309 20.500 ( -0.054 0.000 0.000) 0.054 20.515 ( -1.114 0.000 0.000) 1.114 ======================= Grid point 2 (3/36) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -20.822 0.000 0.000) 20.822 0.959 ( 20.822 0.000 0.000) 20.822 1.164 ( -27.022 0.000 0.000) 27.022 1.164 ( 27.022 0.000 0.000) 27.022 1.727 ( -14.865 0.000 0.000) 14.865 1.727 ( 14.865 0.000 0.000) 14.865 1.729 ( -1.070 0.000 0.000) 1.070 1.729 ( 1.070 0.000 0.000) 1.070 1.938 ( -18.202 0.000 0.000) 18.202 1.938 ( 18.202 0.000 0.000) 18.202 2.097 ( -0.510 0.000 0.000) 0.510 2.097 ( 0.510 0.000 0.000) 0.510 2.105 ( -2.164 0.000 0.000) 2.164 2.105 ( 2.164 0.000 0.000) 2.164 2.274 ( -5.513 0.000 0.000) 5.513 2.274 ( 5.513 0.000 0.000) 5.513 2.385 ( -6.932 0.000 0.000) 6.932 2.385 ( 6.932 0.000 0.000) 6.932 2.643 ( -2.591 0.000 0.000) 2.591 2.643 ( 2.591 0.000 0.000) 2.591 2.776 ( -3.608 0.000 0.000) 3.608 2.776 ( 3.608 0.000 0.000) 3.608 3.112 ( -4.809 0.000 0.000) 4.809 3.112 ( 4.809 0.000 0.000) 4.809 3.590 ( -1.451 0.000 0.000) 1.451 3.590 ( 1.451 0.000 0.000) 1.451 3.940 ( -2.709 0.000 0.000) 2.709 3.940 ( 2.709 0.000 0.000) 2.709 5.129 ( -3.857 0.000 0.000) 3.857 5.129 ( 3.857 0.000 0.000) 3.857 5.390 ( -14.811 0.000 0.000) 14.811 5.390 ( 14.811 0.000 0.000) 14.811 5.405 ( -11.874 0.000 0.000) 11.874 5.405 ( 11.874 0.000 0.000) 11.874 5.548 ( -5.951 0.000 0.000) 5.951 5.548 ( 5.951 0.000 0.000) 5.951 5.899 ( -4.549 0.000 0.000) 4.549 5.899 ( 4.549 0.000 0.000) 4.549 6.084 ( -0.840 0.000 0.000) 0.840 6.084 ( 0.840 0.000 0.000) 0.840 6.259 ( -7.313 0.000 0.000) 7.313 6.259 ( 7.313 0.000 0.000) 7.313 6.634 ( -12.318 0.000 0.000) 12.318 6.634 ( 12.318 0.000 0.000) 12.318 6.947 ( -8.664 0.000 0.000) 8.664 6.947 ( 8.664 0.000 0.000) 8.664 6.956 ( -14.356 0.000 0.000) 14.356 6.956 ( 14.356 0.000 0.000) 14.356 7.065 ( -4.095 0.000 0.000) 4.095 7.065 ( 4.095 0.000 0.000) 4.095 7.306 ( -6.174 0.000 0.000) 6.174 7.306 ( 6.174 0.000 0.000) 6.174 7.506 ( -7.253 0.000 0.000) 7.253 7.506 ( 7.253 0.000 0.000) 7.253 7.653 ( -16.178 0.000 0.000) 16.178 7.653 ( 16.178 0.000 0.000) 16.178 7.686 ( -11.799 0.000 0.000) 11.799 7.686 ( 11.799 0.000 0.000) 11.799 7.788 ( -1.060 0.000 0.000) 1.060 7.788 ( 1.060 0.000 0.000) 1.060 7.917 ( -9.363 0.000 0.000) 9.363 7.917 ( 9.363 0.000 0.000) 9.363 8.119 ( -8.560 0.000 0.000) 8.560 8.119 ( 8.560 0.000 0.000) 8.560 8.288 ( -13.747 0.000 0.000) 13.747 8.288 ( 13.747 0.000 0.000) 13.747 8.567 ( -3.115 0.000 0.000) 3.115 8.567 ( 3.115 0.000 0.000) 3.115 8.640 ( -3.169 0.000 0.000) 3.169 8.640 ( 3.169 0.000 0.000) 3.169 8.662 ( -3.691 0.000 0.000) 3.691 8.662 ( 3.691 0.000 0.000) 3.691 8.930 ( -9.800 0.000 0.000) 9.800 8.930 ( 9.800 0.000 0.000) 9.800 8.977 ( -7.878 0.000 0.000) 7.878 8.977 ( 7.878 0.000 0.000) 7.878 9.345 ( -0.012 0.000 0.000) 0.012 9.345 ( 0.012 0.000 0.000) 0.012 9.356 ( -3.084 0.000 0.000) 3.084 9.356 ( 3.084 0.000 0.000) 3.084 9.474 ( -6.821 0.000 0.000) 6.821 9.474 ( 6.821 0.000 0.000) 6.821 9.629 ( -2.425 0.000 0.000) 2.425 9.629 ( 2.425 0.000 0.000) 2.425 9.798 ( -10.286 0.000 0.000) 10.286 9.798 ( 10.286 0.000 0.000) 10.286 9.909 ( -11.379 0.000 0.000) 11.379 9.909 ( 11.379 0.000 0.000) 11.379 10.053 ( -3.571 0.000 0.000) 3.571 10.053 ( 3.571 0.000 0.000) 3.571 10.229 ( -6.740 0.000 0.000) 6.740 10.229 ( 6.740 0.000 0.000) 6.740 10.310 ( -8.377 0.000 0.000) 8.377 10.310 ( 8.377 0.000 0.000) 8.377 10.469 ( -3.719 0.000 0.000) 3.719 10.469 ( 3.719 0.000 0.000) 3.719 10.531 ( -10.043 0.000 0.000) 10.043 10.531 ( 10.043 0.000 0.000) 10.043 10.611 ( -4.080 0.000 0.000) 4.080 10.611 ( 4.080 0.000 0.000) 4.080 10.691 ( -1.365 0.000 0.000) 1.365 10.691 ( 1.365 0.000 0.000) 1.365 10.801 ( -4.345 0.000 0.000) 4.345 10.801 ( 4.345 0.000 0.000) 4.345 10.894 ( -0.237 0.000 0.000) 0.237 10.894 ( 0.237 0.000 0.000) 0.237 10.905 ( -6.952 0.000 0.000) 6.952 10.905 ( 6.952 0.000 0.000) 6.952 11.032 ( -1.049 0.000 0.000) 1.049 11.032 ( 1.049 0.000 0.000) 1.049 11.143 ( -1.380 0.000 0.000) 1.380 11.143 ( 1.380 0.000 0.000) 1.380 11.276 ( -3.232 0.000 0.000) 3.232 11.276 ( 3.232 0.000 0.000) 3.232 11.412 ( -6.588 0.000 0.000) 6.588 11.412 ( 6.588 0.000 0.000) 6.588 11.500 ( -6.307 0.000 0.000) 6.307 11.500 ( 6.307 0.000 0.000) 6.307 11.501 ( -2.228 0.000 0.000) 2.228 11.501 ( 2.228 0.000 0.000) 2.228 11.562 ( -5.981 0.000 0.000) 5.981 11.562 ( 5.981 0.000 0.000) 5.981 11.662 ( -3.366 0.000 0.000) 3.366 11.662 ( 3.366 0.000 0.000) 3.366 11.842 ( -7.724 0.000 0.000) 7.724 11.842 ( 7.724 0.000 0.000) 7.724 11.865 ( -2.408 0.000 0.000) 2.408 11.865 ( 2.408 0.000 0.000) 2.408 11.945 ( -1.638 0.000 0.000) 1.638 11.945 ( 1.638 0.000 0.000) 1.638 11.981 ( -5.275 0.000 0.000) 5.275 11.981 ( 5.275 0.000 0.000) 5.275 12.009 ( -6.802 0.000 0.000) 6.802 12.009 ( 6.802 0.000 0.000) 6.802 12.317 ( -4.095 0.000 0.000) 4.095 12.317 ( 4.095 0.000 0.000) 4.095 12.399 ( -2.106 0.000 0.000) 2.106 12.399 ( 2.106 0.000 0.000) 2.106 12.403 ( -1.654 0.000 0.000) 1.654 12.403 ( 1.654 0.000 0.000) 1.654 12.422 ( -0.581 0.000 0.000) 0.581 12.422 ( 0.581 0.000 0.000) 0.581 12.579 ( -2.388 0.000 0.000) 2.388 12.579 ( 2.388 0.000 0.000) 2.388 12.592 ( -4.880 0.000 0.000) 4.880 12.592 ( 4.880 0.000 0.000) 4.880 12.713 ( -1.215 0.000 0.000) 1.215 12.713 ( 1.215 0.000 0.000) 1.215 12.730 ( -4.237 0.000 0.000) 4.237 12.730 ( 4.237 0.000 0.000) 4.237 12.826 ( -0.956 0.000 0.000) 0.956 12.826 ( 0.956 0.000 0.000) 0.956 12.926 ( -0.911 0.000 0.000) 0.911 12.926 ( 0.911 0.000 0.000) 0.911 13.272 ( -0.473 0.000 0.000) 0.473 13.272 ( 0.473 0.000 0.000) 0.473 13.315 ( -4.080 0.000 0.000) 4.080 13.315 ( 4.080 0.000 0.000) 4.080 13.394 ( -3.451 0.000 0.000) 3.451 13.394 ( 3.451 0.000 0.000) 3.451 13.659 ( -5.948 0.000 0.000) 5.948 13.659 ( 5.948 0.000 0.000) 5.948 13.668 ( -1.084 0.000 0.000) 1.084 13.668 ( 1.084 0.000 0.000) 1.084 13.916 ( -6.120 0.000 0.000) 6.120 13.916 ( 6.120 0.000 0.000) 6.120 14.034 ( -9.719 0.000 0.000) 9.719 14.034 ( 9.719 0.000 0.000) 9.719 14.048 ( -2.316 0.000 0.000) 2.316 14.048 ( 2.316 0.000 0.000) 2.316 14.288 ( -4.091 0.000 0.000) 4.091 14.288 ( 4.091 0.000 0.000) 4.091 14.306 ( -2.724 0.000 0.000) 2.724 14.306 ( 2.724 0.000 0.000) 2.724 14.485 ( -0.936 0.000 0.000) 0.936 14.485 ( 0.936 0.000 0.000) 0.936 14.597 ( -4.829 0.000 0.000) 4.829 14.597 ( 4.829 0.000 0.000) 4.829 14.808 ( -2.263 0.000 0.000) 2.263 14.808 ( 2.263 0.000 0.000) 2.263 14.961 ( -15.583 0.000 0.000) 15.583 14.961 ( 15.583 0.000 0.000) 15.583 14.986 ( -10.384 0.000 0.000) 10.384 14.986 ( 10.384 0.000 0.000) 10.384 15.134 ( -2.822 0.000 0.000) 2.822 15.134 ( 2.822 0.000 0.000) 2.822 15.386 ( -1.317 0.000 0.000) 1.317 15.386 ( 1.317 0.000 0.000) 1.317 15.426 ( -2.826 0.000 0.000) 2.826 15.426 ( 2.826 0.000 0.000) 2.826 15.726 ( -0.802 0.000 0.000) 0.802 15.726 ( 0.802 0.000 0.000) 0.802 15.742 ( -2.449 0.000 0.000) 2.449 15.742 ( 2.449 0.000 0.000) 2.449 15.902 ( -4.536 0.000 0.000) 4.536 15.902 ( 4.536 0.000 0.000) 4.536 16.091 ( -11.687 0.000 0.000) 11.687 16.091 ( 11.687 0.000 0.000) 11.687 16.342 ( -7.589 0.000 0.000) 7.589 16.342 ( 7.589 0.000 0.000) 7.589 16.601 ( -0.023 0.000 0.000) 0.023 16.601 ( 0.023 0.000 0.000) 0.023 16.958 ( -9.491 0.000 0.000) 9.491 16.958 ( 9.491 0.000 0.000) 9.491 17.728 ( -2.805 0.000 0.000) 2.805 17.728 ( 2.805 0.000 0.000) 2.805 17.905 ( -6.146 0.000 0.000) 6.146 17.905 ( 6.146 0.000 0.000) 6.146 17.941 ( -3.203 0.000 0.000) 3.203 17.941 ( 3.203 0.000 0.000) 3.203 18.267 ( -5.598 0.000 0.000) 5.598 18.267 ( 5.598 0.000 0.000) 5.598 18.288 ( -2.025 0.000 0.000) 2.025 18.288 ( 2.025 0.000 0.000) 2.025 18.386 ( -3.526 0.000 0.000) 3.526 18.386 ( 3.526 0.000 0.000) 3.526 18.438 ( -3.055 0.000 0.000) 3.055 18.438 ( 3.055 0.000 0.000) 3.055 18.714 ( -1.819 0.000 0.000) 1.819 18.714 ( 1.819 0.000 0.000) 1.819 19.072 ( -1.991 0.000 0.000) 1.991 19.072 ( 1.991 0.000 0.000) 1.991 19.077 ( -2.243 0.000 0.000) 2.243 19.077 ( 2.243 0.000 0.000) 2.243 19.188 ( -0.068 0.000 0.000) 0.068 19.188 ( 0.068 0.000 0.000) 0.068 19.331 ( -1.654 0.000 0.000) 1.654 19.331 ( 1.654 0.000 0.000) 1.654 19.351 ( -4.887 0.000 0.000) 4.887 19.351 ( 4.887 0.000 0.000) 4.887 19.536 ( -4.248 0.000 0.000) 4.248 19.536 ( 4.248 0.000 0.000) 4.248 19.887 ( -5.915 0.000 0.000) 5.915 19.887 ( 5.915 0.000 0.000) 5.915 20.347 ( -2.064 0.000 0.000) 2.064 20.347 ( 2.064 0.000 0.000) 2.064 20.461 ( -1.179 0.000 0.000) 1.179 20.461 ( 1.179 0.000 0.000) 1.179 20.501 ( -0.279 0.000 0.000) 0.279 20.501 ( 0.279 0.000 0.000) 0.279 ======================= Grid point 6 (4/36) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 19.061 19.061 0.000) 26.956 0.837 ( 20.647 20.647 0.000) 29.200 1.323 ( 30.591 30.591 0.000) 43.263 1.354 ( 2.492 2.492 0.000) 3.525 1.531 ( -6.402 -6.402 0.000) 9.054 1.619 ( -4.391 -4.391 0.000) 6.209 1.691 ( -6.028 -6.028 0.000) 8.524 1.810 ( -1.532 -1.532 0.000) 2.166 1.836 ( 1.289 1.289 0.000) 1.823 1.949 ( -5.518 -5.518 0.000) 7.804 1.995 ( -4.345 -4.345 0.000) 6.144 2.129 ( 4.114 4.114 0.000) 5.818 2.189 ( 3.569 3.569 0.000) 5.047 2.224 ( 1.655 1.655 0.000) 2.341 2.230 ( -2.501 -2.501 0.000) 3.537 2.303 ( 6.514 6.514 0.000) 9.212 2.500 ( -9.562 -9.562 0.000) 13.523 2.508 ( -0.983 -0.983 0.000) 1.390 2.560 ( 0.824 0.824 0.000) 1.165 2.569 ( -4.189 -4.189 0.000) 5.924 2.713 ( -2.789 -2.789 0.000) 3.945 2.820 ( -6.014 -6.014 0.000) 8.506 3.053 ( 1.584 1.584 0.000) 2.240 3.166 ( -4.168 -4.168 0.000) 5.894 3.486 ( -3.110 -3.110 0.000) 4.399 3.557 ( -4.920 -4.920 0.000) 6.958 3.987 ( 5.131 5.131 0.000) 7.256 4.008 ( 2.050 2.050 0.000) 2.900 5.120 ( 3.737 3.737 0.000) 5.284 5.253 ( 0.455 0.455 0.000) 0.643 5.258 ( 6.499 6.499 0.000) 9.192 5.293 ( 8.071 8.071 0.000) 11.414 5.355 ( 5.649 5.649 0.000) 7.989 5.548 ( -5.545 -5.545 0.000) 7.842 5.567 ( 5.133 5.133 0.000) 7.259 5.788 ( -7.457 -7.457 0.000) 10.546 5.803 ( -8.834 -8.834 0.000) 12.493 5.947 ( -7.284 -7.284 0.000) 10.302 6.036 ( -3.549 -3.549 0.000) 5.019 6.146 ( 0.765 0.765 0.000) 1.082 6.284 ( 6.418 6.418 0.000) 9.076 6.376 ( 4.663 4.663 0.000) 6.594 6.459 ( -0.013 -0.013 0.000) 0.018 6.676 ( 8.486 8.486 0.000) 12.000 6.827 ( -8.319 -8.319 0.000) 11.765 6.870 ( 5.638 5.638 0.000) 7.974 6.889 ( 2.787 2.787 0.000) 3.942 7.006 ( -1.048 -1.048 0.000) 1.482 7.042 ( -5.405 -5.405 0.000) 7.643 7.071 ( -2.303 -2.303 0.000) 3.257 7.202 ( -0.478 -0.478 0.000) 0.677 7.311 ( -4.685 -4.685 0.000) 6.626 7.425 ( 10.480 10.480 0.000) 14.821 7.546 ( -7.652 -7.652 0.000) 10.821 7.582 ( -20.007 -20.007 0.000) 28.294 7.590 ( 7.659 7.659 0.000) 10.831 7.607 ( -1.799 -1.799 0.000) 2.544 7.807 ( 9.644 9.644 0.000) 13.638 7.874 ( -6.843 -6.843 0.000) 9.678 7.882 ( 2.403 2.403 0.000) 3.398 7.895 ( 1.573 1.573 0.000) 2.225 7.981 ( 7.107 7.107 0.000) 10.051 8.129 ( -6.576 -6.576 0.000) 9.300 8.133 ( 7.598 7.598 0.000) 10.746 8.314 ( -6.934 -6.934 0.000) 9.806 8.437 ( 2.304 2.304 0.000) 3.259 8.447 ( -3.066 -3.066 0.000) 4.335 8.457 ( 0.423 0.423 0.000) 0.598 8.597 ( -1.919 -1.919 0.000) 2.714 8.683 ( 0.035 0.035 0.000) 0.049 8.694 ( -4.413 -4.413 0.000) 6.241 8.880 ( 6.902 6.902 0.000) 9.761 8.897 ( 5.264 5.264 0.000) 7.445 8.990 ( 2.366 2.366 0.000) 3.346 9.065 ( -5.339 -5.339 0.000) 7.550 9.108 ( -0.851 -0.851 0.000) 1.204 9.151 ( -3.079 -3.079 0.000) 4.354 9.247 ( -1.954 -1.954 0.000) 2.763 9.300 ( -0.282 -0.282 0.000) 0.398 9.385 ( 3.198 3.198 0.000) 4.522 9.452 ( -3.641 -3.641 0.000) 5.150 9.506 ( 0.286 0.286 0.000) 0.404 9.519 ( 4.776 4.776 0.000) 6.754 9.720 ( 0.336 0.336 0.000) 0.475 9.724 ( 1.457 1.457 0.000) 2.061 9.781 ( 14.924 14.924 0.000) 21.106 9.825 ( -2.861 -2.861 0.000) 4.046 9.946 ( 0.768 0.768 0.000) 1.086 9.979 ( -5.066 -5.066 0.000) 7.164 10.102 ( -0.811 -0.811 0.000) 1.147 10.156 ( 2.015 2.015 0.000) 2.850 10.285 ( -7.831 -7.831 0.000) 11.075 10.321 ( -6.115 -6.115 0.000) 8.648 10.341 ( 13.967 13.967 0.000) 19.752 10.427 ( -3.075 -3.075 0.000) 4.348 10.481 ( -2.257 -2.257 0.000) 3.192 10.524 ( 2.193 2.193 0.000) 3.102 10.585 ( -1.180 -1.180 0.000) 1.668 10.624 ( -6.120 -6.120 0.000) 8.655 10.632 ( -7.595 -7.595 0.000) 10.741 10.725 ( -0.735 -0.735 0.000) 1.040 10.730 ( 6.159 6.159 0.000) 8.710 10.752 ( -0.050 -0.050 0.000) 0.071 10.754 ( -0.518 -0.518 0.000) 0.732 10.834 ( -2.520 -2.520 0.000) 3.564 10.982 ( 0.666 0.666 0.000) 0.942 10.984 ( 4.870 4.870 0.000) 6.887 11.003 ( 3.463 3.463 0.000) 4.897 11.011 ( -2.744 -2.744 0.000) 3.880 11.076 ( 2.239 2.239 0.000) 3.167 11.119 ( -1.049 -1.049 0.000) 1.483 11.146 ( 2.528 2.528 0.000) 3.575 11.185 ( 1.262 1.262 0.000) 1.785 11.300 ( -0.999 -0.999 0.000) 1.413 11.380 ( -4.903 -4.903 0.000) 6.934 11.392 ( 1.741 1.741 0.000) 2.462 11.400 ( -0.996 -0.996 0.000) 1.409 11.431 ( -1.785 -1.785 0.000) 2.525 11.457 ( -4.045 -4.045 0.000) 5.720 11.542 ( 0.057 0.057 0.000) 0.080 11.564 ( -5.691 -5.691 0.000) 8.049 11.580 ( -0.225 -0.225 0.000) 0.319 11.638 ( 2.116 2.116 0.000) 2.993 11.741 ( -2.048 -2.048 0.000) 2.897 11.762 ( 0.791 0.791 0.000) 1.118 11.789 ( 2.665 2.665 0.000) 3.769 11.816 ( 11.607 11.607 0.000) 16.415 11.900 ( 1.480 1.480 0.000) 2.094 11.941 ( 0.394 0.394 0.000) 0.558 11.943 ( -0.272 -0.272 0.000) 0.385 11.965 ( 0.170 0.170 0.000) 0.240 12.079 ( -2.923 -2.923 0.000) 4.134 12.086 ( 4.325 4.325 0.000) 6.116 12.099 ( -3.464 -3.464 0.000) 4.899 12.274 ( 1.952 1.952 0.000) 2.761 12.297 ( -1.853 -1.853 0.000) 2.621 12.370 ( -0.459 -0.459 0.000) 0.648 12.385 ( -0.849 -0.849 0.000) 1.201 12.406 ( -3.527 -3.527 0.000) 4.988 12.471 ( 0.788 0.788 0.000) 1.115 12.476 ( 0.454 0.454 0.000) 0.642 12.516 ( 0.371 0.371 0.000) 0.524 12.535 ( -2.724 -2.724 0.000) 3.852 12.540 ( 4.915 4.915 0.000) 6.951 12.543 ( 0.561 0.561 0.000) 0.793 12.565 ( 0.041 0.041 0.000) 0.058 12.597 ( -0.491 -0.491 0.000) 0.695 12.704 ( -0.833 -0.833 0.000) 1.178 12.756 ( -0.085 -0.085 0.000) 0.121 12.760 ( -1.967 -1.967 0.000) 2.781 12.794 ( -3.170 -3.170 0.000) 4.484 12.866 ( 0.286 0.286 0.000) 0.405 12.924 ( -0.200 -0.200 0.000) 0.282 13.067 ( 3.342 3.342 0.000) 4.726 13.202 ( -6.281 -6.281 0.000) 8.883 13.238 ( 0.133 0.133 0.000) 0.188 13.256 ( -3.980 -3.980 0.000) 5.628 13.278 ( 0.454 0.454 0.000) 0.642 13.395 ( -2.099 -2.099 0.000) 2.969 13.399 ( -2.191 -2.191 0.000) 3.099 13.596 ( 3.469 3.469 0.000) 4.907 13.636 ( 4.097 4.097 0.000) 5.794 13.703 ( 4.850 4.850 0.000) 6.859 13.807 ( 4.038 4.038 0.000) 5.710 13.863 ( -1.580 -1.580 0.000) 2.235 13.901 ( 4.562 4.562 0.000) 6.452 13.993 ( -8.409 -8.409 0.000) 11.892 14.032 ( 1.381 1.381 0.000) 1.953 14.058 ( 3.526 3.526 0.000) 4.986 14.246 ( 1.367 1.367 0.000) 1.933 14.284 ( 1.245 1.245 0.000) 1.761 14.300 ( -2.666 -2.666 0.000) 3.770 14.347 ( -1.241 -1.241 0.000) 1.755 14.421 ( -0.389 -0.389 0.000) 0.551 14.453 ( -0.568 -0.568 0.000) 0.803 14.459 ( 0.913 0.913 0.000) 1.291 14.516 ( -1.301 -1.301 0.000) 1.840 14.554 ( 3.129 3.129 0.000) 4.426 14.655 ( -1.474 -1.474 0.000) 2.084 14.792 ( 2.925 2.925 0.000) 4.137 14.820 ( -0.327 -0.327 0.000) 0.462 14.967 ( 8.324 8.324 0.000) 11.772 14.993 ( -14.143 -14.143 0.000) 20.002 15.083 ( 0.373 0.373 0.000) 0.527 15.156 ( -2.726 -2.726 0.000) 3.855 15.300 ( -2.000 -2.000 0.000) 2.828 15.361 ( 0.184 0.184 0.000) 0.260 15.428 ( -2.785 -2.785 0.000) 3.939 15.449 ( -0.794 -0.794 0.000) 1.123 15.475 ( 0.973 0.973 0.000) 1.377 15.649 ( 3.974 3.974 0.000) 5.620 15.649 ( -2.178 -2.178 0.000) 3.081 15.739 ( -5.011 -5.011 0.000) 7.087 15.813 ( 0.261 0.261 0.000) 0.369 15.824 ( 0.344 0.344 0.000) 0.486 15.831 ( 5.772 5.772 0.000) 8.162 15.960 ( 0.262 0.262 0.000) 0.370 16.121 ( -11.643 -11.643 0.000) 16.466 16.341 ( 12.231 12.231 0.000) 17.297 16.554 ( 2.284 2.284 0.000) 3.230 16.602 ( -0.384 -0.384 0.000) 0.543 16.662 ( 2.404 2.404 0.000) 3.399 16.764 ( 1.306 1.306 0.000) 1.847 17.056 ( -6.498 -6.498 0.000) 9.190 17.677 ( 2.550 2.550 0.000) 3.606 17.739 ( -0.131 -0.131 0.000) 0.185 17.858 ( 4.784 4.784 0.000) 6.766 17.908 ( 1.585 1.585 0.000) 2.242 17.961 ( -1.071 -1.071 0.000) 1.515 18.026 ( -1.012 -1.012 0.000) 1.432 18.232 ( 0.085 0.085 0.000) 0.120 18.240 ( 3.854 3.854 0.000) 5.451 18.296 ( -2.178 -2.178 0.000) 3.080 18.336 ( -0.390 -0.390 0.000) 0.552 18.352 ( 0.413 0.413 0.000) 0.585 18.405 ( 2.166 2.166 0.000) 3.063 18.439 ( -3.406 -3.406 0.000) 4.817 18.494 ( -1.038 -1.038 0.000) 1.469 18.689 ( 0.992 0.992 0.000) 1.403 18.734 ( -0.846 -0.846 0.000) 1.197 19.005 ( 0.048 0.048 0.000) 0.068 19.093 ( -1.569 -1.569 0.000) 2.219 19.102 ( 2.430 2.430 0.000) 3.437 19.119 ( -0.901 -0.901 0.000) 1.274 19.187 ( -0.390 -0.390 0.000) 0.552 19.191 ( 1.123 1.123 0.000) 1.589 19.199 ( -0.835 -0.835 0.000) 1.181 19.216 ( -0.544 -0.544 0.000) 0.770 19.329 ( -2.875 -2.875 0.000) 4.066 19.403 ( -3.524 -3.524 0.000) 4.983 19.554 ( 5.714 5.714 0.000) 8.081 19.672 ( 1.123 1.123 0.000) 1.588 19.817 ( 5.182 5.182 0.000) 7.329 19.988 ( -0.137 -0.137 0.000) 0.194 20.330 ( 0.634 0.634 0.000) 0.897 20.393 ( -1.841 -1.841 0.000) 2.604 20.399 ( -0.477 -0.477 0.000) 0.675 20.462 ( -2.073 -2.073 0.000) 2.932 20.500 ( -0.270 -0.270 0.000) 0.381 20.506 ( -0.974 -0.974 0.000) 1.378 ======================= Grid point 7 (5/36) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -13.102 12.605 0.000) 18.181 1.116 ( 13.102 12.605 0.000) 18.181 1.299 ( -18.604 13.153 0.000) 22.784 1.299 ( 18.604 13.153 0.000) 22.784 1.619 ( -6.449 -6.756 0.000) 9.340 1.619 ( 6.449 -6.756 0.000) 9.340 1.805 ( -3.957 0.435 0.000) 3.981 1.805 ( 3.957 0.435 0.000) 3.981 1.918 ( -5.395 -7.966 0.000) 9.620 1.918 ( 5.395 -7.966 0.000) 9.620 1.971 ( -23.757 2.123 0.000) 23.852 1.971 ( 23.757 2.123 0.000) 23.852 2.202 ( -2.132 5.181 0.000) 5.603 2.202 ( 2.132 5.181 0.000) 5.603 2.284 ( -4.899 1.013 0.000) 5.003 2.284 ( 4.899 1.013 0.000) 5.003 2.430 ( -5.643 3.467 0.000) 6.623 2.430 ( 5.643 3.467 0.000) 6.623 2.593 ( -0.344 -5.621 0.000) 5.631 2.593 ( 0.344 -5.621 0.000) 5.631 2.699 ( -3.748 -6.782 0.000) 7.749 2.699 ( 3.748 -6.782 0.000) 7.749 3.092 ( -2.983 -1.597 0.000) 3.384 3.092 ( 2.983 -1.597 0.000) 3.384 3.482 ( -2.331 -6.856 0.000) 7.241 3.482 ( 2.331 -6.856 0.000) 7.241 4.031 ( -0.028 5.215 0.000) 5.215 4.031 ( 0.028 5.215 0.000) 5.215 5.196 ( -4.163 5.382 0.000) 6.804 5.196 ( 4.163 5.382 0.000) 6.804 5.410 ( -8.458 0.431 0.000) 8.469 5.410 ( 8.458 0.431 0.000) 8.469 5.515 ( -7.884 10.361 0.000) 13.019 5.515 ( 7.884 10.361 0.000) 13.019 5.549 ( -2.172 2.339 0.000) 3.192 5.549 ( 2.172 2.339 0.000) 3.192 5.784 ( -7.875 -7.848 0.000) 11.118 5.784 ( 7.875 -7.848 0.000) 11.118 6.089 ( -5.335 -3.052 0.000) 6.147 6.089 ( 5.335 -3.052 0.000) 6.147 6.377 ( -5.923 9.938 0.000) 11.569 6.377 ( 5.923 9.938 0.000) 11.569 6.579 ( -12.617 -3.805 0.000) 13.178 6.579 ( 12.617 -3.805 0.000) 13.178 6.912 ( -8.185 -3.336 0.000) 8.839 6.912 ( 8.185 -3.336 0.000) 8.839 7.014 ( -6.591 1.510 0.000) 6.762 7.014 ( 6.591 1.510 0.000) 6.762 7.032 ( -11.053 1.006 0.000) 11.099 7.032 ( 11.053 1.006 0.000) 11.099 7.152 ( -17.351 -14.212 0.000) 22.429 7.152 ( 17.351 -14.212 0.000) 22.429 7.381 ( -6.405 -8.260 0.000) 10.452 7.381 ( 6.405 -8.260 0.000) 10.452 7.563 ( -4.544 0.749 0.000) 4.605 7.563 ( 4.544 0.749 0.000) 4.605 7.726 ( -6.295 -1.174 0.000) 6.404 7.726 ( 6.295 -1.174 0.000) 6.404 7.914 ( -0.798 2.649 0.000) 2.766 7.914 ( 0.798 2.649 0.000) 2.766 7.987 ( -8.169 6.225 0.000) 10.270 7.987 ( 8.169 6.225 0.000) 10.270 8.160 ( -8.899 4.384 0.000) 9.921 8.160 ( 8.899 4.384 0.000) 9.921 8.308 ( -9.516 2.580 0.000) 9.860 8.308 ( 9.516 2.580 0.000) 9.860 8.534 ( -5.637 -2.198 0.000) 6.050 8.534 ( 5.637 -2.198 0.000) 6.050 8.559 ( -6.912 -6.717 0.000) 9.639 8.559 ( 6.912 -6.717 0.000) 9.639 8.755 ( -8.962 9.708 0.000) 13.212 8.755 ( 8.962 9.708 0.000) 13.212 8.994 ( -3.402 5.776 0.000) 6.703 8.994 ( 3.402 5.776 0.000) 6.703 9.041 ( -7.299 4.009 0.000) 8.327 9.041 ( 7.299 4.009 0.000) 8.327 9.226 ( -1.902 -6.223 0.000) 6.507 9.226 ( 1.902 -6.223 0.000) 6.507 9.362 ( -5.581 -9.505 0.000) 11.022 9.362 ( 5.581 -9.505 0.000) 11.022 9.462 ( -4.283 0.415 0.000) 4.303 9.462 ( 4.283 0.415 0.000) 4.303 9.649 ( -6.836 5.694 0.000) 8.897 9.649 ( 6.836 5.694 0.000) 8.897 9.756 ( -0.809 -0.020 0.000) 0.809 9.756 ( 0.809 -0.020 0.000) 0.809 9.966 ( -0.987 -2.685 0.000) 2.860 9.966 ( 0.987 -2.685 0.000) 2.860 10.045 ( -9.733 4.951 0.000) 10.920 10.045 ( 9.733 4.951 0.000) 10.920 10.131 ( -3.939 -7.966 0.000) 8.886 10.131 ( 3.939 -7.966 0.000) 8.886 10.323 ( -5.831 -1.555 0.000) 6.035 10.323 ( 5.831 -1.555 0.000) 6.035 10.498 ( -3.444 -1.139 0.000) 3.628 10.498 ( 3.444 -1.139 0.000) 3.628 10.550 ( -0.692 -4.682 0.000) 4.733 10.550 ( 0.692 -4.682 0.000) 4.733 10.566 ( -4.610 5.650 0.000) 7.292 10.566 ( 4.610 5.650 0.000) 7.292 10.714 ( -1.923 1.153 0.000) 2.242 10.714 ( 1.923 1.153 0.000) 2.242 10.791 ( -2.820 -4.296 0.000) 5.138 10.791 ( 2.820 -4.296 0.000) 5.138 10.856 ( -7.071 6.734 0.000) 9.764 10.856 ( 7.071 6.734 0.000) 9.764 11.015 ( -3.611 3.332 0.000) 4.913 11.015 ( 3.611 3.332 0.000) 4.913 11.060 ( -2.452 4.943 0.000) 5.518 11.060 ( 2.452 4.943 0.000) 5.518 11.162 ( -3.404 0.924 0.000) 3.527 11.162 ( 3.404 0.924 0.000) 3.527 11.272 ( -3.329 -2.087 0.000) 3.929 11.272 ( 3.329 -2.087 0.000) 3.929 11.358 ( -4.426 -2.900 0.000) 5.291 11.358 ( 4.426 -2.900 0.000) 5.291 11.401 ( -8.591 -8.275 0.000) 11.928 11.401 ( 8.591 -8.275 0.000) 11.928 11.453 ( -0.539 -4.126 0.000) 4.161 11.453 ( 0.539 -4.126 0.000) 4.161 11.553 ( -2.227 1.065 0.000) 2.469 11.553 ( 2.227 1.065 0.000) 2.469 11.691 ( -2.916 1.976 0.000) 3.522 11.691 ( 2.916 1.976 0.000) 3.522 11.814 ( -2.108 -2.059 0.000) 2.947 11.814 ( 2.108 -2.059 0.000) 2.947 11.920 ( -0.292 -0.912 0.000) 0.958 11.920 ( 0.292 -0.912 0.000) 0.958 11.948 ( -1.073 -2.066 0.000) 2.328 11.948 ( 1.073 -2.066 0.000) 2.328 12.014 ( -6.279 9.427 0.000) 11.327 12.014 ( 6.279 9.427 0.000) 11.327 12.068 ( -2.748 4.412 0.000) 5.198 12.068 ( 2.748 4.412 0.000) 5.198 12.320 ( -2.286 0.926 0.000) 2.467 12.320 ( 2.286 0.926 0.000) 2.467 12.361 ( -2.649 -4.241 0.000) 5.000 12.361 ( 2.649 -4.241 0.000) 5.000 12.392 ( -3.012 -1.150 0.000) 3.224 12.392 ( 3.012 -1.150 0.000) 3.224 12.502 ( -1.308 5.086 0.000) 5.251 12.502 ( 1.308 5.086 0.000) 5.251 12.515 ( -1.340 -2.078 0.000) 2.472 12.515 ( 1.340 -2.078 0.000) 2.472 12.590 ( -0.243 -2.139 0.000) 2.153 12.590 ( 0.243 -2.139 0.000) 2.153 12.671 ( -3.599 -1.841 0.000) 4.043 12.671 ( 3.599 -1.841 0.000) 4.043 12.743 ( -0.336 -0.864 0.000) 0.927 12.743 ( 0.336 -0.864 0.000) 0.927 12.805 ( -5.604 1.155 0.000) 5.722 12.805 ( 5.604 1.155 0.000) 5.722 12.987 ( -7.065 1.753 0.000) 7.279 12.987 ( 7.065 1.753 0.000) 7.279 13.197 ( -2.598 -6.126 0.000) 6.654 13.197 ( 2.598 -6.126 0.000) 6.654 13.268 ( -1.939 -2.479 0.000) 3.148 13.268 ( 1.939 -2.479 0.000) 3.148 13.373 ( -0.399 -1.317 0.000) 1.376 13.373 ( 0.399 -1.317 0.000) 1.376 13.664 ( -2.460 3.846 0.000) 4.566 13.664 ( 2.460 3.846 0.000) 4.566 13.782 ( -3.067 3.893 0.000) 4.956 13.782 ( 3.067 3.893 0.000) 4.956 13.862 ( -4.101 -4.906 0.000) 6.394 13.862 ( 4.101 -4.906 0.000) 6.394 14.047 ( -1.841 6.594 0.000) 6.846 14.047 ( 1.841 6.594 0.000) 6.846 14.159 ( -9.920 5.828 0.000) 11.506 14.159 ( 9.920 5.828 0.000) 11.506 14.302 ( -4.232 1.512 0.000) 4.494 14.302 ( 4.232 1.512 0.000) 4.494 14.318 ( -2.853 1.096 0.000) 3.056 14.318 ( 2.853 1.096 0.000) 3.056 14.455 ( -0.188 -2.267 0.000) 2.275 14.455 ( 0.188 -2.267 0.000) 2.275 14.601 ( -1.449 -1.308 0.000) 1.953 14.601 ( 1.449 -1.308 0.000) 1.953 14.724 ( -12.568 -10.718 0.000) 16.517 14.724 ( 12.568 -10.718 0.000) 16.517 14.816 ( -0.651 -1.296 0.000) 1.450 14.816 ( 0.651 -1.296 0.000) 1.450 15.100 ( -3.045 -2.331 0.000) 3.835 15.100 ( 3.045 -2.331 0.000) 3.835 15.174 ( -9.797 8.284 0.000) 12.830 15.174 ( 9.797 8.284 0.000) 12.830 15.381 ( -1.623 -1.241 0.000) 2.044 15.381 ( 1.623 -1.241 0.000) 2.044 15.444 ( -0.664 3.081 0.000) 3.152 15.444 ( 0.664 3.081 0.000) 3.152 15.647 ( -1.536 -3.723 0.000) 4.028 15.647 ( 1.536 -3.723 0.000) 4.028 15.798 ( -3.368 1.398 0.000) 3.647 15.798 ( 3.368 1.398 0.000) 3.647 15.898 ( -9.316 -10.602 0.000) 14.114 15.898 ( 9.316 -10.602 0.000) 14.114 15.933 ( -2.667 1.232 0.000) 2.938 15.933 ( 2.667 1.232 0.000) 2.938 16.534 ( -6.564 11.619 0.000) 13.345 16.534 ( 6.564 11.619 0.000) 13.345 16.604 ( -1.847 0.959 0.000) 2.082 16.604 ( 1.847 0.959 0.000) 2.082 16.904 ( -9.057 -5.592 0.000) 10.644 16.904 ( 9.057 -5.592 0.000) 10.644 17.726 ( -1.824 0.657 0.000) 1.939 17.726 ( 1.824 0.657 0.000) 1.939 17.932 ( -2.089 0.754 0.000) 2.221 17.932 ( 2.089 0.754 0.000) 2.221 17.967 ( -4.722 3.133 0.000) 5.667 17.967 ( 4.722 3.133 0.000) 5.667 18.251 ( -2.347 -1.397 0.000) 2.731 18.251 ( 2.347 -1.397 0.000) 2.731 18.309 ( -2.685 1.453 0.000) 3.053 18.309 ( 2.685 1.453 0.000) 3.053 18.376 ( -2.410 -0.859 0.000) 2.559 18.376 ( 2.410 -0.859 0.000) 2.559 18.455 ( -2.732 1.399 0.000) 3.069 18.455 ( 2.732 1.399 0.000) 3.069 18.713 ( -1.320 -0.132 0.000) 1.327 18.713 ( 1.320 -0.132 0.000) 1.327 19.038 ( -2.987 -0.736 0.000) 3.077 19.038 ( 2.987 -0.736 0.000) 3.077 19.121 ( -0.253 1.739 0.000) 1.757 19.121 ( 0.253 1.739 0.000) 1.757 19.177 ( -0.270 -1.697 0.000) 1.718 19.177 ( 0.270 -1.697 0.000) 1.718 19.226 ( -1.354 -5.909 0.000) 6.062 19.226 ( 1.354 -5.909 0.000) 6.062 19.330 ( -3.362 -0.598 0.000) 3.415 19.330 ( 3.362 -0.598 0.000) 3.415 19.643 ( -3.497 5.258 0.000) 6.315 19.643 ( 3.497 5.258 0.000) 6.315 19.929 ( -5.452 3.721 0.000) 6.600 19.929 ( 5.452 3.721 0.000) 6.600 20.352 ( -1.722 0.541 0.000) 1.805 20.352 ( 1.722 0.541 0.000) 1.805 20.422 ( -1.884 -3.005 0.000) 3.547 20.422 ( 1.884 -3.005 0.000) 3.547 20.495 ( -0.015 -0.800 0.000) 0.800 20.495 ( 0.015 -0.800 0.000) 0.800 ======================= Grid point 14 (6/36) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.000 0.000 0.000) 0.000 1.288 ( 0.000 0.000 0.000) 0.000 1.490 ( 0.000 0.000 0.000) 0.000 1.490 ( 0.000 0.000 0.000) 0.000 1.549 ( 0.000 0.000 0.000) 0.000 1.549 ( 0.000 0.000 0.000) 0.000 1.701 ( -0.000 -0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 1.811 ( 0.000 0.000 0.000) 0.000 2.088 ( -0.000 -0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.470 ( -0.000 -0.000 0.000) 0.000 2.470 ( 0.000 0.000 0.000) 0.000 2.471 ( 0.000 0.000 0.000) 0.000 2.471 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 0.000) 0.000 3.073 ( 0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 5.258 ( 0.000 0.000 0.000) 0.000 5.258 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.571 ( -0.000 -0.000 0.000) 0.000 5.571 ( 0.000 0.000 0.000) 0.000 5.654 ( -0.000 -0.000 0.000) 0.000 5.654 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 5.755 ( 0.000 0.000 0.000) 0.000 5.982 ( -0.000 -0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.614 ( 0.000 0.000 0.000) 0.000 6.614 ( 0.000 0.000 0.000) 0.000 6.792 ( -0.000 -0.000 0.000) 0.000 6.792 ( 0.000 0.000 0.000) 0.000 6.986 ( 0.000 0.000 0.000) 0.000 6.986 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.187 ( 0.000 0.000 0.000) 0.000 7.206 ( -0.000 -0.000 0.000) 0.000 7.206 ( 0.000 0.000 0.000) 0.000 7.576 ( 0.000 0.000 0.000) 0.000 7.576 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 7.961 ( -0.000 -0.000 0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 8.018 ( 0.000 0.000 0.000) 0.000 8.018 ( 0.000 0.000 0.000) 0.000 8.212 ( 0.000 0.000 0.000) 0.000 8.212 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.467 ( 0.000 0.000 0.000) 0.000 8.467 ( 0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 8.968 ( 0.000 0.000 0.000) 0.000 8.968 ( 0.000 0.000 0.000) 0.000 9.051 ( -0.000 -0.000 0.000) 0.000 9.051 ( 0.000 0.000 0.000) 0.000 9.075 ( 0.000 0.000 0.000) 0.000 9.075 ( 0.000 0.000 0.000) 0.000 9.077 ( -0.000 -0.000 0.000) 0.000 9.077 ( 0.000 0.000 0.000) 0.000 9.245 ( 0.000 0.000 0.000) 0.000 9.245 ( 0.000 0.000 0.000) 0.000 9.472 ( 0.000 0.000 0.000) 0.000 9.472 ( 0.000 0.000 0.000) 0.000 9.748 ( -0.000 -0.000 0.000) 0.000 9.748 ( 0.000 0.000 0.000) 0.000 9.759 ( 0.000 0.000 0.000) 0.000 9.759 ( 0.000 0.000 0.000) 0.000 9.947 ( 0.000 0.000 0.000) 0.000 9.947 ( 0.000 0.000 0.000) 0.000 9.967 ( -0.000 -0.000 0.000) 0.000 9.967 ( -0.000 -0.000 0.000) 0.000 10.169 ( 0.000 0.000 0.000) 0.000 10.169 ( 0.000 0.000 0.000) 0.000 10.276 ( 0.000 0.000 0.000) 0.000 10.276 ( 0.000 0.000 0.000) 0.000 10.461 ( 0.000 0.000 0.000) 0.000 10.461 ( 0.000 0.000 0.000) 0.000 10.484 ( 0.000 0.000 0.000) 0.000 10.484 ( 0.000 0.000 0.000) 0.000 10.664 ( 0.000 0.000 0.000) 0.000 10.664 ( 0.000 0.000 0.000) 0.000 10.703 ( -0.000 -0.000 0.000) 0.000 10.703 ( 0.000 0.000 0.000) 0.000 10.758 ( 0.000 0.000 0.000) 0.000 10.758 ( 0.000 0.000 0.000) 0.000 10.957 ( 0.000 0.000 0.000) 0.000 10.957 ( 0.000 0.000 0.000) 0.000 11.058 ( 0.000 0.000 0.000) 0.000 11.058 ( 0.000 0.000 0.000) 0.000 11.149 ( 0.000 0.000 0.000) 0.000 11.149 ( 0.000 0.000 0.000) 0.000 11.158 ( -0.000 -0.000 0.000) 0.000 11.158 ( 0.000 0.000 0.000) 0.000 11.217 ( -0.000 -0.000 0.000) 0.000 11.217 ( 0.000 0.000 0.000) 0.000 11.278 ( 0.000 0.000 0.000) 0.000 11.278 ( 0.000 0.000 0.000) 0.000 11.334 ( 0.000 0.000 0.000) 0.000 11.334 ( 0.000 0.000 0.000) 0.000 11.425 ( 0.000 0.000 0.000) 0.000 11.425 ( 0.000 0.000 0.000) 0.000 11.557 ( 0.000 0.000 0.000) 0.000 11.557 ( 0.000 0.000 0.000) 0.000 11.721 ( 0.000 0.000 0.000) 0.000 11.721 ( 0.000 0.000 0.000) 0.000 11.792 ( -0.000 -0.000 0.000) 0.000 11.792 ( 0.000 0.000 0.000) 0.000 11.885 ( 0.000 0.000 0.000) 0.000 11.885 ( 0.000 0.000 0.000) 0.000 11.934 ( 0.000 0.000 0.000) 0.000 11.934 ( 0.000 0.000 0.000) 0.000 12.099 ( 0.000 0.000 0.000) 0.000 12.099 ( 0.000 0.000 0.000) 0.000 12.194 ( 0.000 0.000 0.000) 0.000 12.194 ( 0.000 0.000 0.000) 0.000 12.250 ( -0.000 -0.000 0.000) 0.000 12.250 ( 0.000 0.000 0.000) 0.000 12.338 ( 0.000 0.000 0.000) 0.000 12.338 ( 0.000 0.000 0.000) 0.000 12.376 ( -0.000 -0.000 0.000) 0.000 12.376 ( 0.000 0.000 0.000) 0.000 12.488 ( 0.000 0.000 0.000) 0.000 12.488 ( 0.000 0.000 0.000) 0.000 12.563 ( 0.000 0.000 0.000) 0.000 12.563 ( 0.000 0.000 0.000) 0.000 12.564 ( 0.000 0.000 0.000) 0.000 12.564 ( 0.000 0.000 0.000) 0.000 12.672 ( 0.000 0.000 0.000) 0.000 12.672 ( 0.000 0.000 0.000) 0.000 12.720 ( -0.000 -0.000 0.000) 0.000 12.720 ( 0.000 0.000 0.000) 0.000 12.865 ( 0.000 0.000 0.000) 0.000 12.865 ( 0.000 0.000 0.000) 0.000 12.924 ( -0.000 -0.000 0.000) 0.000 12.924 ( 0.000 0.000 0.000) 0.000 13.170 ( -0.000 -0.000 0.000) 0.000 13.170 ( 0.000 0.000 0.000) 0.000 13.229 ( 0.000 0.000 0.000) 0.000 13.229 ( 0.000 0.000 0.000) 0.000 13.362 ( 0.000 0.000 0.000) 0.000 13.362 ( 0.000 0.000 0.000) 0.000 13.740 ( -0.000 -0.000 0.000) 0.000 13.740 ( 0.000 0.000 0.000) 0.000 13.771 ( -0.000 -0.000 0.000) 0.000 13.771 ( 0.000 0.000 0.000) 0.000 13.815 ( 0.000 0.000 0.000) 0.000 13.815 ( 0.000 0.000 0.000) 0.000 14.145 ( 0.000 0.000 0.000) 0.000 14.145 ( 0.000 0.000 0.000) 0.000 14.237 ( -0.000 -0.000 0.000) 0.000 14.237 ( 0.000 0.000 0.000) 0.000 14.321 ( -0.000 -0.000 0.000) 0.000 14.321 ( 0.000 0.000 0.000) 0.000 14.367 ( 0.000 0.000 0.000) 0.000 14.367 ( 0.000 0.000 0.000) 0.000 14.429 ( 0.000 0.000 0.000) 0.000 14.429 ( 0.000 0.000 0.000) 0.000 14.477 ( -0.000 -0.000 0.000) 0.000 14.477 ( 0.000 0.000 0.000) 0.000 14.650 ( 0.000 0.000 0.000) 0.000 14.650 ( 0.000 0.000 0.000) 0.000 14.807 ( 0.000 0.000 0.000) 0.000 14.807 ( 0.000 0.000 0.000) 0.000 15.073 ( 0.000 0.000 0.000) 0.000 15.073 ( 0.000 0.000 0.000) 0.000 15.256 ( 0.000 0.000 0.000) 0.000 15.256 ( 0.000 0.000 0.000) 0.000 15.365 ( 0.000 0.000 0.000) 0.000 15.365 ( 0.000 0.000 0.000) 0.000 15.511 ( 0.000 0.000 0.000) 0.000 15.511 ( 0.000 0.000 0.000) 0.000 15.606 ( 0.000 0.000 0.000) 0.000 15.606 ( 0.000 0.000 0.000) 0.000 15.740 ( 0.000 0.000 0.000) 0.000 15.740 ( 0.000 0.000 0.000) 0.000 15.822 ( 0.000 0.000 0.000) 0.000 15.822 ( 0.000 0.000 0.000) 0.000 15.961 ( 0.000 0.000 0.000) 0.000 15.961 ( 0.000 0.000 0.000) 0.000 16.593 ( 0.000 0.000 0.000) 0.000 16.593 ( 0.000 0.000 0.000) 0.000 16.733 ( -0.000 -0.000 0.000) 0.000 16.733 ( -0.000 -0.000 0.000) 0.000 16.780 ( 0.000 0.000 0.000) 0.000 16.780 ( 0.000 0.000 0.000) 0.000 17.739 ( 0.000 0.000 0.000) 0.000 17.739 ( 0.000 0.000 0.000) 0.000 17.937 ( 0.000 0.000 0.000) 0.000 17.937 ( 0.000 0.000 0.000) 0.000 18.008 ( 0.000 0.000 0.000) 0.000 18.008 ( 0.000 0.000 0.000) 0.000 18.231 ( 0.000 0.000 0.000) 0.000 18.231 ( 0.000 0.000 0.000) 0.000 18.325 ( 0.000 0.000 0.000) 0.000 18.325 ( 0.000 0.000 0.000) 0.000 18.365 ( -0.000 -0.000 0.000) 0.000 18.365 ( 0.000 0.000 0.000) 0.000 18.472 ( 0.000 0.000 0.000) 0.000 18.472 ( 0.000 0.000 0.000) 0.000 18.711 ( 0.000 0.000 0.000) 0.000 18.711 ( 0.000 0.000 0.000) 0.000 19.046 ( 0.000 0.000 0.000) 0.000 19.046 ( 0.000 0.000 0.000) 0.000 19.099 ( 0.000 0.000 0.000) 0.000 19.099 ( 0.000 0.000 0.000) 0.000 19.177 ( -0.000 -0.000 0.000) 0.000 19.177 ( 0.000 0.000 0.000) 0.000 19.177 ( 0.000 0.000 0.000) 0.000 19.177 ( 0.000 0.000 0.000) 0.000 19.322 ( 0.000 0.000 0.000) 0.000 19.322 ( 0.000 0.000 0.000) 0.000 19.690 ( 0.000 0.000 0.000) 0.000 19.690 ( 0.000 0.000 0.000) 0.000 19.975 ( 0.000 0.000 0.000) 0.000 19.975 ( 0.000 0.000 0.000) 0.000 20.360 ( 0.000 0.000 0.000) 0.000 20.360 ( 0.000 0.000 0.000) 0.000 20.388 ( 0.000 0.000 0.000) 0.000 20.388 ( 0.000 0.000 0.000) 0.000 20.483 ( 0.000 0.000 0.000) 0.000 20.483 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 25 (7/36) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( 0.000 0.000 18.689) 18.689 0.402 ( 0.000 0.000 18.689) 18.689 0.984 ( 0.000 0.000 43.858) 43.858 1.363 ( -0.000 0.000 -0.458) 0.458 1.712 ( 0.000 0.000 0.786) 0.786 1.712 ( 0.000 0.000 0.786) 0.786 1.824 ( -0.000 0.000 7.047) 7.047 1.824 ( 0.000 0.000 7.047) 7.047 1.840 ( 0.000 0.000 -0.504) 0.504 2.086 ( -0.000 0.000 -3.560) 3.560 2.101 ( 0.000 0.000 5.186) 5.186 2.106 ( -0.000 -0.000 4.562) 4.562 2.106 ( 0.000 0.000 4.562) 4.562 2.148 ( 0.000 0.000 3.011) 3.011 2.187 ( 0.000 0.000 1.053) 1.053 2.323 ( -0.000 0.000 5.595) 5.595 2.528 ( -0.000 0.000 -0.144) 0.144 2.528 ( 0.000 0.000 -0.144) 0.144 2.704 ( -0.000 0.000 1.586) 1.586 2.723 ( -0.000 0.000 -3.300) 3.300 2.723 ( 0.000 0.000 -3.300) 3.300 2.905 ( -0.000 0.000 -2.882) 2.882 2.971 ( -0.000 0.000 0.788) 0.788 3.266 ( -0.000 -0.000 -0.308) 0.308 3.751 ( 0.000 0.000 17.748) 17.748 3.751 ( 0.000 -0.000 17.748) 17.748 3.820 ( 0.000 0.000 17.688) 17.688 4.581 ( 0.000 0.000 24.577) 24.577 5.065 ( -0.000 0.000 -0.560) 0.560 5.165 ( 0.000 0.000 7.817) 7.817 5.165 ( -0.000 0.000 7.817) 7.817 5.242 ( -0.000 0.000 1.170) 1.170 5.242 ( 0.000 0.000 1.170) 1.170 5.482 ( 0.000 0.000 24.954) 24.954 5.762 ( 0.000 0.000 6.865) 6.865 6.076 ( 0.000 0.000 0.749) 0.749 6.076 ( -0.000 0.000 0.749) 0.749 6.117 ( 0.000 0.000 3.514) 3.514 6.265 ( 0.000 0.000 7.635) 7.635 6.272 ( 0.000 0.000 12.861) 12.861 6.339 ( 0.000 0.000 12.462) 12.462 6.339 ( -0.000 -0.000 12.462) 12.462 6.369 ( 0.000 0.000 -1.417) 1.417 6.575 ( -0.000 0.000 6.020) 6.020 6.791 ( 0.000 0.000 9.648) 9.648 6.865 ( 0.000 0.000 -2.057) 2.057 6.865 ( 0.000 -0.000 -2.057) 2.057 7.070 ( 0.000 0.000 4.332) 4.332 7.070 ( 0.000 0.000 4.332) 4.332 7.177 ( -0.000 -0.000 -3.371) 3.371 7.179 ( 0.000 -0.000 8.007) 8.007 7.179 ( 0.000 -0.000 8.007) 8.007 7.416 ( -0.000 -0.000 2.852) 2.852 7.569 ( 0.000 0.000 8.281) 8.281 7.640 ( 0.000 0.000 -2.135) 2.135 7.640 ( -0.000 -0.000 -2.135) 2.135 7.712 ( 0.000 0.000 -7.573) 7.573 7.712 ( -0.000 -0.000 -7.573) 7.573 7.811 ( 0.000 0.000 2.604) 2.604 7.850 ( 0.000 0.000 12.439) 12.439 7.946 ( 0.000 0.000 0.422) 0.422 8.025 ( 0.000 0.000 9.626) 9.626 8.067 ( 0.000 0.000 -0.711) 0.711 8.415 ( -0.000 0.000 6.960) 6.960 8.415 ( 0.000 0.000 6.960) 6.960 8.548 ( 0.000 0.000 -8.734) 8.734 8.548 ( 0.000 0.000 -8.734) 8.734 8.557 ( 0.000 0.000 2.625) 2.625 8.572 ( 0.000 0.000 2.987) 2.987 8.639 ( 0.000 0.000 1.047) 1.047 8.714 ( 0.000 0.000 -0.910) 0.910 8.714 ( 0.000 -0.000 -0.910) 0.910 8.821 ( -0.000 0.000 -2.149) 2.149 8.984 ( 0.000 0.000 3.797) 3.797 9.185 ( 0.000 0.000 -5.249) 5.249 9.185 ( 0.000 0.000 -11.680) 11.680 9.211 ( -0.000 0.000 6.143) 6.143 9.211 ( -0.000 0.000 6.143) 6.143 9.250 ( -0.000 0.000 -6.455) 6.455 9.291 ( 0.000 0.000 0.381) 0.381 9.291 ( 0.000 0.000 0.381) 0.381 9.502 ( 0.000 0.000 0.072) 0.072 9.521 ( 0.000 0.000 7.066) 7.066 9.607 ( -0.000 -0.000 9.342) 9.342 9.629 ( 0.000 0.000 -7.098) 7.098 9.629 ( 0.000 -0.000 -7.098) 7.098 9.858 ( -0.000 0.000 -1.379) 1.379 9.971 ( 0.000 0.000 5.015) 5.015 9.971 ( -0.000 0.000 5.015) 5.015 10.074 ( -0.000 0.000 5.214) 5.214 10.186 ( 0.000 0.000 0.277) 0.277 10.186 ( 0.000 0.000 0.277) 0.277 10.434 ( -0.000 -0.000 -3.183) 3.183 10.434 ( 0.000 0.000 -3.183) 3.183 10.449 ( 0.000 0.000 1.968) 1.968 10.512 ( -0.000 0.000 -9.594) 9.594 10.580 ( 0.000 0.000 6.272) 6.272 10.603 ( 0.000 0.000 0.700) 0.700 10.603 ( -0.000 0.000 0.700) 0.700 10.792 ( 0.000 0.000 3.112) 3.112 10.792 ( -0.000 -0.000 3.112) 3.112 10.792 ( 0.000 0.000 2.166) 2.166 10.798 ( 0.000 0.000 1.586) 1.586 10.823 ( 0.000 0.000 1.681) 1.681 10.857 ( 0.000 -0.000 -5.756) 5.756 10.960 ( 0.000 0.000 -3.381) 3.381 10.960 ( -0.000 0.000 -3.381) 3.381 10.975 ( -0.000 -0.000 2.876) 2.876 11.026 ( -0.000 -0.000 10.321) 10.321 11.142 ( -0.000 -0.000 10.729) 10.729 11.156 ( 0.000 0.000 5.979) 5.979 11.227 ( 0.000 0.000 -0.203) 0.203 11.227 ( 0.000 0.000 -0.203) 0.203 11.289 ( -0.000 -0.000 -1.637) 1.637 11.338 ( -0.000 -0.000 -0.120) 0.120 11.338 ( 0.000 0.000 -0.120) 0.120 11.398 ( 0.000 0.000 -1.555) 1.555 11.425 ( -0.000 0.000 -10.014) 10.014 11.550 ( 0.000 0.000 1.016) 1.016 11.550 ( 0.000 0.000 1.016) 1.016 11.577 ( -0.000 -0.000 7.441) 7.441 11.600 ( 0.000 0.000 -1.536) 1.536 11.636 ( 0.000 0.000 3.908) 3.908 11.636 ( -0.000 0.000 3.908) 3.908 11.755 ( 0.000 0.000 3.364) 3.364 11.820 ( -0.000 0.000 3.090) 3.090 11.820 ( 0.000 0.000 3.090) 3.090 11.857 ( 0.000 0.000 1.954) 1.954 11.905 ( -0.000 0.000 -17.753) 17.753 11.963 ( -0.000 0.000 0.060) 0.060 11.963 ( 0.000 0.000 0.060) 0.060 11.969 ( -0.000 0.000 4.947) 4.947 12.011 ( 0.000 0.000 2.274) 2.274 12.308 ( -0.000 0.000 6.491) 6.491 12.356 ( -0.000 0.000 2.605) 2.605 12.356 ( 0.000 0.000 2.605) 2.605 12.420 ( 0.000 0.000 -2.335) 2.335 12.441 ( 0.000 0.000 7.788) 7.788 12.462 ( 0.000 0.000 3.578) 3.578 12.462 ( 0.000 0.000 3.578) 3.578 12.496 ( 0.000 0.000 11.415) 11.415 12.534 ( 0.000 0.000 3.086) 3.086 12.563 ( -0.000 0.000 3.321) 3.321 12.563 ( -0.000 -0.000 3.321) 3.321 12.602 ( 0.000 0.000 11.318) 11.318 12.617 ( 0.000 0.000 3.020) 3.020 12.617 ( -0.000 -0.000 3.020) 3.020 12.664 ( -0.000 -0.000 -3.082) 3.082 12.722 ( 0.000 0.000 -5.984) 5.984 12.927 ( 0.000 0.000 1.951) 1.951 12.927 ( 0.000 0.000 1.951) 1.951 12.957 ( 0.000 0.000 5.632) 5.632 12.957 ( 0.000 0.000 5.632) 5.632 12.957 ( 0.000 0.000 3.610) 3.610 13.075 ( 0.000 0.000 13.960) 13.960 13.110 ( -0.000 0.000 -7.424) 7.424 13.232 ( -0.000 -0.000 -1.456) 1.456 13.391 ( 0.000 0.000 -4.192) 4.192 13.391 ( 0.000 0.000 -4.192) 4.192 13.533 ( 0.000 0.000 4.817) 4.817 13.549 ( 0.000 0.000 3.346) 3.346 13.549 ( 0.000 0.000 3.346) 3.346 13.583 ( -0.000 0.000 3.043) 3.043 13.707 ( -0.000 0.000 9.604) 9.604 13.933 ( -0.000 0.000 -0.399) 0.399 13.943 ( 0.000 0.000 0.480) 0.480 13.943 ( -0.000 -0.000 0.480) 0.480 14.014 ( 0.000 0.000 -0.489) 0.489 14.014 ( -0.000 0.000 -0.489) 0.489 14.262 ( -0.000 -0.000 -0.368) 0.368 14.262 ( 0.000 0.000 -0.368) 0.368 14.290 ( -0.000 0.000 -8.050) 8.050 14.346 ( 0.000 0.000 2.345) 2.345 14.400 ( 0.000 0.000 2.484) 2.484 14.400 ( 0.000 0.000 2.484) 2.484 14.416 ( -0.000 -0.000 -1.324) 1.324 14.491 ( 0.000 0.000 1.864) 1.864 14.541 ( 0.000 0.000 1.585) 1.585 14.541 ( 0.000 0.000 1.585) 1.585 14.590 ( -0.000 0.000 7.164) 7.164 14.684 ( 0.000 0.000 -1.666) 1.666 14.908 ( 0.000 0.000 1.584) 1.584 15.282 ( -0.000 -0.000 8.665) 8.665 15.321 ( -0.000 -0.000 -4.031) 4.031 15.321 ( 0.000 0.000 -4.031) 4.031 15.381 ( -0.000 0.000 -5.085) 5.085 15.441 ( -0.000 0.000 0.808) 0.808 15.441 ( 0.000 0.000 0.808) 0.808 15.551 ( -0.000 0.000 3.989) 3.989 15.551 ( -0.000 0.000 3.989) 3.989 15.644 ( 0.000 0.000 -1.385) 1.385 15.778 ( 0.000 0.000 1.645) 1.645 15.778 ( 0.000 0.000 1.645) 1.645 15.827 ( 0.000 0.000 5.337) 5.337 15.908 ( 0.000 0.000 4.846) 4.846 15.908 ( -0.000 0.000 4.846) 4.846 15.923 ( 0.000 0.000 -4.091) 4.091 15.984 ( -0.000 0.000 4.611) 4.611 16.453 ( -0.000 0.000 -2.742) 2.742 16.453 ( 0.000 0.000 -2.742) 2.742 16.474 ( -0.000 0.000 -5.110) 5.110 16.572 ( -0.000 -0.000 -4.739) 4.739 16.703 ( 0.000 0.000 0.644) 0.644 17.116 ( 0.000 0.000 -8.742) 8.742 17.684 ( 0.000 0.000 -6.243) 6.243 17.684 ( 0.000 0.000 -6.243) 6.243 17.798 ( -0.000 -0.000 -7.641) 7.641 17.927 ( 0.000 0.000 -6.160) 6.160 18.030 ( 0.000 0.000 -7.568) 7.568 18.073 ( 0.000 0.000 -2.671) 2.671 18.073 ( 0.000 0.000 -2.671) 2.671 18.139 ( -0.000 0.000 -8.753) 8.753 18.290 ( -0.000 -0.000 -6.275) 6.275 18.290 ( 0.000 0.000 -6.275) 6.275 18.294 ( -0.000 0.000 -13.731) 13.731 18.311 ( 0.000 0.000 -3.973) 3.973 18.311 ( 0.000 0.000 -3.973) 3.973 18.492 ( -0.000 0.000 -1.449) 1.449 18.540 ( -0.000 -0.000 -14.417) 14.417 18.641 ( -0.000 0.000 -3.177) 3.177 18.826 ( -0.000 0.000 4.879) 4.879 18.990 ( -0.000 0.000 -11.236) 11.236 18.991 ( 0.000 0.000 -3.629) 3.629 18.991 ( 0.000 0.000 -3.629) 3.629 19.079 ( -0.000 -0.000 -4.916) 4.916 19.128 ( 0.000 0.000 -6.954) 6.954 19.157 ( 0.000 0.000 -6.700) 6.700 19.355 ( 0.000 0.000 -6.124) 6.124 19.355 ( -0.000 -0.000 -6.124) 6.124 19.414 ( -0.000 -0.000 -11.751) 11.751 19.561 ( 0.000 0.000 -11.013) 11.013 19.602 ( 0.000 0.000 -1.713) 1.713 19.602 ( 0.000 0.000 -1.713) 1.713 19.614 ( 0.000 0.000 -7.494) 7.494 19.965 ( 0.000 0.000 -3.494) 3.494 20.322 ( 0.000 0.000 -12.463) 12.463 20.322 ( 0.000 0.000 -12.463) 12.463 20.391 ( 0.000 0.000 -10.805) 10.805 20.391 ( 0.000 0.000 -10.805) 10.805 21.011 ( -0.000 0.000 -14.077) 14.077 ======================= Grid point 26 (8/36) ======================= q-point: ( 0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 19.411 0.000 10.302) 21.975 0.887 ( 27.833 0.000 11.710) 30.196 1.236 ( 25.720 0.000 25.066) 35.914 1.297 ( -9.288 0.000 2.304) 9.570 1.687 ( 0.907 0.000 -0.769) 1.189 1.697 ( -6.911 0.000 6.046) 9.183 1.792 ( 0.234 0.000 4.253) 4.259 1.804 ( -1.672 0.000 5.331) 5.587 1.845 ( 0.568 0.000 -0.012) 0.569 2.096 ( 0.998 0.000 2.925) 3.091 2.108 ( 0.911 0.000 4.228) 4.325 2.131 ( 1.410 0.000 4.589) 4.801 2.159 ( 0.576 0.000 3.489) 3.536 2.207 ( 9.316 0.000 -2.327) 9.602 2.218 ( 2.967 0.000 2.820) 4.094 2.296 ( -3.222 0.000 6.539) 7.290 2.487 ( -4.146 0.000 -0.453) 4.170 2.516 ( -13.333 0.000 -1.067) 13.375 2.585 ( 0.483 0.000 1.495) 1.571 2.700 ( -2.892 0.000 0.765) 2.991 2.717 ( -0.210 0.000 -2.719) 2.727 2.845 ( -5.548 0.000 -2.670) 6.157 3.027 ( 4.071 0.000 -0.529) 4.106 3.209 ( -5.098 0.000 -0.208) 5.102 3.752 ( 0.306 0.000 17.354) 17.357 3.803 ( -1.639 0.000 17.370) 17.447 3.931 ( 12.548 0.000 13.359) 18.328 4.346 ( -12.592 0.000 27.829) 30.545 5.094 ( 2.528 0.000 0.680) 2.618 5.215 ( -2.663 0.000 1.809) 3.219 5.245 ( 8.298 0.000 6.034) 10.260 5.291 ( 6.756 0.000 3.053) 7.414 5.387 ( 10.103 0.000 6.415) 11.967 5.569 ( 5.808 0.000 13.126) 14.354 5.666 ( -9.234 0.000 6.079) 11.056 5.897 ( -18.219 0.000 9.424) 20.512 6.045 ( -10.410 0.000 9.262) 13.934 6.105 ( 2.422 0.000 4.468) 5.082 6.163 ( 4.961 0.000 2.307) 5.472 6.187 ( -8.632 0.000 13.555) 16.070 6.225 ( -4.157 0.000 8.362) 9.338 6.454 ( 12.808 0.000 6.952) 14.573 6.463 ( -6.706 0.000 5.521) 8.686 6.636 ( 15.633 0.000 1.613) 15.716 6.826 ( 5.660 0.000 3.347) 6.575 6.949 ( 6.419 0.000 -3.432) 7.279 6.971 ( -7.958 0.000 7.350) 10.833 7.091 ( -2.634 0.000 -0.119) 2.637 7.093 ( -6.975 0.000 0.325) 6.983 7.160 ( -1.220 0.000 -1.310) 1.790 7.215 ( 6.734 0.000 11.029) 12.922 7.277 ( 23.306 0.000 6.155) 24.105 7.374 ( -2.280 0.000 4.165) 4.749 7.507 ( -1.404 0.000 5.119) 5.308 7.620 ( -5.394 0.000 -5.551) 7.740 7.642 ( -5.556 0.000 -4.599) 7.213 7.712 ( 4.302 0.000 -0.952) 4.407 7.739 ( 5.879 0.000 -0.628) 5.912 7.859 ( -0.451 0.000 8.694) 8.706 7.922 ( -5.472 0.000 7.293) 9.118 7.973 ( 1.393 0.000 -1.817) 2.290 7.984 ( 8.529 0.000 -0.338) 8.535 8.041 ( 1.190 0.000 0.918) 1.503 8.153 ( -21.989 0.000 2.220) 22.101 8.319 ( -13.684 0.000 -2.857) 13.979 8.478 ( -1.580 0.000 4.145) 4.436 8.549 ( 1.098 0.000 -6.927) 7.013 8.557 ( 1.383 0.000 3.550) 3.810 8.609 ( 1.762 0.000 1.667) 2.425 8.629 ( -0.885 0.000 1.628) 1.853 8.738 ( -4.680 0.000 2.305) 5.217 8.777 ( 6.235 0.000 -1.391) 6.388 8.820 ( -10.426 0.000 4.034) 11.179 8.856 ( 8.848 0.000 2.521) 9.200 9.085 ( -8.809 0.000 -6.716) 11.077 9.129 ( -5.966 0.000 -2.038) 6.304 9.215 ( 0.255 0.000 -7.081) 7.085 9.282 ( 0.794 0.000 0.118) 0.803 9.297 ( 2.394 0.000 0.229) 2.405 9.396 ( 0.863 0.000 0.045) 0.865 9.407 ( 3.550 0.000 -0.433) 3.576 9.477 ( 10.275 0.000 0.291) 10.280 9.539 ( 14.526 0.000 -0.095) 14.526 9.618 ( 2.091 0.000 7.433) 7.722 9.694 ( -4.108 0.000 4.503) 6.095 9.779 ( 7.724 0.000 -6.608) 10.165 9.837 ( -1.657 0.000 -2.026) 2.617 9.999 ( 2.238 0.000 -0.318) 2.260 10.033 ( 6.223 0.000 4.887) 7.913 10.115 ( 4.823 0.000 6.212) 7.865 10.132 ( -3.674 0.000 1.338) 3.910 10.216 ( 0.894 0.000 0.960) 1.312 10.361 ( -6.010 0.000 -2.015) 6.339 10.386 ( -4.054 0.000 -1.039) 4.185 10.447 ( -1.002 0.000 -6.631) 6.707 10.502 ( -2.553 0.000 4.659) 5.313 10.515 ( 0.826 0.000 0.582) 1.011 10.623 ( -3.301 0.000 1.879) 3.799 10.659 ( 3.596 0.000 0.763) 3.676 10.730 ( -6.315 0.000 0.340) 6.325 10.732 ( -5.575 0.000 2.346) 6.048 10.766 ( -2.046 0.000 1.063) 2.306 10.770 ( 0.828 0.000 1.822) 2.001 10.808 ( -1.595 0.000 2.730) 3.162 10.842 ( -1.995 0.000 -4.304) 4.744 10.907 ( 1.770 0.000 1.174) 2.124 10.949 ( -5.413 0.000 -0.021) 5.413 10.987 ( 0.718 0.000 -0.118) 0.727 11.046 ( 2.567 0.000 8.957) 9.318 11.070 ( -2.578 0.000 -1.549) 3.007 11.131 ( -0.559 0.000 9.696) 9.712 11.230 ( 0.572 0.000 7.162) 7.185 11.253 ( -4.489 0.000 -3.571) 5.736 11.305 ( 6.202 0.000 1.601) 6.405 11.320 ( 1.085 0.000 -2.189) 2.443 11.403 ( 5.421 0.000 0.333) 5.431 11.407 ( 0.641 0.000 -3.959) 4.011 11.525 ( -3.454 0.000 1.080) 3.619 11.538 ( 5.897 0.000 -2.614) 6.450 11.557 ( 0.564 0.000 0.402) 0.693 11.580 ( -0.453 0.000 4.162) 4.187 11.613 ( -0.672 0.000 6.768) 6.801 11.689 ( 5.284 0.000 2.441) 5.821 11.692 ( 4.647 0.000 -2.776) 5.413 11.718 ( 0.728 0.000 5.423) 5.471 11.746 ( -3.578 0.000 2.788) 4.536 11.834 ( -2.978 0.000 -8.505) 9.011 11.876 ( 0.184 0.000 -1.779) 1.789 11.879 ( 0.645 0.000 0.596) 0.879 11.938 ( -2.551 0.000 -2.294) 3.431 11.984 ( 1.060 0.000 4.719) 4.836 12.018 ( 1.670 0.000 3.368) 3.759 12.027 ( 2.290 0.000 2.327) 3.265 12.261 ( -0.925 0.000 2.243) 2.426 12.313 ( -7.453 0.000 6.272) 9.741 12.329 ( -1.716 0.000 0.730) 1.865 12.387 ( -3.391 0.000 1.189) 3.593 12.398 ( 1.027 0.000 2.126) 2.361 12.458 ( -0.559 0.000 0.471) 0.730 12.475 ( -0.446 0.000 3.270) 3.300 12.479 ( -1.296 0.000 8.415) 8.514 12.499 ( -1.584 0.000 2.643) 3.081 12.562 ( -2.891 0.000 -1.134) 3.106 12.581 ( 2.917 0.000 4.715) 5.544 12.652 ( 2.744 0.000 7.979) 8.437 12.667 ( 4.431 0.000 7.220) 8.471 12.671 ( 4.279 0.000 4.443) 6.169 12.709 ( -1.653 0.000 -3.224) 3.623 12.738 ( 6.397 0.000 -1.405) 6.549 12.825 ( -7.829 0.000 4.674) 9.118 12.891 ( -4.199 0.000 7.879) 8.928 12.949 ( 1.038 0.000 2.352) 2.571 12.958 ( -0.388 0.000 3.298) 3.321 13.044 ( -1.670 0.000 8.274) 8.440 13.179 ( 4.688 0.000 -5.287) 7.066 13.190 ( 7.456 0.000 -2.994) 8.035 13.263 ( 2.868 0.000 -0.988) 3.034 13.329 ( -1.595 0.000 -0.897) 1.830 13.356 ( -3.796 0.000 -3.828) 5.391 13.496 ( -4.500 0.000 3.546) 5.729 13.582 ( 5.045 0.000 3.357) 6.060 13.605 ( 5.965 0.000 3.353) 6.843 13.690 ( 6.191 0.000 0.954) 6.264 13.748 ( 2.814 0.000 8.811) 9.249 13.886 ( -1.896 0.000 0.730) 2.031 13.935 ( -0.498 0.000 1.097) 1.204 13.992 ( 2.417 0.000 -1.209) 2.702 14.010 ( -1.216 0.000 0.026) 1.216 14.133 ( -9.347 0.000 -2.002) 9.559 14.155 ( 0.210 0.000 -5.380) 5.384 14.222 ( -0.390 0.000 -2.068) 2.104 14.286 ( -0.094 0.000 -2.711) 2.713 14.340 ( -0.103 0.000 0.456) 0.467 14.356 ( 2.751 0.000 -0.508) 2.798 14.423 ( 2.258 0.000 1.520) 2.722 14.444 ( 0.984 0.000 -2.543) 2.727 14.521 ( 7.299 0.000 -0.702) 7.333 14.551 ( -2.038 0.000 3.965) 4.459 14.643 ( -1.622 0.000 -2.440) 2.930 14.697 ( 7.221 0.000 0.507) 7.239 14.710 ( 12.088 0.000 1.970) 12.247 14.893 ( -0.633 0.000 0.174) 0.656 15.211 ( -10.555 0.000 -0.180) 10.556 15.274 ( -14.552 0.000 1.513) 14.631 15.290 ( 1.049 0.000 10.100) 10.155 15.340 ( 1.682 0.000 -2.813) 3.278 15.350 ( 0.413 0.000 -0.773) 0.876 15.467 ( -0.803 0.000 1.943) 2.103 15.478 ( -4.845 0.000 2.767) 5.579 15.556 ( -3.924 0.000 5.043) 6.390 15.724 ( 1.086 0.000 9.196) 9.260 15.727 ( 4.547 0.000 -0.597) 4.586 15.755 ( 0.637 0.000 2.417) 2.500 15.818 ( -0.869 0.000 5.220) 5.292 15.855 ( -0.127 0.000 4.496) 4.498 15.949 ( 5.065 0.000 3.597) 6.212 15.970 ( -1.743 0.000 2.852) 3.342 16.130 ( 11.696 0.000 -2.609) 11.983 16.318 ( -10.946 0.000 -0.315) 10.950 16.420 ( -3.514 0.000 -2.647) 4.399 16.516 ( 2.846 0.000 -5.351) 6.061 16.571 ( -0.482 0.000 -4.308) 4.335 16.764 ( 5.616 0.000 -2.735) 6.246 17.045 ( -6.655 0.000 -7.996) 10.404 17.696 ( 1.117 0.000 -4.099) 4.249 17.732 ( 4.810 0.000 -6.235) 7.875 17.819 ( 2.121 0.000 -7.471) 7.767 17.825 ( -8.913 0.000 6.426) 10.988 17.909 ( -1.889 0.000 -6.375) 6.649 17.992 ( -6.273 0.000 -5.075) 8.069 18.083 ( 4.317 0.000 -7.130) 8.335 18.185 ( 2.833 0.000 -6.415) 7.012 18.240 ( -2.011 0.000 -9.099) 9.319 18.278 ( -1.743 0.000 -5.124) 5.413 18.312 ( 0.424 0.000 -4.724) 4.743 18.331 ( 2.636 0.000 -4.747) 5.430 18.371 ( -1.096 0.000 -10.032) 10.092 18.466 ( -2.703 0.000 -2.202) 3.487 18.649 ( 1.163 0.000 -5.355) 5.480 18.660 ( 3.494 0.000 -15.045) 15.445 18.867 ( 4.457 0.000 -3.877) 5.908 18.960 ( -0.443 0.000 -8.937) 8.948 19.001 ( 1.012 0.000 -3.891) 4.021 19.060 ( -1.709 0.000 -5.046) 5.328 19.061 ( 2.882 0.000 -7.843) 8.356 19.119 ( -1.047 0.000 -7.053) 7.130 19.170 ( 2.345 0.000 -6.495) 6.906 19.290 ( -3.115 0.000 -8.059) 8.640 19.403 ( 4.588 0.000 -5.099) 6.860 19.422 ( -1.966 0.000 -4.427) 4.844 19.427 ( -5.538 0.000 0.069) 5.539 19.578 ( -2.631 0.000 -2.222) 3.444 19.636 ( 6.954 0.000 -10.478) 12.575 19.843 ( 4.966 0.000 -14.830) 15.639 19.979 ( 5.252 0.000 -9.399) 10.767 20.290 ( -4.407 0.000 -11.988) 12.773 20.325 ( 0.457 0.000 -12.183) 12.191 20.375 ( -1.486 0.000 -10.978) 11.078 20.389 ( 1.246 0.000 -10.840) 10.912 20.706 ( -18.496 0.000 -2.252) 18.632 ======================= Grid point 27 (9/36) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -18.896 0.000 4.936) 19.530 1.014 ( 18.896 0.000 4.936) 19.530 1.309 ( -18.050 0.000 9.034) 20.184 1.309 ( 18.050 0.000 9.034) 20.184 1.751 ( -3.948 0.000 1.782) 4.332 1.751 ( 3.948 0.000 1.782) 4.332 1.791 ( -4.082 0.000 5.543) 6.884 1.791 ( 4.082 0.000 5.543) 6.884 2.003 ( -23.739 0.000 7.116) 24.783 2.003 ( 23.739 0.000 7.116) 24.783 2.142 ( -2.427 0.000 4.652) 5.247 2.142 ( 2.427 0.000 4.652) 5.247 2.143 ( -2.115 0.000 3.833) 4.378 2.143 ( 2.115 0.000 3.833) 4.378 2.288 ( -4.643 0.000 2.708) 5.375 2.288 ( 4.643 0.000 2.708) 5.375 2.376 ( -7.598 0.000 -1.288) 7.706 2.376 ( 7.598 0.000 -1.288) 7.706 2.644 ( -3.145 0.000 0.197) 3.152 2.644 ( 3.145 0.000 0.197) 3.152 2.744 ( -3.726 0.000 -2.291) 4.374 2.744 ( 3.726 0.000 -2.291) 4.374 3.108 ( -4.879 0.000 -0.416) 4.897 3.108 ( 4.879 0.000 -0.416) 4.897 3.770 ( -1.521 0.000 17.039) 17.107 3.770 ( 1.521 0.000 17.039) 17.107 4.144 ( -10.117 0.000 19.846) 22.276 4.144 ( 10.117 0.000 19.846) 22.276 5.152 ( -3.509 0.000 1.701) 3.900 5.152 ( 3.509 0.000 1.701) 3.900 5.452 ( -12.284 0.000 5.270) 13.367 5.452 ( 12.284 0.000 5.270) 13.367 5.467 ( -12.342 0.000 3.954) 12.960 5.467 ( 12.342 0.000 3.954) 12.960 5.610 ( -12.117 0.000 11.137) 16.457 5.610 ( 12.117 0.000 11.137) 16.457 6.028 ( -6.764 0.000 13.276) 14.899 6.028 ( 6.764 0.000 13.276) 14.899 6.156 ( -2.916 0.000 7.316) 7.875 6.156 ( 2.916 0.000 7.316) 7.875 6.304 ( -8.613 0.000 4.250) 9.604 6.304 ( 8.613 0.000 4.250) 9.604 6.724 ( -14.899 0.000 8.378) 17.093 6.724 ( 14.899 0.000 8.378) 17.093 6.939 ( -13.230 0.000 -1.203) 13.284 6.939 ( 13.230 0.000 -1.203) 13.284 6.961 ( -7.629 0.000 1.635) 7.802 6.961 ( 7.629 0.000 1.635) 7.802 7.071 ( -6.523 0.000 -0.183) 6.525 7.071 ( 6.523 0.000 -0.183) 6.525 7.362 ( -2.775 0.000 5.256) 5.943 7.362 ( 2.775 0.000 5.256) 5.943 7.500 ( -4.957 0.000 -0.924) 5.042 7.500 ( 4.957 0.000 -0.924) 5.042 7.655 ( -14.261 0.000 -1.646) 14.356 7.655 ( 14.261 0.000 -1.646) 14.356 7.711 ( -14.001 0.000 4.874) 14.825 7.711 ( 14.001 0.000 4.874) 14.825 7.827 ( -1.788 0.000 3.170) 3.640 7.827 ( 1.788 0.000 3.170) 3.640 7.913 ( -7.275 0.000 1.207) 7.375 7.913 ( 7.275 0.000 1.207) 7.375 8.110 ( -8.046 0.000 -0.122) 8.047 8.110 ( 8.046 0.000 -0.122) 8.047 8.287 ( -15.053 0.000 1.099) 15.093 8.287 ( 15.053 0.000 1.099) 15.093 8.598 ( -2.364 0.000 2.721) 3.604 8.598 ( 2.364 0.000 2.721) 3.604 8.640 ( -7.931 0.000 -2.153) 8.218 8.640 ( 7.931 0.000 -2.153) 8.218 8.658 ( -3.481 0.000 1.903) 3.967 8.658 ( 3.481 0.000 1.903) 3.967 8.925 ( -7.742 0.000 -1.210) 7.836 8.925 ( 7.742 0.000 -1.210) 7.836 9.002 ( -6.921 0.000 2.375) 7.317 9.002 ( 6.921 0.000 2.375) 7.317 9.250 ( -2.792 0.000 -5.638) 6.291 9.250 ( 2.792 0.000 -5.638) 6.291 9.356 ( -3.103 0.000 0.093) 3.104 9.356 ( 3.103 0.000 0.093) 3.104 9.529 ( -8.594 0.000 2.768) 9.029 9.529 ( 8.594 0.000 2.768) 9.029 9.667 ( -3.475 0.000 2.764) 4.440 9.667 ( 3.475 0.000 2.764) 4.440 9.794 ( -7.638 0.000 -7.681) 10.833 9.794 ( 7.638 0.000 -7.681) 10.833 9.846 ( -9.413 0.000 4.361) 10.374 9.846 ( 9.413 0.000 4.361) 10.374 10.150 ( -4.493 0.000 5.517) 7.115 10.150 ( 4.493 0.000 5.517) 7.115 10.253 ( -5.888 0.000 2.144) 6.267 10.253 ( 5.888 0.000 2.144) 6.267 10.259 ( -9.441 0.000 -4.401) 10.416 10.259 ( 9.441 0.000 -4.401) 10.416 10.475 ( -3.672 0.000 -0.324) 3.686 10.475 ( 3.672 0.000 -0.324) 3.686 10.537 ( -5.307 0.000 1.346) 5.475 10.537 ( 5.307 0.000 1.346) 5.475 10.655 ( -1.280 0.000 4.148) 4.340 10.655 ( 1.280 0.000 4.148) 4.340 10.691 ( -2.113 0.000 -0.748) 2.242 10.691 ( 2.113 0.000 -0.748) 2.242 10.792 ( -2.565 0.000 -0.940) 2.731 10.792 ( 2.565 0.000 -0.940) 2.731 10.901 ( -6.538 0.000 0.029) 6.538 10.901 ( 6.538 0.000 0.029) 6.538 10.912 ( -1.387 0.000 1.888) 2.343 10.912 ( 1.387 0.000 1.888) 2.343 11.103 ( -2.525 0.000 8.433) 8.803 11.103 ( 2.525 0.000 8.433) 8.803 11.144 ( -5.828 0.000 -1.314) 5.975 11.144 ( 5.828 0.000 -1.314) 5.975 11.275 ( -3.569 0.000 0.212) 3.575 11.275 ( 3.569 0.000 0.212) 3.575 11.428 ( -6.125 0.000 1.361) 6.274 11.428 ( 6.125 0.000 1.361) 6.274 11.494 ( -5.322 0.000 0.257) 5.329 11.494 ( 5.322 0.000 0.257) 5.329 11.519 ( -5.731 0.000 1.910) 6.041 11.519 ( 5.731 0.000 1.910) 6.041 11.648 ( -4.662 0.000 0.080) 4.662 11.648 ( 4.662 0.000 0.080) 4.662 11.657 ( -4.881 0.000 6.629) 8.233 11.657 ( 4.881 0.000 6.629) 8.233 11.781 ( -3.836 0.000 -7.730) 8.629 11.781 ( 3.836 0.000 -7.730) 8.629 11.842 ( -6.012 0.000 0.110) 6.013 11.842 ( 6.012 0.000 0.110) 6.013 11.889 ( -2.264 0.000 -0.777) 2.394 11.889 ( 2.264 0.000 -0.777) 2.394 12.002 ( -1.640 0.000 4.766) 5.040 12.002 ( 1.640 0.000 4.766) 5.040 12.124 ( -8.690 0.000 4.930) 9.991 12.124 ( 8.690 0.000 4.930) 9.991 12.316 ( -3.376 0.000 1.246) 3.599 12.316 ( 3.376 0.000 1.246) 3.599 12.388 ( -5.750 0.000 -1.004) 5.837 12.388 ( 5.750 0.000 -1.004) 5.837 12.448 ( -2.982 0.000 2.262) 3.743 12.448 ( 2.982 0.000 2.262) 3.743 12.468 ( -0.154 0.000 5.671) 5.673 12.468 ( 0.154 0.000 5.671) 5.673 12.596 ( -6.138 0.000 0.124) 6.139 12.596 ( 6.138 0.000 0.124) 6.139 12.646 ( -2.827 0.000 6.306) 6.911 12.646 ( 2.827 0.000 6.306) 6.911 12.744 ( -2.361 0.000 3.301) 4.059 12.744 ( 2.361 0.000 3.301) 4.059 12.755 ( -4.135 0.000 3.367) 5.333 12.755 ( 4.135 0.000 3.367) 5.333 12.933 ( -7.708 0.000 9.121) 11.941 12.933 ( 7.708 0.000 9.121) 11.941 12.958 ( -0.254 0.000 2.949) 2.960 12.958 ( 0.254 0.000 2.949) 2.960 13.257 ( -1.946 0.000 -1.179) 2.275 13.257 ( 1.946 0.000 -1.179) 2.275 13.268 ( -4.853 0.000 -3.958) 6.263 13.268 ( 4.853 0.000 -3.958) 6.263 13.400 ( -5.365 0.000 0.981) 5.454 13.400 ( 5.365 0.000 0.981) 5.454 13.692 ( -5.258 0.000 3.415) 6.270 13.692 ( 5.258 0.000 3.415) 6.270 13.732 ( -5.378 0.000 5.447) 7.655 13.732 ( 5.378 0.000 5.447) 7.655 13.916 ( -5.761 0.000 0.083) 5.761 13.916 ( 5.761 0.000 0.083) 5.761 14.012 ( -8.370 0.000 -1.659) 8.533 14.012 ( 8.370 0.000 -1.659) 8.533 14.035 ( -2.222 0.000 -1.141) 2.498 14.035 ( 2.222 0.000 -1.141) 2.498 14.295 ( -5.236 0.000 0.667) 5.279 14.295 ( 5.236 0.000 0.667) 5.279 14.309 ( -2.179 0.000 -0.560) 2.250 14.309 ( 2.179 0.000 -0.560) 2.250 14.491 ( -3.967 0.000 1.509) 4.244 14.491 ( 3.967 0.000 1.509) 4.244 14.557 ( -5.808 0.000 -4.370) 7.268 14.557 ( 5.808 0.000 -4.370) 7.268 14.702 ( -7.547 0.000 -4.231) 8.652 14.702 ( 7.547 0.000 -4.231) 8.652 14.975 ( -15.530 0.000 1.311) 15.585 14.975 ( 15.530 0.000 1.311) 15.585 14.997 ( -10.909 0.000 1.321) 10.989 14.997 ( 10.909 0.000 1.321) 10.989 15.328 ( -2.636 0.000 9.373) 9.737 15.328 ( 2.636 0.000 9.373) 9.737 15.394 ( -3.789 0.000 0.919) 3.899 15.394 ( 3.789 0.000 0.919) 3.899 15.472 ( -2.548 0.000 5.550) 6.107 15.472 ( 2.548 0.000 5.550) 6.107 15.767 ( -1.156 0.000 3.880) 4.048 15.767 ( 1.156 0.000 3.880) 4.048 15.787 ( -2.780 0.000 4.809) 5.555 15.787 ( 2.780 0.000 4.809) 5.555 15.909 ( -4.437 0.000 0.730) 4.496 15.909 ( 4.437 0.000 0.730) 4.496 16.103 ( -10.666 0.000 1.048) 10.718 16.103 ( 10.666 0.000 1.048) 10.718 16.316 ( -7.639 0.000 -2.585) 8.064 16.316 ( 7.639 0.000 -2.585) 8.064 16.555 ( -1.298 0.000 -4.176) 4.373 16.555 ( 1.298 0.000 -4.176) 4.373 16.899 ( -8.012 0.000 -6.143) 10.095 16.899 ( 8.012 0.000 -6.143) 10.095 17.733 ( -2.863 0.000 -0.283) 2.877 17.733 ( 2.863 0.000 -0.283) 2.877 17.843 ( -5.157 0.000 -6.566) 8.349 17.843 ( 5.157 0.000 -6.566) 8.349 17.878 ( -3.512 0.000 -6.349) 7.256 17.878 ( 3.512 0.000 -6.349) 7.256 18.177 ( -4.664 0.000 -9.059) 10.189 18.177 ( 4.664 0.000 -9.059) 10.189 18.235 ( -2.516 0.000 -5.371) 5.931 18.235 ( 2.516 0.000 -5.371) 5.931 18.334 ( -1.884 0.000 -5.297) 5.622 18.334 ( 1.884 0.000 -5.297) 5.622 18.399 ( -3.991 0.000 -3.795) 5.507 18.399 ( 3.991 0.000 -3.795) 5.507 18.670 ( -0.939 0.000 -7.329) 7.389 18.670 ( 0.939 0.000 -7.329) 7.389 18.940 ( -2.358 0.000 -10.608) 10.867 18.940 ( 2.358 0.000 -10.608) 10.867 19.026 ( -1.619 0.000 -4.558) 4.837 19.026 ( 1.619 0.000 -4.558) 4.837 19.093 ( -1.411 0.000 -7.331) 7.466 19.093 ( 1.411 0.000 -7.331) 7.466 19.239 ( -3.418 0.000 -8.190) 8.875 19.239 ( 3.418 0.000 -8.190) 8.875 19.379 ( -0.686 0.000 -1.066) 1.267 19.379 ( 0.686 0.000 -1.066) 1.267 19.502 ( -5.119 0.000 -3.504) 6.204 19.502 ( 5.119 0.000 -3.504) 6.204 19.781 ( -7.145 0.000 -9.776) 12.109 19.781 ( 7.145 0.000 -9.776) 12.109 20.153 ( -9.344 0.000 -15.594) 18.179 20.153 ( 9.344 0.000 -15.594) 18.179 20.344 ( -1.506 0.000 -11.517) 11.615 20.344 ( 1.506 0.000 -11.517) 11.615 20.468 ( -7.514 0.000 -6.358) 9.843 20.468 ( 7.514 0.000 -6.358) 9.843 ======================= Grid point 31 (10/36) ======================= q-point: ( 0.25 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 15.799 15.799 5.377) 22.982 1.065 ( 14.922 14.922 12.205) 24.378 1.388 ( 3.584 3.584 3.362) 6.083 1.456 ( 18.346 18.346 9.808) 27.737 1.561 ( -1.788 -1.788 6.300) 6.788 1.690 ( -3.634 -3.634 5.027) 7.189 1.764 ( -2.463 -2.463 8.552) 9.234 1.807 ( -0.649 -0.649 -0.672) 1.138 1.840 ( -0.102 -0.102 1.037) 1.047 2.021 ( -4.823 -4.823 6.444) 9.383 2.068 ( -2.987 -2.987 5.807) 7.181 2.157 ( 3.510 3.510 2.987) 5.793 2.220 ( 1.428 1.428 1.099) 2.299 2.235 ( 3.416 3.416 4.503) 6.604 2.288 ( -1.233 -1.233 6.972) 7.186 2.294 ( 7.097 7.097 -1.408) 10.135 2.452 ( -7.899 -7.899 -3.378) 11.670 2.540 ( 0.216 0.216 -1.551) 1.581 2.544 ( -2.274 -2.274 2.861) 4.305 2.592 ( -3.341 -3.341 2.379) 5.290 2.721 ( -2.786 -2.786 -0.095) 3.941 2.788 ( -5.520 -5.520 -2.381) 8.162 3.036 ( 1.350 1.350 -1.223) 2.267 3.162 ( -4.297 -4.297 -0.330) 6.086 3.678 ( -3.010 -3.010 18.157) 18.649 3.745 ( -4.704 -4.704 17.788) 18.991 4.100 ( 10.600 10.600 15.092) 21.271 4.319 ( -2.340 -2.340 26.143) 26.351 5.141 ( 3.928 3.928 0.774) 5.609 5.261 ( 1.030 1.030 2.321) 2.741 5.297 ( 4.865 4.865 3.867) 7.893 5.322 ( 5.632 5.632 2.488) 8.344 5.413 ( 4.458 4.458 4.609) 7.809 5.610 ( -2.768 -2.768 4.684) 6.104 5.660 ( 3.481 3.481 14.491) 15.305 5.848 ( -7.963 -7.963 4.493) 12.125 5.898 ( -7.192 -7.192 12.058) 15.775 6.072 ( -6.375 -6.375 12.668) 15.548 6.098 ( -3.550 -3.550 6.236) 8.006 6.205 ( 1.169 1.169 6.216) 6.432 6.335 ( 7.856 7.856 6.440) 12.841 6.472 ( 5.301 5.301 9.160) 11.837 6.526 ( 0.093 0.093 6.202) 6.204 6.668 ( 8.488 8.488 -0.228) 12.006 6.877 ( -3.621 -3.621 2.949) 5.910 6.911 ( 2.094 2.094 -2.399) 3.811 6.975 ( 0.919 0.919 11.486) 11.560 7.037 ( -1.187 -1.187 3.751) 4.110 7.052 ( -2.491 -2.491 1.153) 3.706 7.109 ( -3.438 -3.438 7.334) 8.799 7.160 ( -1.169 -1.169 -3.775) 4.121 7.329 ( -4.756 -4.756 1.671) 6.931 7.435 ( 7.051 7.051 1.441) 10.075 7.484 ( -7.499 -7.499 -5.445) 11.921 7.580 ( -1.746 -1.746 -2.804) 3.736 7.618 ( -16.720 -16.720 5.471) 24.270 7.686 ( 4.379 4.379 6.811) 9.206 7.825 ( 9.065 9.065 -2.101) 12.991 7.862 ( -3.050 -3.050 -0.737) 4.375 7.898 ( 5.495 5.495 5.362) 9.441 7.929 ( 4.510 4.510 -0.769) 6.424 7.946 ( -1.734 -1.734 4.371) 5.012 8.114 ( 7.685 7.685 -1.077) 10.921 8.164 ( -5.713 -5.713 2.514) 8.462 8.317 ( -4.398 -4.398 1.055) 6.309 8.445 ( -0.043 -0.043 -1.865) 1.866 8.487 ( -3.875 -3.875 4.423) 7.042 8.508 ( 2.112 2.112 5.696) 6.432 8.609 ( -1.786 -1.786 -0.834) 2.660 8.625 ( -0.480 -0.480 -2.341) 2.437 8.684 ( -1.373 -1.373 0.338) 1.970 8.894 ( 4.871 4.871 0.400) 6.900 8.905 ( 6.460 6.460 0.278) 9.140 8.964 ( -7.750 -7.750 -6.184) 12.584 9.013 ( 2.275 2.275 1.834) 3.704 9.100 ( -2.613 -2.613 -1.892) 4.151 9.175 ( -2.018 -2.018 -6.658) 7.244 9.181 ( -1.344 -1.344 1.569) 2.465 9.325 ( 0.543 0.543 1.954) 2.099 9.345 ( 1.868 1.868 -0.049) 2.643 9.466 ( 4.127 4.127 -0.870) 5.901 9.518 ( -2.642 -2.642 1.564) 4.050 9.568 ( 0.943 0.943 2.120) 2.504 9.711 ( 7.825 7.825 -1.864) 11.223 9.724 ( -1.048 -1.048 0.526) 1.573 9.767 ( 8.566 8.566 1.914) 12.264 9.856 ( -0.847 -0.847 1.520) 1.935 9.973 ( -0.784 -0.784 2.454) 2.693 10.052 ( -4.820 -4.820 4.831) 8.354 10.127 ( 2.824 2.824 -2.780) 4.866 10.163 ( 0.877 0.877 4.989) 5.141 10.268 ( -0.130 -0.130 -0.845) 0.865 10.334 ( 3.378 3.378 -0.294) 4.787 10.338 ( -5.056 -5.056 0.066) 7.150 10.372 ( -1.879 -1.879 -1.800) 3.209 10.523 ( 2.519 2.519 -0.725) 3.635 10.526 ( -1.208 -1.208 1.950) 2.593 10.603 ( -4.039 -4.039 -2.179) 6.114 10.605 ( -4.207 -4.207 2.731) 6.547 10.654 ( -4.582 -4.582 3.670) 7.447 10.714 ( 1.958 1.958 -2.453) 3.699 10.751 ( -0.664 -0.664 0.689) 1.166 10.796 ( -0.478 -0.478 2.496) 2.586 10.809 ( 1.178 1.178 5.454) 5.703 10.849 ( -0.246 -0.246 -0.015) 0.348 10.953 ( -1.043 -1.043 -3.532) 3.828 11.001 ( 2.483 2.483 0.942) 3.636 11.003 ( 2.899 2.899 -1.140) 4.256 11.038 ( 1.262 1.262 7.412) 7.624 11.101 ( -0.253 -0.253 3.812) 3.829 11.142 ( -1.041 -1.041 1.993) 2.477 11.165 ( 2.388 2.388 3.596) 4.933 11.246 ( -1.213 -1.213 3.956) 4.312 11.257 ( -1.617 -1.617 -3.555) 4.227 11.352 ( -2.207 -2.207 -2.896) 4.258 11.369 ( 2.218 2.218 2.557) 4.047 11.410 ( 0.986 0.986 0.101) 1.399 11.477 ( -1.845 -1.845 2.616) 3.695 11.539 ( -3.058 -3.058 5.759) 7.203 11.564 ( -4.125 -4.125 1.866) 6.124 11.604 ( 1.413 1.413 6.021) 6.344 11.634 ( 0.077 0.077 -1.985) 1.988 11.659 ( -0.619 -0.619 5.538) 5.606 11.676 ( -0.162 -0.162 -3.602) 3.610 11.762 ( 2.706 2.706 0.639) 3.879 11.775 ( 0.418 0.418 -4.608) 4.645 11.837 ( -2.800 -2.800 -9.779) 10.550 11.838 ( 7.168 7.168 2.312) 10.398 11.915 ( -2.730 -2.730 0.015) 3.861 11.925 ( 2.321 2.321 3.762) 4.993 11.991 ( 0.231 0.231 4.004) 4.018 12.047 ( 2.873 2.873 3.747) 5.527 12.100 ( 4.328 4.328 1.270) 6.251 12.241 ( -4.216 -4.216 4.554) 7.502 12.269 ( 0.855 0.855 0.973) 1.552 12.288 ( -1.756 -1.756 1.015) 2.682 12.401 ( -2.504 -2.504 0.183) 3.547 12.406 ( -1.089 -1.089 2.424) 2.872 12.450 ( -2.368 -2.368 5.930) 6.811 12.483 ( 1.560 1.560 0.583) 2.282 12.484 ( 0.652 0.652 1.250) 1.553 12.529 ( -3.289 -3.289 2.340) 5.206 12.543 ( 1.629 1.629 2.484) 3.388 12.573 ( 0.715 0.715 2.921) 3.091 12.600 ( -0.286 -0.286 1.213) 1.278 12.658 ( 0.666 0.666 10.517) 10.559 12.670 ( 0.998 0.998 4.524) 4.739 12.737 ( -1.584 -1.584 0.945) 2.431 12.741 ( 1.156 1.156 1.049) 1.943 12.783 ( -1.018 -1.018 6.450) 6.609 12.850 ( -2.228 -2.228 4.859) 5.791 12.939 ( -0.279 -0.279 3.744) 3.765 12.979 ( -0.030 -0.030 5.068) 5.068 13.137 ( 2.093 2.093 7.131) 7.721 13.182 ( -1.149 -1.149 -0.974) 1.894 13.188 ( 1.100 1.100 -2.510) 2.953 13.251 ( -3.294 -3.294 -0.280) 4.667 13.282 ( 0.123 0.123 -0.703) 0.724 13.350 ( 1.215 1.215 -1.583) 2.336 13.489 ( -1.646 -1.646 5.893) 6.336 13.596 ( 2.798 2.798 0.486) 3.987 13.647 ( 3.476 3.476 1.311) 5.088 13.736 ( 2.271 2.271 2.292) 3.945 13.842 ( 4.945 4.945 4.170) 8.142 13.863 ( -2.504 -2.504 0.639) 3.599 13.908 ( 2.804 2.804 0.744) 4.035 13.977 ( -6.275 -6.275 -1.322) 8.973 14.032 ( 1.913 1.913 0.075) 2.706 14.056 ( 2.126 2.126 -0.572) 3.060 14.253 ( 1.484 1.484 -0.260) 2.114 14.255 ( 2.704 2.704 -3.482) 5.171 14.310 ( -2.210 -2.210 0.845) 3.237 14.324 ( 0.509 0.509 -3.189) 3.269 14.359 ( -0.646 -0.646 -3.575) 3.690 14.440 ( -2.261 -2.261 -1.220) 3.422 14.467 ( 4.601 4.601 0.569) 6.531 14.516 ( -0.760 -0.760 1.101) 1.539 14.553 ( 4.608 4.608 -3.971) 7.631 14.605 ( -0.112 -0.112 2.481) 2.486 14.656 ( 0.098 0.098 0.755) 0.768 14.770 ( -0.933 -0.933 -3.344) 3.595 14.977 ( 9.136 9.136 0.846) 12.947 15.011 ( -13.395 -13.395 1.718) 19.022 15.301 ( 1.152 1.152 11.933) 12.043 15.314 ( -1.089 -1.089 1.271) 1.997 15.343 ( 0.776 0.776 3.532) 3.698 15.407 ( -1.218 -1.218 -2.428) 2.977 15.432 ( -1.178 -1.178 3.760) 4.112 15.465 ( -1.637 -1.637 1.469) 2.742 15.586 ( 0.970 0.970 -0.241) 1.393 15.594 ( -4.291 -4.291 15.426) 16.576 15.759 ( 0.283 0.283 1.812) 1.856 15.770 ( 0.657 0.657 2.619) 2.779 15.820 ( -0.064 -0.064 4.773) 4.774 15.848 ( -0.921 -0.921 1.791) 2.214 15.883 ( 1.492 1.492 5.609) 5.993 15.971 ( -0.449 -0.449 1.420) 1.556 16.123 ( -12.152 -12.152 0.093) 17.186 16.310 ( 11.718 11.718 -3.143) 16.868 16.529 ( 2.251 2.251 -2.584) 4.100 16.530 ( 1.231 1.231 -5.747) 6.005 16.605 ( 2.268 2.268 -5.660) 6.506 16.744 ( 0.431 0.431 -2.428) 2.503 16.984 ( -5.830 -5.830 -7.325) 11.029 17.686 ( 0.814 0.814 -3.327) 3.521 17.765 ( -3.331 -3.331 3.535) 5.890 17.802 ( 4.916 4.916 -5.918) 9.130 17.836 ( 1.736 1.736 -7.333) 7.733 17.897 ( -1.161 -1.161 -6.525) 6.728 17.980 ( -1.190 -1.190 -4.864) 5.147 18.137 ( 0.847 0.847 -9.276) 9.353 18.144 ( -0.817 -0.817 -9.100) 9.173 18.256 ( 0.601 0.601 -7.498) 7.546 18.271 ( -0.338 -0.338 -3.893) 3.923 18.309 ( 0.125 0.125 -5.056) 5.059 18.362 ( 2.623 2.623 -4.039) 5.484 18.363 ( -1.226 -1.226 -7.322) 7.525 18.457 ( -1.122 -1.122 -3.102) 3.484 18.653 ( 0.250 0.250 -5.459) 5.471 18.665 ( 0.099 0.099 -13.294) 13.294 18.890 ( 2.003 2.003 -6.880) 7.440 18.934 ( -0.770 -0.770 -7.795) 7.871 19.032 ( -1.468 -1.468 -6.807) 7.116 19.052 ( -0.912 -0.912 -7.030) 7.147 19.057 ( 2.351 2.351 -5.102) 6.090 19.122 ( -0.064 -0.064 -6.543) 6.544 19.180 ( 1.692 1.692 -6.146) 6.595 19.253 ( -2.163 -2.163 -8.239) 8.789 19.317 ( -3.314 -3.314 1.262) 4.854 19.371 ( -3.874 -3.874 -3.275) 6.383 19.533 ( 4.581 4.581 -2.336) 6.887 19.604 ( 2.867 2.867 -8.112) 9.068 19.712 ( 4.497 4.497 -7.620) 9.925 19.934 ( -1.616 -1.616 -6.531) 6.919 19.946 ( 6.877 6.877 -21.163) 23.290 20.260 ( -4.210 -4.210 -12.019) 13.413 20.308 ( -0.619 -0.619 -14.046) 14.073 20.363 ( -1.784 -1.784 -13.368) 13.604 20.393 ( 1.359 1.359 -7.833) 8.065 20.583 ( -9.098 -9.098 -2.366) 13.082 ======================= Grid point 32 (11/36) ======================= q-point: (-0.50 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -13.481 10.113 1.820) 16.951 1.140 ( 13.481 10.113 1.820) 16.951 1.428 ( -13.275 11.108 8.553) 19.307 1.428 ( 13.275 11.108 8.553) 19.307 1.669 ( -7.850 -5.740 4.799) 10.845 1.669 ( 7.850 -5.740 4.799) 10.845 1.813 ( -2.092 -0.134 0.473) 2.149 1.813 ( 2.092 -0.134 0.473) 2.149 1.995 ( -3.133 -6.520 5.425) 9.042 1.995 ( 3.133 -6.520 5.425) 9.042 2.047 ( -19.156 2.078 9.982) 21.701 2.047 ( 19.156 2.078 9.982) 21.701 2.225 ( -1.226 2.974 1.352) 3.489 2.225 ( 1.226 2.974 1.352) 3.489 2.297 ( -2.703 1.953 3.094) 4.550 2.297 ( 2.703 1.953 3.094) 4.550 2.435 ( -6.319 4.624 -0.067) 7.831 2.435 ( 6.319 4.624 -0.067) 7.831 2.591 ( -0.283 -5.113 0.495) 5.144 2.591 ( 0.283 -5.113 0.495) 5.144 2.688 ( -2.211 -5.450 -0.675) 5.920 2.688 ( 2.211 -5.450 -0.675) 5.920 3.081 ( -3.513 -2.225 -0.964) 4.269 3.081 ( 3.513 -2.225 -0.964) 4.269 3.671 ( -2.193 -6.355 18.098) 19.306 3.671 ( 2.193 -6.355 18.098) 19.306 4.251 ( -5.319 6.805 21.394) 23.072 4.251 ( 5.319 6.805 21.394) 23.072 5.215 ( -3.786 5.253 1.578) 6.664 5.215 ( 3.786 5.253 1.578) 6.664 5.421 ( -6.039 -1.195 2.443) 6.623 5.421 ( 6.039 -1.195 2.443) 6.623 5.512 ( -10.299 3.794 0.257) 10.978 5.512 ( 10.299 3.794 0.257) 10.978 5.684 ( -9.891 5.140 12.498) 16.747 5.684 ( 9.891 5.140 12.498) 16.747 5.897 ( -9.294 -6.398 12.160) 16.589 5.897 ( 9.294 -6.398 12.160) 16.589 6.167 ( -5.059 -2.683 7.600) 9.516 6.167 ( 5.059 -2.683 7.600) 9.516 6.445 ( -5.774 11.216 6.942) 14.399 6.445 ( 5.774 11.216 6.942) 14.399 6.674 ( -12.743 -3.927 9.050) 16.115 6.674 ( 12.743 -3.927 9.050) 16.115 6.934 ( -10.991 -1.514 0.077) 11.095 6.934 ( 10.991 -1.514 0.077) 11.095 6.986 ( -5.619 1.030 -1.820) 5.995 6.986 ( 5.619 1.030 -1.820) 5.995 7.040 ( -6.437 -0.041 2.264) 6.824 7.040 ( 6.437 -0.041 2.264) 6.824 7.252 ( -15.520 -14.696 8.938) 23.168 7.252 ( 15.520 -14.696 8.938) 23.168 7.338 ( -6.117 -7.441 -2.552) 9.965 7.338 ( 6.117 -7.441 -2.552) 9.965 7.548 ( -3.329 -0.101 -1.485) 3.647 7.548 ( 3.329 -0.101 -1.485) 3.647 7.769 ( -4.069 -0.513 2.836) 4.987 7.769 ( 4.069 -0.513 2.836) 4.987 7.914 ( -1.277 2.890 1.180) 3.373 7.914 ( 1.277 2.890 1.180) 3.373 8.003 ( -4.842 3.491 1.666) 6.197 8.003 ( 4.842 3.491 1.666) 6.197 8.167 ( -8.315 8.050 1.323) 11.649 8.167 ( 8.315 8.050 1.323) 11.649 8.318 ( -11.318 2.482 1.652) 11.704 8.318 ( 11.318 2.482 1.652) 11.704 8.534 ( -3.620 -5.841 -0.456) 6.887 8.534 ( 3.620 -5.841 -0.456) 6.887 8.592 ( -2.302 -2.022 2.956) 4.257 8.592 ( 2.302 -2.022 2.956) 4.257 8.724 ( -7.746 6.135 -2.380) 10.164 8.724 ( 7.746 6.135 -2.380) 10.164 8.982 ( -1.529 4.361 -0.371) 4.636 8.982 ( 1.529 4.361 -0.371) 4.636 9.044 ( -3.334 1.885 -0.489) 3.861 9.044 ( 3.334 1.885 -0.489) 3.861 9.172 ( -1.203 -4.429 -3.609) 5.839 9.172 ( 1.203 -4.429 -3.609) 5.839 9.362 ( -1.267 -2.983 0.841) 3.348 9.362 ( 1.267 -2.983 0.841) 3.348 9.503 ( -1.748 -3.509 2.284) 4.537 9.503 ( 1.748 -3.509 2.284) 4.537 9.648 ( -7.220 4.593 -0.194) 8.559 9.648 ( 7.220 4.593 -0.194) 8.559 9.802 ( -3.166 1.693 3.175) 4.793 9.802 ( 3.166 1.693 3.175) 4.793 9.942 ( -6.202 3.761 -0.736) 7.290 9.942 ( 6.202 3.761 -0.736) 7.290 10.053 ( -8.309 -4.410 0.005) 9.406 10.053 ( 8.309 -4.410 0.005) 9.406 10.182 ( -2.442 -5.006 4.409) 7.104 10.182 ( 2.442 -5.006 4.409) 7.104 10.335 ( -4.079 -1.058 1.350) 4.425 10.335 ( 4.079 -1.058 1.350) 4.425 10.458 ( -3.658 2.229 -3.528) 5.549 10.458 ( 3.658 2.229 -3.528) 5.549 10.560 ( -3.540 -1.215 3.285) 4.979 10.560 ( 3.540 -1.215 3.285) 4.979 10.604 ( -1.623 -1.581 1.028) 2.488 10.604 ( 1.623 -1.581 1.028) 2.488 10.728 ( -1.963 2.403 -1.092) 3.290 10.728 ( 1.963 2.403 -1.092) 3.290 10.809 ( -1.553 -1.106 -0.922) 2.118 10.809 ( 1.553 -1.106 -0.922) 2.118 10.854 ( -1.896 4.916 3.687) 6.431 10.854 ( 1.896 4.916 3.687) 6.431 11.042 ( -3.680 4.695 1.451) 6.140 11.042 ( 3.680 4.695 1.451) 6.140 11.082 ( -1.168 -0.193 4.508) 4.661 11.082 ( 1.168 -0.193 4.508) 4.661 11.157 ( -6.019 0.973 -1.546) 6.290 11.157 ( 6.019 0.973 -1.546) 6.290 11.267 ( -2.974 -1.972 0.836) 3.665 11.267 ( 2.974 -1.972 0.836) 3.665 11.367 ( -7.806 -7.018 -0.200) 10.499 11.367 ( 7.806 -7.018 -0.200) 10.499 11.440 ( -4.864 -1.099 4.304) 6.587 11.440 ( 4.864 -1.099 4.304) 6.587 11.482 ( -1.836 -3.570 4.165) 5.785 11.482 ( 1.836 -3.570 4.165) 5.785 11.620 ( -1.861 1.387 4.082) 4.696 11.620 ( 1.861 1.387 4.082) 4.696 11.680 ( -2.140 -0.285 -1.619) 2.698 11.680 ( 2.140 -0.285 -1.619) 2.698 11.773 ( -1.750 -0.284 -5.680) 5.950 11.773 ( 1.750 -0.284 -5.680) 5.950 11.846 ( -3.814 -2.582 -0.454) 4.629 11.846 ( 3.814 -2.582 -0.454) 4.629 11.955 ( -2.259 2.608 2.317) 4.156 11.955 ( 2.259 2.608 2.317) 4.156 12.041 ( -7.059 7.278 2.710) 10.495 12.041 ( 7.059 7.278 2.710) 10.495 12.142 ( -5.260 1.514 4.024) 6.794 12.142 ( 5.260 1.514 4.024) 6.794 12.304 ( -1.928 -0.068 -0.243) 1.944 12.304 ( 1.928 -0.068 -0.243) 1.944 12.371 ( -5.164 -3.291 0.271) 6.130 12.371 ( 5.164 -3.291 0.271) 6.130 12.428 ( -1.396 -2.844 2.684) 4.152 12.428 ( 1.396 -2.844 2.684) 4.152 12.513 ( -1.413 3.121 2.556) 4.274 12.513 ( 1.413 3.121 2.556) 4.274 12.590 ( -3.320 0.829 2.909) 4.491 12.590 ( 3.320 0.829 2.909) 4.491 12.597 ( -3.144 -1.318 3.514) 4.895 12.597 ( 3.144 -1.318 3.514) 4.895 12.725 ( -0.845 -2.415 5.145) 5.746 12.725 ( 0.845 -2.415 5.145) 5.746 12.766 ( -2.046 -1.639 3.387) 4.283 12.766 ( 2.046 -1.639 3.387) 4.283 12.872 ( -4.802 1.032 4.985) 6.998 12.872 ( 4.802 1.032 4.985) 6.998 13.037 ( -6.241 0.728 4.884) 7.958 13.037 ( 6.241 0.728 4.884) 7.958 13.208 ( -0.481 -2.908 1.140) 3.160 13.208 ( 0.481 -2.908 1.140) 3.160 13.246 ( -2.112 -2.108 -0.543) 3.033 13.246 ( 2.112 -2.108 -0.543) 3.033 13.424 ( -4.540 2.386 3.403) 6.155 13.424 ( 4.540 2.386 3.403) 6.155 13.674 ( -3.522 0.653 1.380) 3.839 13.674 ( 3.522 0.653 1.380) 3.839 13.772 ( -4.975 -0.758 -0.639) 5.073 13.772 ( 4.975 -0.758 -0.639) 5.073 13.889 ( -2.881 -1.286 2.671) 4.134 13.889 ( 2.881 -1.286 2.671) 4.134 14.036 ( -3.857 5.479 -1.214) 6.809 14.036 ( 3.857 5.479 -1.214) 6.809 14.144 ( -8.566 7.063 -1.036) 11.151 14.144 ( 8.566 7.063 -1.036) 11.151 14.302 ( -1.409 0.754 -0.279) 1.622 14.302 ( 1.409 0.754 -0.279) 1.622 14.331 ( -2.366 1.811 0.637) 3.047 14.331 ( 2.366 1.811 0.637) 3.047 14.427 ( -4.764 -4.057 -2.150) 6.616 14.427 ( 4.764 -4.057 -2.150) 6.616 14.596 ( -3.837 0.494 -0.345) 3.884 14.596 ( 3.837 0.494 -0.345) 3.884 14.685 ( -4.992 -1.218 -4.986) 7.160 14.685 ( 4.992 -1.218 -4.986) 7.160 14.765 ( -10.227 -10.542 2.216) 14.854 14.765 ( 10.227 -10.542 2.216) 14.854 15.180 ( -10.871 8.455 1.237) 13.827 15.180 ( 10.871 8.455 1.237) 13.827 15.339 ( -2.363 0.815 11.857) 12.117 15.339 ( 2.363 0.815 11.857) 12.117 15.400 ( -2.472 -0.125 1.817) 3.070 15.400 ( 2.472 -0.125 1.817) 3.070 15.467 ( -3.169 1.084 4.980) 6.001 15.467 ( 3.169 1.084 4.980) 6.001 15.705 ( -4.407 -3.977 5.696) 8.227 15.705 ( 4.407 -3.977 5.696) 8.227 15.816 ( -0.551 0.615 1.701) 1.891 15.816 ( 0.551 0.615 1.701) 1.891 15.903 ( -8.061 -8.661 0.726) 11.854 15.903 ( 8.061 -8.661 0.726) 11.854 15.947 ( -3.696 -0.644 1.687) 4.114 15.947 ( 3.696 -0.644 1.687) 4.114 16.492 ( -6.263 9.846 -4.335) 12.449 16.492 ( 6.263 9.846 -4.335) 12.449 16.567 ( -2.550 2.210 -3.455) 4.829 16.567 ( 2.550 2.210 -3.455) 4.829 16.849 ( -7.806 -5.024 -5.577) 10.830 16.849 ( 7.806 -5.024 -5.577) 10.830 17.718 ( -2.089 -0.237 -1.254) 2.448 17.718 ( 2.089 -0.237 -1.254) 2.448 17.866 ( -1.928 0.323 -6.754) 7.031 17.866 ( 1.928 0.323 -6.754) 7.031 17.912 ( -5.320 3.749 -5.730) 8.671 17.912 ( 5.320 3.749 -5.730) 8.671 18.142 ( -1.210 -2.612 -10.359) 10.752 18.142 ( 1.210 -2.612 -10.359) 10.752 18.265 ( -0.525 1.937 -4.969) 5.359 18.265 ( 0.525 1.937 -4.969) 5.359 18.328 ( -1.898 -0.469 -4.895) 5.271 18.328 ( 1.898 -0.469 -4.895) 5.271 18.417 ( -2.863 1.437 -3.656) 4.860 18.417 ( 2.863 1.437 -3.656) 4.860 18.660 ( -0.464 -0.915 -8.786) 8.846 18.660 ( 0.464 -0.915 -8.786) 8.846 18.924 ( -1.113 -0.896 -9.502) 9.609 18.924 ( 1.113 -0.896 -9.502) 9.609 19.020 ( -1.003 -1.151 -5.686) 5.887 19.020 ( 1.003 -1.151 -5.686) 5.887 19.103 ( -1.875 1.236 -6.014) 6.420 19.103 ( 1.875 1.236 -6.014) 6.420 19.227 ( -1.895 -0.770 -6.646) 6.954 19.227 ( 1.895 -0.770 -6.646) 6.954 19.300 ( -2.434 -4.355 -1.454) 5.197 19.300 ( 2.434 -4.355 -1.454) 5.197 19.603 ( -2.726 5.345 -4.080) 7.256 19.603 ( 2.726 5.345 -4.080) 7.256 19.827 ( -6.804 4.470 -9.801) 12.741 19.827 ( 6.804 4.470 -9.801) 12.741 20.130 ( -8.977 -2.152 -15.995) 18.467 20.130 ( 8.977 -2.152 -15.995) 18.467 20.321 ( -1.842 -2.186 -14.722) 14.997 20.321 ( 1.842 -2.186 -14.722) 14.997 20.450 ( -4.733 -1.323 -4.749) 6.834 20.450 ( 4.733 -1.323 -4.749) 6.834 ======================= Grid point 39 (12/36) ======================= q-point: (-0.50 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 34 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.000 0.000 -2.211) 2.211 1.269 ( 0.000 0.000 -2.211) 2.211 1.547 ( 0.000 0.000 5.502) 5.502 1.547 ( 0.000 0.000 5.502) 5.502 1.642 ( 0.000 0.000 7.375) 7.375 1.642 ( 0.000 0.000 7.375) 7.375 1.808 ( -0.000 -0.000 -0.327) 0.327 1.808 ( 0.000 0.000 -0.327) 0.327 1.859 ( -0.000 -0.000 11.935) 11.935 1.859 ( 0.000 0.000 11.935) 11.935 2.126 ( -0.000 -0.000 5.227) 5.227 2.126 ( 0.000 0.000 5.227) 5.227 2.252 ( -0.000 -0.000 -2.365) 2.365 2.252 ( 0.000 0.000 -2.365) 2.365 2.328 ( 0.000 0.000 4.862) 4.862 2.328 ( 0.000 0.000 4.862) 4.862 2.502 ( -0.000 -0.000 2.920) 2.920 2.502 ( 0.000 0.000 2.920) 2.920 2.503 ( 0.000 0.000 2.945) 2.945 2.503 ( 0.000 0.000 2.945) 2.945 2.608 ( 0.000 0.000 -1.240) 1.240 2.608 ( 0.000 0.000 -1.240) 1.240 3.054 ( 0.000 0.000 -1.612) 1.612 3.054 ( 0.000 0.000 -1.612) 1.612 3.606 ( 0.000 0.000 18.554) 18.554 3.606 ( 0.000 0.000 18.554) 18.554 4.320 ( 0.000 0.000 23.471) 23.471 4.320 ( 0.000 0.000 23.471) 23.471 5.276 ( 0.000 0.000 1.876) 1.876 5.276 ( 0.000 0.000 1.876) 1.876 5.412 ( 0.000 0.000 -0.630) 0.630 5.412 ( 0.000 0.000 -0.630) 0.630 5.624 ( 0.000 0.000 -0.827) 0.827 5.624 ( 0.000 0.000 -0.827) 0.827 5.632 ( -0.000 -0.000 7.270) 7.270 5.632 ( -0.000 -0.000 7.270) 7.270 5.940 ( 0.000 0.000 17.055) 17.055 5.940 ( 0.000 0.000 17.055) 17.055 6.064 ( -0.000 -0.000 7.805) 7.805 6.064 ( 0.000 0.000 7.805) 7.805 6.584 ( 0.000 0.000 11.337) 11.337 6.584 ( 0.000 0.000 11.337) 11.337 6.656 ( -0.000 -0.000 4.337) 4.337 6.656 ( 0.000 0.000 4.337) 4.337 6.877 ( -0.000 -0.000 6.246) 6.246 6.877 ( 0.000 0.000 6.246) 6.246 6.953 ( 0.000 0.000 -3.634) 3.634 6.953 ( 0.000 0.000 -3.634) 3.634 7.086 ( 0.000 0.000 8.307) 8.307 7.086 ( 0.000 0.000 8.307) 8.307 7.142 ( 0.000 0.000 -6.097) 6.097 7.142 ( 0.000 0.000 -6.097) 6.097 7.206 ( -0.000 -0.000 5.201) 5.201 7.206 ( -0.000 -0.000 5.201) 5.201 7.551 ( 0.000 0.000 -2.640) 2.640 7.551 ( 0.000 0.000 -2.640) 2.640 7.761 ( 0.000 0.000 3.163) 3.163 7.761 ( 0.000 0.000 3.163) 3.163 7.962 ( -0.000 -0.000 0.941) 0.941 7.962 ( 0.000 0.000 0.941) 0.941 8.004 ( 0.000 0.000 -0.533) 0.533 8.004 ( 0.000 0.000 -0.533) 0.533 8.281 ( -0.000 -0.000 6.934) 6.934 8.281 ( 0.000 0.000 6.934) 6.934 8.336 ( 0.000 0.000 -1.854) 1.854 8.336 ( 0.000 0.000 -1.854) 1.854 8.456 ( -0.000 -0.000 0.173) 0.173 8.456 ( 0.000 0.000 0.173) 0.173 8.582 ( 0.000 0.000 4.872) 4.872 8.582 ( 0.000 0.000 4.872) 4.872 8.833 ( 0.000 0.000 -12.338) 12.338 8.833 ( 0.000 0.000 -12.338) 12.338 8.981 ( -0.000 -0.000 1.550) 1.550 8.981 ( 0.000 0.000 1.550) 1.550 9.072 ( 0.000 0.000 -0.062) 0.062 9.072 ( 0.000 0.000 -0.062) 0.062 9.133 ( 0.000 0.000 -2.277) 2.277 9.133 ( 0.000 0.000 -2.277) 2.277 9.311 ( 0.000 0.000 5.610) 5.610 9.311 ( 0.000 0.000 5.610) 5.610 9.475 ( 0.000 0.000 0.646) 0.646 9.475 ( 0.000 0.000 0.646) 0.646 9.741 ( 0.000 0.000 -1.837) 1.837 9.741 ( 0.000 0.000 -1.837) 1.837 9.808 ( -0.000 -0.000 4.955) 4.955 9.808 ( 0.000 0.000 4.955) 4.955 9.960 ( 0.000 0.000 0.930) 0.930 9.960 ( 0.000 0.000 0.930) 0.930 9.988 ( -0.000 -0.000 0.823) 0.823 9.988 ( 0.000 0.000 0.823) 0.823 10.173 ( -0.000 -0.000 1.898) 1.898 10.173 ( 0.000 0.000 1.898) 1.898 10.285 ( 0.000 0.000 1.533) 1.533 10.285 ( 0.000 0.000 1.533) 1.533 10.465 ( 0.000 0.000 -1.587) 1.587 10.465 ( 0.000 0.000 -1.587) 1.587 10.520 ( 0.000 0.000 5.994) 5.994 10.520 ( 0.000 0.000 5.994) 5.994 10.631 ( 0.000 0.000 -3.310) 3.310 10.631 ( 0.000 0.000 -3.310) 3.310 10.738 ( 0.000 0.000 0.713) 0.713 10.738 ( 0.000 0.000 0.713) 0.713 10.830 ( 0.000 0.000 1.849) 1.849 10.830 ( 0.000 0.000 1.849) 1.849 10.925 ( 0.000 0.000 3.129) 3.129 10.925 ( 0.000 0.000 3.129) 3.129 11.047 ( 0.000 0.000 -1.442) 1.442 11.047 ( 0.000 0.000 -1.442) 1.442 11.128 ( 0.000 0.000 -2.169) 2.169 11.128 ( 0.000 0.000 -2.169) 2.169 11.154 ( -0.000 -0.000 0.535) 0.535 11.154 ( 0.000 0.000 0.535) 0.535 11.253 ( -0.000 -0.000 -1.895) 1.895 11.253 ( 0.000 0.000 -1.895) 1.895 11.260 ( -0.000 -0.000 5.260) 5.260 11.260 ( -0.000 -0.000 5.260) 5.260 11.417 ( 0.000 0.000 7.600) 7.600 11.417 ( 0.000 0.000 7.600) 7.600 11.470 ( 0.000 0.000 4.402) 4.402 11.470 ( -0.000 -0.000 4.402) 4.402 11.631 ( 0.000 0.000 6.320) 6.320 11.631 ( 0.000 0.000 6.320) 6.320 11.677 ( 0.000 0.000 -9.074) 9.074 11.677 ( 0.000 0.000 -9.074) 9.074 11.782 ( 0.000 0.000 -1.235) 1.235 11.782 ( 0.000 0.000 -1.235) 1.235 11.800 ( -0.000 -0.000 -1.066) 1.066 11.800 ( 0.000 0.000 -1.066) 1.066 11.962 ( 0.000 0.000 4.363) 4.363 11.962 ( 0.000 0.000 4.363) 4.363 12.159 ( 0.000 0.000 3.114) 3.114 12.159 ( 0.000 0.000 3.114) 3.114 12.190 ( 0.000 0.000 0.133) 0.133 12.190 ( 0.000 0.000 0.133) 0.133 12.262 ( -0.000 -0.000 1.235) 1.235 12.262 ( 0.000 0.000 1.235) 1.235 12.321 ( 0.000 0.000 -0.857) 0.857 12.321 ( 0.000 0.000 -0.857) 0.857 12.392 ( -0.000 -0.000 0.981) 0.981 12.392 ( 0.000 0.000 0.981) 0.981 12.538 ( -0.000 -0.000 3.849) 3.849 12.538 ( 0.000 0.000 3.849) 3.849 12.578 ( -0.000 -0.000 1.448) 1.448 12.578 ( 0.000 0.000 1.448) 1.448 12.634 ( 0.000 0.000 7.577) 7.577 12.634 ( 0.000 0.000 7.577) 7.577 12.711 ( 0.000 0.000 2.948) 2.948 12.711 ( 0.000 0.000 2.948) 2.948 12.723 ( -0.000 -0.000 0.931) 0.931 12.723 ( -0.000 -0.000 0.931) 0.931 12.928 ( 0.000 0.000 4.919) 4.919 12.928 ( 0.000 0.000 4.919) 4.919 12.976 ( -0.000 -0.000 5.737) 5.737 12.976 ( 0.000 0.000 5.737) 5.737 13.206 ( -0.000 -0.000 -0.416) 0.416 13.206 ( 0.000 0.000 -0.416) 0.416 13.213 ( 0.000 0.000 3.971) 3.971 13.213 ( 0.000 0.000 3.971) 3.971 13.455 ( 0.000 0.000 7.357) 7.357 13.455 ( 0.000 0.000 7.357) 7.357 13.700 ( 0.000 0.000 -4.933) 4.933 13.700 ( 0.000 0.000 -4.933) 4.933 13.732 ( -0.000 -0.000 -0.655) 0.655 13.732 ( 0.000 0.000 -0.655) 0.655 13.880 ( 0.000 0.000 4.411) 4.411 13.880 ( 0.000 0.000 4.411) 4.411 14.112 ( 0.000 0.000 -2.625) 2.625 14.112 ( 0.000 0.000 -2.625) 2.625 14.249 ( -0.000 -0.000 0.744) 0.744 14.249 ( 0.000 0.000 0.744) 0.744 14.322 ( -0.000 -0.000 0.046) 0.046 14.322 ( -0.000 -0.000 0.046) 0.046 14.326 ( -0.000 -0.000 -4.997) 4.997 14.326 ( 0.000 0.000 -4.997) 4.997 14.413 ( 0.000 0.000 -0.072) 0.072 14.413 ( 0.000 0.000 -0.072) 0.072 14.518 ( -0.000 -0.000 4.007) 4.007 14.518 ( 0.000 0.000 4.007) 4.007 14.677 ( 0.000 0.000 2.067) 2.067 14.677 ( 0.000 0.000 2.067) 2.067 14.681 ( 0.000 0.000 -6.422) 6.422 14.681 ( 0.000 0.000 -6.422) 6.422 15.277 ( 0.000 0.000 2.117) 2.117 15.277 ( 0.000 0.000 2.117) 2.117 15.333 ( 0.000 0.000 15.493) 15.493 15.333 ( 0.000 0.000 15.493) 15.493 15.390 ( 0.000 0.000 2.083) 2.083 15.390 ( 0.000 0.000 2.083) 2.083 15.547 ( 0.000 0.000 6.275) 6.275 15.547 ( 0.000 0.000 6.275) 6.275 15.607 ( 0.000 0.000 0.350) 0.350 15.607 ( 0.000 0.000 0.350) 0.350 15.790 ( 0.000 0.000 4.907) 4.907 15.790 ( 0.000 0.000 4.907) 4.907 15.822 ( 0.000 0.000 -0.043) 0.043 15.822 ( 0.000 0.000 -0.043) 0.043 15.965 ( 0.000 0.000 0.564) 0.564 15.965 ( 0.000 0.000 0.564) 0.564 16.549 ( 0.000 0.000 -4.438) 4.438 16.549 ( 0.000 0.000 -4.438) 4.438 16.681 ( -0.000 -0.000 -5.304) 5.304 16.681 ( 0.000 0.000 -5.304) 5.304 16.745 ( 0.000 0.000 -3.598) 3.598 16.745 ( 0.000 0.000 -3.598) 3.598 17.721 ( 0.000 0.000 -1.919) 1.919 17.721 ( 0.000 0.000 -1.919) 1.919 17.869 ( 0.000 0.000 -6.974) 6.974 17.869 ( 0.000 0.000 -6.974) 6.974 17.959 ( 0.000 0.000 -5.050) 5.050 17.959 ( 0.000 0.000 -5.050) 5.050 18.108 ( 0.000 0.000 -11.722) 11.722 18.108 ( 0.000 0.000 -11.722) 11.722 18.288 ( 0.000 0.000 -4.461) 4.461 18.288 ( 0.000 0.000 -4.461) 4.461 18.319 ( -0.000 -0.000 -4.570) 4.570 18.319 ( 0.000 0.000 -4.570) 4.570 18.433 ( 0.000 0.000 -3.621) 3.621 18.433 ( 0.000 0.000 -3.621) 3.621 18.648 ( 0.000 0.000 -10.426) 10.426 18.648 ( 0.000 0.000 -10.426) 10.426 18.919 ( 0.000 0.000 -9.340) 9.340 18.919 ( 0.000 0.000 -9.340) 9.340 19.000 ( 0.000 0.000 -4.760) 4.760 19.000 ( 0.000 0.000 -4.760) 4.760 19.122 ( 0.000 0.000 -5.545) 5.545 19.122 ( 0.000 0.000 -5.545) 5.545 19.232 ( 0.000 0.000 0.023) 0.023 19.232 ( 0.000 0.000 0.023) 0.023 19.241 ( -0.000 -0.000 -8.194) 8.194 19.241 ( 0.000 0.000 -8.194) 8.194 19.653 ( 0.000 0.000 -3.691) 3.691 19.653 ( 0.000 0.000 -3.691) 3.691 19.890 ( 0.000 0.000 -8.511) 8.511 19.890 ( 0.000 0.000 -8.511) 8.511 20.099 ( 0.000 0.000 -16.883) 16.883 20.099 ( -0.000 -0.000 -16.883) 16.883 20.291 ( -0.000 -0.000 -18.394) 18.394 20.291 ( 0.000 0.000 -18.394) 18.394 20.436 ( 0.000 0.000 -3.316) 3.316 20.436 ( 0.000 0.000 -3.316) 3.316 ======================= Grid point 50 (13/36) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.000 0.000 13.604) 13.604 0.710 ( -0.000 0.000 13.604) 13.604 1.361 ( 0.000 0.000 0.461) 0.461 1.579 ( 0.000 0.000 16.788) 16.788 1.742 ( 0.000 0.000 2.028) 2.028 1.742 ( 0.000 0.000 2.028) 2.028 1.823 ( 0.000 0.000 -1.200) 1.200 1.946 ( 0.000 -0.000 4.386) 4.386 1.946 ( 0.000 0.000 4.386) 4.386 1.974 ( 0.000 0.000 -7.764) 7.764 2.161 ( 0.000 0.000 0.911) 0.911 2.223 ( -0.000 0.000 4.431) 4.431 2.242 ( 0.000 0.000 9.171) 9.171 2.242 ( -0.000 0.000 9.171) 9.171 2.255 ( -0.000 0.000 6.111) 6.111 2.500 ( -0.000 -0.000 -2.056) 2.056 2.500 ( 0.000 0.000 -2.056) 2.056 2.520 ( 0.000 -0.000 13.713) 13.713 2.700 ( 0.000 0.000 0.996) 0.996 2.700 ( -0.000 -0.000 0.996) 0.996 2.764 ( -0.000 0.000 5.217) 5.217 2.845 ( 0.000 0.000 -3.212) 3.212 3.002 ( 0.000 0.000 2.504) 2.504 3.261 ( 0.000 0.000 -0.251) 0.251 4.160 ( -0.000 0.000 22.655) 22.655 4.160 ( -0.000 -0.000 22.655) 22.655 4.220 ( 0.000 0.000 21.435) 21.435 5.051 ( -0.000 -0.000 -0.866) 0.866 5.238 ( -0.000 -0.000 41.097) 41.097 5.239 ( -0.000 0.000 1.285) 1.285 5.239 ( 0.000 0.000 1.285) 1.285 5.412 ( 0.000 0.000 14.466) 14.466 5.412 ( 0.000 0.000 14.466) 14.466 5.873 ( -0.000 -0.000 3.424) 3.424 6.059 ( 0.000 0.000 30.182) 30.182 6.123 ( 0.000 0.000 4.226) 4.226 6.123 ( 0.000 0.000 4.226) 4.226 6.294 ( 0.000 0.000 14.434) 14.434 6.330 ( 0.000 0.000 -2.651) 2.651 6.455 ( -0.000 0.000 11.240) 11.240 6.635 ( 0.000 0.000 13.005) 13.005 6.635 ( 0.000 0.000 13.005) 13.005 6.639 ( -0.000 0.000 25.982) 25.982 6.715 ( 0.000 0.000 8.667) 8.667 6.764 ( 0.000 0.000 -5.976) 5.976 6.764 ( 0.000 0.000 -5.976) 5.976 7.091 ( -0.000 0.000 -5.306) 5.306 7.107 ( 0.000 0.000 24.041) 24.041 7.110 ( 0.000 0.000 3.186) 3.186 7.110 ( 0.000 0.000 3.186) 3.186 7.491 ( 0.000 0.000 16.070) 16.070 7.491 ( -0.000 -0.000 16.070) 16.070 7.529 ( 0.000 0.000 -5.299) 5.299 7.529 ( 0.000 0.000 -5.299) 5.299 7.547 ( 0.000 0.000 10.982) 10.982 7.639 ( -0.000 -0.000 2.340) 2.340 7.639 ( -0.000 -0.000 2.340) 2.340 7.785 ( 0.000 0.000 13.538) 13.538 7.885 ( 0.000 0.000 4.787) 4.787 7.941 ( -0.000 -0.000 -1.451) 1.451 8.041 ( 0.000 0.000 -2.197) 2.197 8.100 ( 0.000 0.000 10.971) 10.971 8.261 ( -0.000 0.000 13.229) 13.229 8.354 ( 0.000 0.000 -8.278) 8.278 8.354 ( 0.000 0.000 -8.278) 8.278 8.568 ( 0.000 0.000 5.082) 5.082 8.568 ( 0.000 0.000 5.082) 5.082 8.590 ( 0.000 0.000 -0.756) 0.756 8.693 ( 0.000 0.000 13.096) 13.096 8.703 ( 0.000 0.000 0.705) 0.705 8.703 ( 0.000 0.000 0.705) 0.705 8.724 ( 0.000 0.000 7.028) 7.028 8.798 ( 0.000 0.000 0.751) 0.751 8.955 ( 0.000 0.000 -11.672) 11.672 9.079 ( 0.000 0.000 5.315) 5.315 9.097 ( 0.000 0.000 -3.511) 3.511 9.147 ( 0.000 0.000 -2.288) 2.288 9.283 ( -0.000 -0.000 0.136) 0.136 9.283 ( -0.000 -0.000 0.136) 0.136 9.322 ( -0.000 -0.000 2.989) 2.989 9.322 ( 0.000 0.000 2.989) 2.989 9.419 ( 0.000 0.000 -7.973) 7.973 9.507 ( 0.000 0.000 -3.785) 3.785 9.507 ( 0.000 0.000 -3.785) 3.785 9.666 ( -0.000 0.000 7.542) 7.542 9.826 ( -0.000 0.000 12.939) 12.939 9.844 ( 0.000 0.000 0.068) 0.068 10.051 ( -0.000 -0.000 2.068) 2.068 10.051 ( 0.000 0.000 2.068) 2.068 10.177 ( -0.000 0.000 -1.025) 1.025 10.177 ( -0.000 0.000 -1.025) 1.025 10.177 ( 0.000 0.000 4.732) 4.732 10.323 ( 0.000 0.000 -9.191) 9.191 10.400 ( 0.000 0.000 -0.945) 0.945 10.400 ( 0.000 0.000 -0.945) 0.945 10.454 ( 0.000 0.000 -1.594) 1.594 10.604 ( 0.000 0.000 -0.315) 0.315 10.604 ( 0.000 0.000 -0.315) 0.315 10.686 ( 0.000 0.000 -10.588) 10.588 10.726 ( 0.000 0.000 7.412) 7.412 10.781 ( -0.000 0.000 -4.885) 4.885 10.781 ( 0.000 0.000 -4.885) 4.885 10.816 ( 0.000 0.000 -0.546) 0.546 10.866 ( 0.000 0.000 2.571) 2.571 10.904 ( 0.000 0.000 10.925) 10.925 10.933 ( -0.000 0.000 3.022) 3.022 10.933 ( 0.000 0.000 3.022) 3.022 11.028 ( -0.000 0.000 3.651) 3.651 11.178 ( 0.000 0.000 -9.380) 9.380 11.258 ( 0.000 -0.000 1.854) 1.854 11.258 ( 0.000 0.000 1.854) 1.854 11.259 ( 0.000 0.000 2.100) 2.100 11.300 ( 0.000 0.000 -2.251) 2.251 11.340 ( 0.000 0.000 1.146) 1.146 11.340 ( 0.000 0.000 1.146) 1.146 11.348 ( 0.000 0.000 16.933) 16.933 11.395 ( 0.000 0.000 2.847) 2.847 11.451 ( 0.000 0.000 20.933) 20.933 11.489 ( 0.000 0.000 -9.817) 9.817 11.570 ( 0.000 0.000 0.748) 0.748 11.570 ( 0.000 0.000 0.748) 0.748 11.619 ( 0.000 0.000 -7.890) 7.890 11.720 ( 0.000 0.000 4.864) 4.864 11.720 ( 0.000 0.000 4.864) 4.864 11.784 ( 0.000 0.000 13.686) 13.686 11.871 ( -0.000 -0.000 9.075) 9.075 11.912 ( 0.000 0.000 6.282) 6.282 11.912 ( 0.000 0.000 6.282) 6.282 11.919 ( 0.000 -0.000 4.823) 4.823 11.997 ( -0.000 0.000 3.551) 3.551 11.997 ( 0.000 0.000 3.551) 3.551 12.034 ( 0.000 0.000 1.231) 1.231 12.066 ( 0.000 0.000 2.506) 2.506 12.369 ( 0.000 0.000 -3.060) 3.060 12.447 ( -0.000 0.000 6.358) 6.358 12.447 ( 0.000 -0.000 6.358) 6.358 12.461 ( -0.000 0.000 9.111) 9.111 12.521 ( 0.000 0.000 -2.543) 2.543 12.533 ( 0.000 0.000 3.661) 3.661 12.533 ( 0.000 0.000 3.661) 3.661 12.585 ( 0.000 0.000 -7.937) 7.937 12.591 ( 0.000 0.000 2.430) 2.430 12.599 ( 0.000 0.000 -0.900) 0.900 12.604 ( 0.000 0.000 0.974) 0.974 12.604 ( 0.000 0.000 0.974) 0.974 12.727 ( 0.000 0.000 8.055) 8.055 12.727 ( -0.000 -0.000 8.055) 8.055 12.766 ( -0.000 0.000 15.292) 15.292 12.914 ( -0.000 0.000 20.270) 20.270 12.950 ( 0.000 0.000 -8.861) 8.861 12.976 ( 0.000 0.000 3.201) 3.201 12.976 ( -0.000 0.000 3.201) 3.201 13.030 ( 0.000 0.000 3.923) 3.923 13.080 ( 0.000 0.000 5.499) 5.499 13.080 ( 0.000 0.000 5.499) 5.499 13.229 ( 0.000 0.000 1.746) 1.746 13.313 ( 0.000 0.000 -3.361) 3.361 13.313 ( 0.000 0.000 -3.361) 3.361 13.355 ( -0.000 0.000 13.956) 13.956 13.600 ( 0.000 0.000 1.519) 1.519 13.600 ( -0.000 0.000 1.519) 1.519 13.662 ( 0.000 0.000 4.722) 4.722 13.681 ( -0.000 0.000 10.495) 10.495 13.895 ( 0.000 0.000 8.118) 8.118 13.920 ( -0.000 0.000 -0.952) 0.952 13.949 ( -0.000 0.000 -0.050) 0.050 13.949 ( 0.000 0.000 -0.050) 0.050 14.016 ( 0.000 0.000 1.013) 1.013 14.016 ( -0.000 0.000 1.013) 1.013 14.134 ( -0.000 -0.000 -7.369) 7.369 14.223 ( 0.000 0.000 -3.053) 3.053 14.223 ( 0.000 0.000 -3.053) 3.053 14.376 ( -0.000 -0.000 -2.841) 2.841 14.413 ( 0.000 0.000 4.582) 4.582 14.489 ( 0.000 0.000 6.220) 6.220 14.489 ( 0.000 0.000 6.220) 6.220 14.540 ( -0.000 0.000 3.463) 3.463 14.576 ( -0.000 0.000 1.410) 1.410 14.576 ( 0.000 0.000 1.410) 1.410 14.635 ( 0.000 0.000 -3.511) 3.511 14.738 ( 0.000 0.000 8.534) 8.534 14.952 ( 0.000 0.000 3.063) 3.063 15.217 ( 0.000 0.000 -6.240) 6.240 15.217 ( -0.000 0.000 -6.240) 6.240 15.264 ( -0.000 0.000 -6.773) 6.773 15.486 ( 0.000 0.000 3.351) 3.351 15.486 ( -0.000 -0.000 3.351) 3.351 15.505 ( 0.000 0.000 13.034) 13.034 15.616 ( -0.000 -0.000 -1.341) 1.341 15.646 ( 0.000 0.000 5.659) 5.659 15.646 ( 0.000 0.000 5.659) 5.659 15.790 ( 0.000 0.000 -0.113) 0.113 15.790 ( 0.000 0.000 -0.113) 0.113 15.810 ( 0.000 0.000 -7.483) 7.483 15.940 ( -0.000 0.000 5.574) 5.574 16.041 ( 0.000 0.000 7.675) 7.675 16.041 ( 0.000 0.000 7.675) 7.675 16.103 ( 0.000 0.000 7.494) 7.494 16.336 ( 0.000 0.000 -8.795) 8.795 16.386 ( -0.000 -0.000 -3.654) 3.654 16.386 ( 0.000 0.000 -3.654) 3.654 16.444 ( 0.000 0.000 -8.289) 8.289 16.705 ( 0.000 0.000 -0.992) 0.992 16.882 ( 0.000 0.000 -14.893) 14.893 17.513 ( 0.000 0.000 -11.211) 11.211 17.513 ( -0.000 0.000 -11.211) 11.211 17.589 ( 0.000 0.000 -13.505) 13.505 17.757 ( -0.000 0.000 -11.236) 11.236 17.823 ( 0.000 -0.000 -13.430) 13.430 17.908 ( 0.000 0.000 -14.705) 14.705 17.968 ( 0.000 -0.000 -8.506) 8.506 17.968 ( -0.000 -0.000 -8.506) 8.506 17.995 ( 0.000 0.000 -16.204) 16.204 18.120 ( 0.000 0.000 -10.785) 10.785 18.120 ( -0.000 0.000 -10.785) 10.785 18.158 ( -0.000 0.000 -23.967) 23.967 18.228 ( -0.000 -0.000 -4.444) 4.444 18.228 ( -0.000 0.000 -4.444) 4.444 18.446 ( 0.000 0.000 -19.277) 19.277 18.447 ( 0.000 0.000 -3.076) 3.076 18.790 ( 0.000 0.000 -6.627) 6.627 18.895 ( -0.000 0.000 1.345) 1.345 18.896 ( 0.000 0.000 -5.830) 5.830 18.896 ( 0.000 0.000 -5.830) 5.830 18.935 ( -0.000 0.000 -12.113) 12.113 18.945 ( 0.000 0.000 -8.752) 8.752 18.954 ( -0.000 0.000 -14.176) 14.176 19.057 ( 0.000 0.000 -22.734) 22.734 19.199 ( 0.000 0.000 -9.526) 9.526 19.199 ( 0.000 0.000 -9.526) 9.526 19.373 ( 0.000 0.000 -9.146) 9.146 19.425 ( 0.000 0.000 -11.439) 11.439 19.541 ( 0.000 0.000 -4.772) 4.772 19.541 ( 0.000 0.000 -4.772) 4.772 19.826 ( 0.000 0.000 -10.673) 10.673 20.003 ( -0.000 0.000 -19.305) 19.305 20.003 ( 0.000 0.000 -19.305) 19.305 20.125 ( 0.000 0.000 -15.512) 15.512 20.125 ( 0.000 0.000 -15.512) 15.512 20.637 ( 0.000 0.000 -23.717) 23.717 ======================= Grid point 51 (14/36) ======================= q-point: ( 0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 12.192 0.000 9.531) 15.475 1.041 ( 24.784 0.000 6.568) 25.639 1.353 ( -5.796 0.000 3.249) 6.645 1.562 ( -2.815 0.000 6.759) 7.322 1.671 ( 0.448 0.000 -0.997) 1.093 1.804 ( 1.399 0.000 0.517) 1.492 1.848 ( 5.758 0.000 3.242) 6.608 1.899 ( -4.177 0.000 3.873) 5.696 1.940 ( 2.233 0.000 7.375) 7.705 2.109 ( 8.587 0.000 -5.401) 10.145 2.147 ( 0.431 0.000 2.572) 2.607 2.214 ( -1.215 0.000 4.921) 5.069 2.235 ( 1.804 0.000 4.898) 5.220 2.261 ( 1.503 0.000 7.969) 8.109 2.352 ( 5.579 0.000 9.231) 10.786 2.460 ( -4.148 0.000 -1.507) 4.413 2.463 ( -4.101 0.000 2.909) 5.028 2.528 ( -1.689 0.000 8.986) 9.143 2.650 ( -3.176 0.000 5.552) 6.396 2.695 ( -0.196 0.000 0.542) 0.576 2.736 ( -2.837 0.000 4.381) 5.220 2.794 ( -4.659 0.000 -2.523) 5.298 3.024 ( 2.532 0.000 0.621) 2.607 3.205 ( -5.243 0.000 -0.243) 5.248 4.154 ( -0.327 0.000 22.150) 22.152 4.198 ( -2.017 0.000 21.324) 21.419 4.302 ( 13.524 0.000 22.091) 25.902 4.962 ( -18.295 0.000 33.028) 37.757 5.087 ( 3.723 0.000 -0.822) 3.813 5.245 ( -1.345 0.000 1.476) 1.997 5.336 ( 9.264 0.000 2.308) 9.547 5.444 ( 5.073 0.000 13.273) 14.210 5.592 ( 7.265 0.000 14.465) 16.186 5.802 ( -7.796 0.000 7.169) 10.592 5.901 ( -7.130 0.000 18.197) 19.544 6.194 ( 7.393 0.000 3.378) 8.128 6.255 ( 7.317 0.000 22.051) 23.234 6.291 ( 0.150 0.000 9.367) 9.368 6.309 ( -17.795 0.000 20.832) 27.398 6.352 ( 1.652 0.000 4.278) 4.586 6.555 ( -7.124 0.000 22.795) 23.882 6.610 ( -8.333 0.000 7.550) 11.245 6.650 ( 9.597 0.000 13.126) 16.260 6.729 ( 9.205 0.000 7.552) 11.907 6.811 ( 4.434 0.000 -3.217) 5.478 6.865 ( 7.999 0.000 -3.657) 8.795 7.045 ( 0.059 0.000 1.124) 1.126 7.060 ( -3.058 0.000 -1.992) 3.649 7.128 ( 0.468 0.000 1.349) 1.428 7.274 ( -7.537 0.000 16.489) 18.130 7.456 ( -3.934 0.000 6.211) 7.352 7.457 ( 1.467 0.000 4.694) 4.918 7.484 ( -2.714 0.000 -4.337) 5.116 7.519 ( -1.206 0.000 -6.930) 7.034 7.569 ( 4.018 0.000 9.989) 10.767 7.594 ( 4.040 0.000 20.681) 21.071 7.696 ( 5.093 0.000 -0.864) 5.166 7.850 ( 3.889 0.000 10.936) 11.607 7.902 ( -3.759 0.000 -4.225) 5.655 7.991 ( 3.794 0.000 3.037) 4.859 8.035 ( -8.401 0.000 5.360) 9.966 8.096 ( 7.438 0.000 5.230) 9.093 8.148 ( -5.436 0.000 11.738) 12.935 8.222 ( -8.747 0.000 2.988) 9.243 8.333 ( -12.153 0.000 8.922) 15.077 8.374 ( 2.755 0.000 -6.384) 6.953 8.619 ( 2.389 0.000 1.011) 2.594 8.636 ( -3.194 0.000 6.814) 7.525 8.650 ( 0.188 0.000 3.694) 3.699 8.715 ( -1.655 0.000 6.818) 7.016 8.723 ( 6.761 0.000 -3.548) 7.635 8.784 ( -2.678 0.000 3.228) 4.195 8.856 ( -14.351 0.000 -0.941) 14.382 8.918 ( 9.726 0.000 4.195) 10.592 8.979 ( -3.652 0.000 -2.062) 4.194 9.086 ( -0.085 0.000 -2.398) 2.399 9.092 ( 0.999 0.000 -4.074) 4.195 9.281 ( -4.657 0.000 -1.982) 5.062 9.308 ( 2.564 0.000 1.435) 2.938 9.396 ( 8.098 0.000 1.283) 8.199 9.401 ( 2.097 0.000 0.052) 2.098 9.499 ( 11.105 0.000 0.963) 11.147 9.532 ( 5.610 0.000 -0.832) 5.671 9.677 ( 7.461 0.000 -4.881) 8.915 9.702 ( 2.092 0.000 -0.063) 2.093 9.757 ( -7.998 0.000 1.815) 8.202 9.858 ( 4.045 0.000 9.441) 10.271 10.017 ( -3.358 0.000 1.297) 3.600 10.110 ( 5.364 0.000 2.473) 5.907 10.148 ( -3.271 0.000 -0.233) 3.279 10.201 ( 3.738 0.000 0.008) 3.738 10.235 ( 3.210 0.000 2.443) 4.034 10.302 ( -0.547 0.000 -7.449) 7.469 10.341 ( -4.689 0.000 -0.275) 4.697 10.363 ( -3.362 0.000 -1.186) 3.565 10.519 ( 3.769 0.000 -0.627) 3.821 10.586 ( -0.356 0.000 2.101) 2.131 10.634 ( 2.256 0.000 -3.898) 4.504 10.653 ( -5.121 0.000 -6.533) 8.301 10.655 ( -5.984 0.000 2.389) 6.444 10.717 ( -2.024 0.000 -6.617) 6.919 10.792 ( 1.448 0.000 2.921) 3.260 10.818 ( 0.363 0.000 1.145) 1.201 10.836 ( -4.711 0.000 6.879) 8.337 10.888 ( -3.751 0.000 6.202) 7.248 10.937 ( 1.339 0.000 2.468) 2.808 10.973 ( 5.577 0.000 -1.290) 5.724 10.994 ( -3.378 0.000 4.320) 5.484 11.063 ( -8.072 0.000 1.359) 8.186 11.146 ( -3.210 0.000 -6.834) 7.550 11.283 ( -1.484 0.000 -0.054) 1.485 11.300 ( 0.960 0.000 7.519) 7.580 11.302 ( -1.435 0.000 -1.095) 1.805 11.335 ( 5.649 0.000 4.231) 7.058 11.396 ( -0.506 0.000 12.076) 12.087 11.433 ( 5.480 0.000 6.415) 8.437 11.466 ( 2.149 0.000 8.571) 8.836 11.500 ( 10.429 0.000 0.101) 10.430 11.525 ( 2.203 0.000 -3.513) 4.147 11.549 ( 0.296 0.000 -2.113) 2.134 11.583 ( -0.082 0.000 0.968) 0.971 11.627 ( -2.216 0.000 -2.724) 3.512 11.685 ( -2.029 0.000 4.571) 5.001 11.755 ( 3.847 0.000 4.166) 5.670 11.763 ( -0.288 0.000 8.239) 8.244 11.836 ( -5.087 0.000 6.366) 8.149 11.891 ( 1.497 0.000 10.256) 10.364 11.902 ( -1.653 0.000 1.919) 2.533 11.926 ( -3.033 0.000 3.369) 4.533 11.987 ( 0.948 0.000 6.691) 6.758 12.056 ( 1.757 0.000 2.471) 3.031 12.086 ( 3.013 0.000 3.552) 4.657 12.087 ( 4.371 0.000 3.704) 5.729 12.337 ( -3.340 0.000 5.113) 6.107 12.337 ( -2.592 0.000 -1.149) 2.835 12.419 ( -8.544 0.000 5.309) 10.059 12.449 ( -3.910 0.000 3.725) 5.400 12.450 ( -0.341 0.000 2.959) 2.979 12.474 ( -3.837 0.000 0.331) 3.851 12.535 ( -1.065 0.000 -0.010) 1.065 12.552 ( 1.142 0.000 4.633) 4.772 12.554 ( -1.384 0.000 2.678) 3.015 12.592 ( -0.803 0.000 3.089) 3.192 12.657 ( 0.596 0.000 -1.664) 1.768 12.706 ( 4.231 0.000 4.494) 6.172 12.736 ( 5.517 0.000 4.099) 6.873 12.778 ( 2.771 0.000 6.147) 6.743 12.835 ( 4.137 0.000 11.983) 12.677 12.904 ( -4.365 0.000 1.852) 4.741 12.915 ( 0.422 0.000 14.969) 14.975 12.991 ( 1.447 0.000 0.823) 1.665 13.015 ( -0.284 0.000 2.829) 2.843 13.027 ( -0.035 0.000 3.849) 3.849 13.118 ( 3.510 0.000 0.773) 3.594 13.135 ( 5.224 0.000 6.829) 8.598 13.263 ( 2.055 0.000 0.968) 2.271 13.281 ( -3.292 0.000 -3.170) 4.570 13.282 ( -5.338 0.000 6.466) 8.385 13.317 ( 2.796 0.000 0.785) 2.904 13.596 ( -6.519 0.000 6.717) 9.361 13.656 ( 5.846 0.000 0.869) 5.910 13.678 ( 5.289 0.000 6.078) 8.057 13.735 ( 6.098 0.000 4.260) 7.439 13.915 ( 1.256 0.000 5.505) 5.646 13.923 ( -0.382 0.000 4.257) 4.274 13.953 ( 1.015 0.000 -2.440) 2.642 13.970 ( -0.458 0.000 2.426) 2.469 14.014 ( -1.954 0.000 0.836) 2.126 14.097 ( -7.486 0.000 -1.767) 7.692 14.102 ( 5.441 0.000 -0.574) 5.471 14.159 ( -2.239 0.000 -3.932) 4.525 14.175 ( 2.906 0.000 -6.099) 6.756 14.345 ( 0.579 0.000 -1.241) 1.369 14.362 ( -4.219 0.000 0.317) 4.231 14.460 ( -6.002 0.000 2.213) 6.397 14.505 ( 1.844 0.000 6.069) 6.343 14.531 ( 4.426 0.000 1.262) 4.603 14.587 ( -3.895 0.000 -3.097) 4.976 14.633 ( -1.635 0.000 4.479) 4.768 14.712 ( 6.049 0.000 1.049) 6.139 14.767 ( 8.520 0.000 4.034) 9.427 14.910 ( -0.849 0.000 1.619) 1.828 15.199 ( -5.455 0.000 -1.289) 5.605 15.241 ( -4.545 0.000 -4.217) 6.200 15.306 ( 5.298 0.000 -2.972) 6.074 15.357 ( -4.321 0.000 3.631) 5.644 15.482 ( -1.692 0.000 4.706) 5.001 15.516 ( 2.609 0.000 6.581) 7.079 15.523 ( -5.377 0.000 1.530) 5.590 15.631 ( -1.604 0.000 4.730) 4.995 15.739 ( 5.354 0.000 2.396) 5.866 15.787 ( 6.018 0.000 0.134) 6.019 15.806 ( 3.004 0.000 2.128) 3.681 15.944 ( 0.343 0.000 2.926) 2.946 15.974 ( 1.208 0.000 7.407) 7.505 16.029 ( -2.144 0.000 1.639) 2.699 16.040 ( 0.862 0.000 5.569) 5.636 16.110 ( 5.329 0.000 3.659) 6.464 16.259 ( -7.478 0.000 -5.026) 9.010 16.358 ( -3.110 0.000 -3.131) 4.413 16.419 ( 3.123 0.000 -6.302) 7.034 16.455 ( 0.979 0.000 -6.833) 6.903 16.700 ( 0.078 0.000 -3.435) 3.435 16.830 ( -4.767 0.000 -13.571) 14.383 17.556 ( 4.407 0.000 -11.753) 12.552 17.563 ( 4.844 0.000 -9.405) 10.579 17.615 ( 2.449 0.000 -13.303) 13.527 17.733 ( -2.313 0.000 -11.565) 11.794 17.804 ( -4.445 0.000 -9.097) 10.125 17.818 ( -6.687 0.000 -12.920) 14.549 17.908 ( -0.597 0.000 -10.007) 10.025 17.993 ( -1.522 0.000 -14.562) 14.641 18.024 ( 3.510 0.000 -10.033) 10.629 18.124 ( -0.455 0.000 -10.507) 10.517 18.150 ( 0.899 0.000 -15.101) 15.127 18.157 ( 2.133 0.000 -12.980) 13.155 18.237 ( 1.787 0.000 -4.628) 4.961 18.291 ( 4.125 0.000 -14.863) 15.425 18.405 ( -4.218 0.000 -3.847) 5.709 18.416 ( -2.902 0.000 -21.073) 21.271 18.796 ( 0.667 0.000 -5.245) 5.288 18.857 ( -2.039 0.000 -2.655) 3.347 18.899 ( 0.260 0.000 -6.356) 6.361 18.921 ( -0.022 0.000 -8.430) 8.430 18.924 ( -1.361 0.000 -8.658) 8.764 18.927 ( -0.933 0.000 -11.802) 11.839 18.979 ( 2.885 0.000 -11.103) 11.472 19.026 ( -0.351 0.000 -17.861) 17.865 19.270 ( 6.377 0.000 -8.345) 10.503 19.286 ( 3.400 0.000 -9.461) 10.054 19.324 ( -3.771 0.000 -8.298) 9.114 19.424 ( 3.397 0.000 -12.520) 12.973 19.505 ( -3.787 0.000 -5.426) 6.617 19.605 ( 4.016 0.000 -8.646) 9.533 19.767 ( -3.628 0.000 -14.228) 14.683 20.002 ( -5.287 0.000 -16.177) 17.019 20.016 ( 1.475 0.000 -18.480) 18.539 20.105 ( -2.024 0.000 -15.820) 15.949 20.119 ( 3.429 0.000 -16.176) 16.536 20.474 ( -13.314 0.000 -18.785) 23.025 ======================= Grid point 52 (15/36) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -15.917 0.000 5.107) 16.716 1.116 ( 15.917 0.000 5.107) 16.716 1.414 ( -13.392 0.000 3.149) 13.757 1.414 ( 13.392 0.000 3.149) 13.757 1.783 ( -7.691 0.000 1.369) 7.812 1.783 ( 7.691 0.000 1.369) 7.812 1.841 ( -2.671 0.000 -0.012) 2.671 1.841 ( 2.671 0.000 -0.012) 2.671 2.170 ( -6.265 0.000 1.582) 6.461 2.170 ( 6.265 0.000 1.582) 6.461 2.217 ( -14.657 0.000 7.666) 16.541 2.217 ( 14.657 0.000 7.666) 16.541 2.223 ( -3.330 0.000 2.069) 3.921 2.223 ( 3.330 0.000 2.069) 3.921 2.352 ( -6.740 0.000 1.178) 6.842 2.352 ( 6.740 0.000 1.178) 6.842 2.462 ( -3.845 0.000 13.591) 14.125 2.462 ( 3.845 0.000 13.591) 14.125 2.672 ( -3.436 0.000 4.047) 5.309 2.672 ( 3.436 0.000 4.047) 5.309 2.714 ( -2.731 0.000 -0.786) 2.842 2.714 ( 2.731 0.000 -0.786) 2.842 3.098 ( -5.179 0.000 -0.509) 5.204 3.098 ( 5.179 0.000 -0.509) 5.204 4.162 ( -1.331 0.000 21.446) 21.487 4.162 ( 1.331 0.000 21.446) 21.487 4.613 ( -18.094 0.000 25.856) 31.558 4.613 ( 18.094 0.000 25.856) 31.558 5.175 ( -4.944 0.000 0.708) 4.995 5.175 ( 4.944 0.000 0.708) 4.995 5.536 ( -10.186 0.000 4.838) 11.276 5.536 ( 10.186 0.000 4.838) 11.276 5.610 ( -10.978 0.000 10.551) 15.226 5.610 ( 10.978 0.000 10.551) 15.226 5.980 ( -13.973 0.000 24.114) 27.870 5.980 ( 13.973 0.000 24.114) 27.870 6.301 ( -0.563 0.000 4.648) 4.682 6.301 ( 0.563 0.000 4.648) 4.682 6.404 ( -8.179 0.000 24.888) 26.197 6.404 ( 8.179 0.000 24.888) 26.197 6.430 ( -9.034 0.000 8.916) 12.693 6.430 ( 9.034 0.000 8.916) 12.693 6.847 ( -5.615 0.000 1.612) 5.841 6.847 ( 5.615 0.000 1.612) 5.841 6.920 ( -7.791 0.000 -1.156) 7.877 6.920 ( 7.791 0.000 -1.156) 7.877 7.067 ( -7.090 0.000 1.736) 7.299 7.067 ( 7.090 0.000 1.736) 7.299 7.071 ( -6.725 0.000 11.267) 13.121 7.071 ( 6.725 0.000 11.267) 13.121 7.420 ( -2.382 0.000 0.144) 2.387 7.420 ( 2.382 0.000 0.144) 2.387 7.450 ( -1.480 0.000 -4.269) 4.518 7.450 ( 1.480 0.000 -4.269) 4.518 7.716 ( -6.516 0.000 6.641) 9.304 7.716 ( 6.516 0.000 6.641) 9.304 7.814 ( -10.891 0.000 7.054) 12.976 7.814 ( 10.891 0.000 7.054) 12.976 7.867 ( -4.356 0.000 1.630) 4.651 7.867 ( 4.356 0.000 1.630) 4.651 8.013 ( -3.638 0.000 7.599) 8.425 8.013 ( 3.638 0.000 7.599) 8.425 8.180 ( -3.519 0.000 8.931) 9.599 8.180 ( 3.519 0.000 8.931) 9.599 8.376 ( -10.842 0.000 8.786) 13.955 8.376 ( 10.842 0.000 8.786) 13.955 8.588 ( -8.908 0.000 -2.498) 9.252 8.588 ( 8.908 0.000 -2.498) 9.252 8.657 ( -1.745 0.000 2.982) 3.455 8.657 ( 1.745 0.000 2.982) 3.455 8.716 ( -3.447 0.000 4.299) 5.510 8.716 ( 3.447 0.000 4.299) 5.510 8.870 ( -7.011 0.000 -3.784) 7.966 8.870 ( 7.011 0.000 -3.784) 7.966 9.050 ( -4.302 0.000 2.110) 4.792 9.050 ( 4.302 0.000 2.110) 4.792 9.187 ( -5.829 0.000 -1.357) 5.985 9.187 ( 5.829 0.000 -1.357) 5.985 9.369 ( -3.308 0.000 1.549) 3.653 9.369 ( 3.308 0.000 1.549) 3.653 9.568 ( -9.628 0.000 1.272) 9.712 9.568 ( 9.628 0.000 1.272) 9.712 9.674 ( -5.832 0.000 -4.009) 7.077 9.674 ( 5.832 0.000 -4.009) 7.077 9.697 ( -5.773 0.000 0.460) 5.792 9.697 ( 5.773 0.000 0.460) 5.792 9.935 ( -4.618 0.000 4.491) 6.441 9.935 ( 4.618 0.000 4.491) 6.441 10.180 ( -7.778 0.000 -3.327) 8.459 10.180 ( 7.778 0.000 -3.327) 8.459 10.210 ( -3.627 0.000 0.564) 3.671 10.210 ( 3.627 0.000 0.564) 3.671 10.283 ( -1.658 0.000 0.677) 1.791 10.283 ( 1.658 0.000 0.677) 1.791 10.444 ( -7.855 0.000 -2.281) 8.179 10.444 ( 7.855 0.000 -2.281) 8.179 10.602 ( -0.932 0.000 4.708) 4.799 10.602 ( 0.932 0.000 4.708) 4.799 10.626 ( -2.478 0.000 -5.833) 6.338 10.626 ( 2.478 0.000 -5.833) 6.338 10.750 ( -1.198 0.000 5.094) 5.233 10.750 ( 1.198 0.000 5.094) 5.233 10.782 ( -4.728 0.000 -0.967) 4.826 10.782 ( 4.728 0.000 -0.967) 4.826 10.929 ( -5.550 0.000 3.466) 6.543 10.929 ( 5.550 0.000 3.466) 6.543 10.954 ( -0.444 0.000 2.831) 2.866 10.954 ( 0.444 0.000 2.831) 2.866 11.077 ( -4.030 0.000 -4.494) 6.036 11.077 ( 4.030 0.000 -4.494) 6.036 11.275 ( -0.835 0.000 0.258) 0.874 11.275 ( 0.835 0.000 0.258) 0.874 11.338 ( -3.288 0.000 9.881) 10.414 11.338 ( 3.288 0.000 9.881) 10.414 11.466 ( -4.197 0.000 3.683) 5.584 11.466 ( 4.197 0.000 3.683) 5.584 11.534 ( -4.122 0.000 2.596) 4.871 11.534 ( 4.122 0.000 2.596) 4.871 11.568 ( -2.619 0.000 0.811) 2.742 11.568 ( 2.619 0.000 0.811) 2.742 11.596 ( -4.623 0.000 0.527) 4.652 11.596 ( 4.623 0.000 0.527) 4.652 11.696 ( -8.730 0.000 4.879) 10.001 11.696 ( 8.730 0.000 4.879) 10.001 11.827 ( -5.200 0.000 3.806) 6.444 11.827 ( 5.200 0.000 3.806) 6.444 11.854 ( -3.974 0.000 1.298) 4.181 11.854 ( 3.974 0.000 1.298) 4.181 11.950 ( -3.442 0.000 8.273) 8.960 11.950 ( 3.442 0.000 8.273) 8.960 12.089 ( -2.274 0.000 3.612) 4.269 12.089 ( 2.274 0.000 3.612) 4.269 12.213 ( -8.976 0.000 5.270) 10.409 12.213 ( 8.976 0.000 5.270) 10.409 12.362 ( -4.838 0.000 -1.633) 5.106 12.362 ( 4.838 0.000 -1.633) 5.106 12.378 ( -3.219 0.000 4.714) 5.708 12.378 ( 3.219 0.000 4.714) 5.708 12.502 ( -2.497 0.000 3.352) 4.180 12.502 ( 2.497 0.000 3.352) 4.180 12.574 ( -1.103 0.000 5.008) 5.128 12.574 ( 1.103 0.000 5.008) 5.128 12.596 ( -5.065 0.000 0.057) 5.065 12.596 ( 5.065 0.000 0.057) 5.065 12.769 ( -3.018 0.000 5.345) 6.138 12.769 ( 3.018 0.000 5.345) 6.138 12.831 ( -3.174 0.000 5.192) 6.086 12.831 ( 3.174 0.000 5.192) 6.086 12.901 ( -2.336 0.000 10.952) 11.199 12.901 ( 2.336 0.000 10.952) 11.199 13.013 ( -0.452 0.000 1.982) 2.033 13.013 ( 0.452 0.000 1.982) 2.033 13.092 ( -6.566 0.000 5.421) 8.514 13.092 ( 6.566 0.000 5.421) 8.514 13.200 ( -4.758 0.000 -2.217) 5.249 13.200 ( 4.758 0.000 -2.217) 5.249 13.255 ( -1.489 0.000 2.184) 2.643 13.255 ( 1.489 0.000 2.184) 2.643 13.450 ( -8.261 0.000 4.879) 9.594 13.450 ( 8.261 0.000 4.879) 9.594 13.778 ( -3.760 0.000 4.699) 6.018 13.778 ( 3.760 0.000 4.699) 6.018 13.813 ( -9.962 0.000 1.085) 10.021 13.813 ( 9.962 0.000 1.085) 10.021 13.936 ( -1.290 0.000 2.227) 2.573 13.936 ( 1.290 0.000 2.227) 2.573 13.997 ( -5.820 0.000 0.828) 5.878 13.997 ( 5.820 0.000 0.828) 5.878 14.018 ( -2.939 0.000 0.338) 2.959 14.018 ( 2.939 0.000 0.338) 2.959 14.265 ( -5.585 0.000 -3.512) 6.597 14.265 ( 5.585 0.000 -3.512) 6.597 14.304 ( -7.533 0.000 -0.157) 7.534 14.304 ( 7.533 0.000 -0.157) 7.534 14.467 ( -7.632 0.000 -3.907) 8.574 14.467 ( 7.632 0.000 -3.907) 8.574 14.561 ( -3.972 0.000 5.258) 6.590 14.561 ( 3.972 0.000 5.258) 6.590 14.664 ( -7.579 0.000 -0.764) 7.617 14.664 ( 7.579 0.000 -0.764) 7.617 15.002 ( -14.284 0.000 1.173) 14.332 15.002 ( 14.284 0.000 1.173) 14.332 15.035 ( -10.296 0.000 2.435) 10.580 15.035 ( 10.296 0.000 2.435) 10.580 15.413 ( -5.121 0.000 1.729) 5.405 15.413 ( 5.121 0.000 1.729) 5.405 15.422 ( -5.377 0.000 1.806) 5.672 15.422 ( 5.377 0.000 1.806) 5.672 15.583 ( -3.393 0.000 4.093) 5.317 15.583 ( 3.393 0.000 4.093) 5.317 15.854 ( -5.668 0.000 4.576) 7.284 15.854 ( 5.668 0.000 4.576) 7.284 15.910 ( -6.528 0.000 6.617) 9.295 15.910 ( 6.528 0.000 6.617) 9.295 15.931 ( -6.379 0.000 1.341) 6.518 15.931 ( 6.379 0.000 1.341) 6.518 16.115 ( -6.268 0.000 -0.302) 6.275 16.115 ( 6.268 0.000 -0.302) 6.275 16.261 ( -7.264 0.000 -2.246) 7.604 16.261 ( 7.264 0.000 -2.246) 7.604 16.464 ( -0.728 0.000 -5.148) 5.199 16.464 ( 0.728 0.000 -5.148) 5.199 16.736 ( -4.092 0.000 -9.827) 10.645 16.736 ( 4.092 0.000 -9.827) 10.645 17.652 ( -2.460 0.000 -12.963) 13.194 17.652 ( 2.460 0.000 -12.963) 13.194 17.679 ( -6.988 0.000 -6.060) 9.250 17.679 ( 6.988 0.000 -6.060) 9.250 17.700 ( -2.822 0.000 -12.062) 12.388 17.700 ( 2.822 0.000 -12.062) 12.388 17.948 ( -2.967 0.000 -13.637) 13.956 17.948 ( 2.967 0.000 -13.637) 13.956 18.087 ( -3.002 0.000 -9.812) 10.261 18.087 ( 3.002 0.000 -9.812) 10.261 18.174 ( -0.761 0.000 -12.124) 12.148 18.174 ( 0.761 0.000 -12.124) 12.148 18.309 ( -5.183 0.000 -5.033) 7.224 18.309 ( 5.183 0.000 -5.033) 7.224 18.356 ( -3.038 0.000 -21.490) 21.703 18.356 ( 3.038 0.000 -21.490) 21.703 18.819 ( -1.756 0.000 -3.945) 4.318 18.819 ( 1.756 0.000 -3.945) 4.318 18.906 ( -0.554 0.000 -7.511) 7.531 18.906 ( 0.554 0.000 -7.511) 7.531 18.916 ( -0.044 0.000 -11.305) 11.305 18.916 ( 0.044 0.000 -11.305) 11.305 19.026 ( -1.161 0.000 -12.581) 12.634 19.026 ( 1.161 0.000 -12.581) 12.634 19.284 ( -0.342 0.000 -8.301) 8.308 19.284 ( 0.342 0.000 -8.301) 8.308 19.402 ( -6.770 0.000 -6.814) 9.605 19.402 ( 6.770 0.000 -6.814) 9.605 19.562 ( -7.644 0.000 -12.373) 14.544 19.562 ( 7.644 0.000 -12.373) 14.544 19.830 ( -9.379 0.000 -16.544) 19.017 19.830 ( 9.379 0.000 -16.544) 19.017 20.057 ( -2.636 0.000 -16.877) 17.082 20.057 ( 2.636 0.000 -16.877) 17.082 20.251 ( -9.460 0.000 -15.192) 17.897 20.251 ( 9.460 0.000 -15.192) 17.897 ======================= Grid point 56 (16/36) ======================= q-point: ( 0.25 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 10.028 10.028 5.238) 15.118 1.203 ( 11.426 11.426 4.459) 16.763 1.472 ( 6.040 6.040 5.000) 9.897 1.501 ( -0.214 -0.214 -0.029) 0.304 1.740 ( 1.715 1.715 4.729) 5.315 1.763 ( -1.069 -1.069 2.571) 2.983 1.792 ( -0.852 -0.852 -0.496) 1.303 1.867 ( -2.899 -2.899 1.338) 4.312 1.982 ( 3.842 3.842 7.966) 9.643 2.105 ( -2.595 -2.595 1.454) 3.947 2.140 ( -1.056 -1.056 2.976) 3.330 2.248 ( 7.271 7.271 -2.282) 10.533 2.262 ( 2.166 2.166 6.842) 7.496 2.332 ( -0.551 -0.551 2.408) 2.531 2.350 ( 1.624 1.624 10.905) 11.144 2.402 ( -1.149 -1.149 3.874) 4.201 2.509 ( -1.480 -1.480 11.354) 11.546 2.511 ( 0.814 0.814 -1.351) 1.776 2.628 ( -1.730 -1.730 6.958) 7.376 2.669 ( -2.374 -2.374 5.210) 6.198 2.704 ( -3.102 -3.102 -0.395) 4.404 2.760 ( -3.357 -3.357 -0.037) 4.748 3.021 ( 0.385 0.385 -0.110) 0.556 3.154 ( -4.726 -4.726 -0.399) 6.696 4.101 ( -2.361 -2.361 23.644) 23.879 4.156 ( -3.677 -3.677 22.477) 23.070 4.473 ( 13.828 13.828 20.740) 28.506 4.917 ( -5.296 -5.296 32.120) 32.981 5.135 ( 4.633 4.633 -0.757) 6.595 5.315 ( 1.753 1.753 3.159) 4.016 5.356 ( 5.372 5.372 1.091) 7.676 5.444 ( 1.371 1.371 10.748) 10.921 5.600 ( 0.450 0.450 15.323) 15.336 5.731 ( -4.915 -4.915 7.899) 10.523 5.964 ( -5.359 -5.359 7.267) 10.500 6.032 ( 2.880 2.880 20.679) 21.076 6.247 ( -2.620 -2.620 7.427) 8.300 6.260 ( -6.682 -6.682 18.158) 20.469 6.334 ( -0.595 -0.595 15.570) 15.592 6.434 ( -4.148 -4.148 17.650) 18.600 6.553 ( 8.197 8.197 15.204) 19.120 6.604 ( 7.311 7.311 2.911) 10.741 6.711 ( 2.105 2.105 15.644) 15.925 6.762 ( 3.740 3.740 7.251) 8.975 6.805 ( 2.257 2.257 -7.191) 7.868 6.934 ( 3.683 3.683 3.425) 6.234 7.038 ( -2.437 -2.437 -0.708) 3.518 7.068 ( 1.189 1.189 2.112) 2.700 7.073 ( -2.941 -2.941 -0.740) 4.224 7.269 ( -3.008 -3.008 16.672) 17.206 7.314 ( -9.122 -9.122 -2.635) 13.166 7.378 ( -9.626 -9.626 3.872) 14.153 7.482 ( 0.851 0.851 1.528) 1.945 7.498 ( -2.878 -2.878 -4.467) 6.043 7.510 ( 0.177 0.177 19.336) 19.338 7.655 ( 2.497 2.497 -5.430) 6.477 7.756 ( -3.400 -3.400 8.143) 9.456 7.819 ( -4.550 -4.550 -4.652) 7.941 7.963 ( 10.297 10.297 14.333) 20.432 8.000 ( 0.712 0.712 10.137) 10.187 8.033 ( 1.530 1.530 3.670) 4.261 8.084 ( -1.678 -1.678 10.664) 10.925 8.137 ( 6.309 6.309 4.607) 10.041 8.216 ( -3.309 -3.309 3.764) 6.005 8.364 ( 2.288 2.288 -5.434) 6.324 8.392 ( -3.421 -3.421 7.151) 8.634 8.565 ( -2.339 -2.339 -2.397) 4.086 8.598 ( -0.505 -0.505 2.011) 2.134 8.628 ( -3.514 -3.514 10.191) 11.338 8.645 ( 1.391 1.391 1.679) 2.586 8.706 ( -4.099 -4.099 2.526) 6.324 8.849 ( -5.664 -5.664 -4.053) 8.977 8.899 ( 4.533 4.533 -0.164) 6.412 8.935 ( 4.147 4.147 4.262) 7.250 9.028 ( 0.406 0.406 -1.821) 1.909 9.061 ( 0.663 0.663 -2.165) 2.359 9.078 ( 0.377 0.377 -0.413) 0.675 9.197 ( -3.038 -3.038 0.190) 4.300 9.358 ( 3.123 3.123 1.511) 4.668 9.386 ( 1.658 1.658 3.664) 4.350 9.469 ( 4.597 4.597 0.751) 6.544 9.507 ( 0.163 0.163 -0.664) 0.703 9.608 ( -1.228 -1.228 2.381) 2.947 9.666 ( 9.621 9.621 -2.077) 13.764 9.712 ( -2.349 -2.349 -3.404) 4.757 9.843 ( 4.012 4.012 -0.874) 5.741 9.878 ( 2.927 2.927 7.922) 8.938 10.020 ( -1.888 -1.888 2.124) 3.412 10.084 ( -0.006 -0.006 -1.720) 1.720 10.102 ( -4.345 -4.345 0.120) 6.146 10.231 ( 0.162 0.162 0.357) 0.424 10.261 ( 4.349 4.349 -0.860) 6.210 10.308 ( 2.879 2.879 -0.303) 4.082 10.331 ( -2.215 -2.215 0.152) 3.136 10.377 ( -2.043 -2.043 0.211) 2.897 10.503 ( 1.914 1.914 -1.168) 2.948 10.550 ( -3.013 -3.013 -3.215) 5.338 10.579 ( -3.257 -3.257 2.242) 5.123 10.632 ( -0.719 -0.719 -6.512) 6.591 10.656 ( -1.047 -1.047 0.955) 1.762 10.741 ( -2.344 -2.344 0.178) 3.320 10.750 ( 1.326 1.326 -3.670) 4.122 10.781 ( -3.791 -3.791 8.651) 10.178 10.872 ( -1.696 -1.696 1.976) 3.108 10.899 ( 0.855 0.855 3.050) 3.281 10.927 ( 0.619 0.619 1.968) 2.154 10.981 ( 1.907 1.907 -1.815) 3.251 11.003 ( 2.949 2.949 2.045) 4.645 11.118 ( -1.734 -1.734 -5.229) 5.775 11.155 ( 0.612 0.612 1.760) 1.961 11.213 ( -0.660 -0.660 -0.203) 0.956 11.268 ( -0.988 -0.988 6.129) 6.286 11.314 ( 0.767 0.767 4.066) 4.208 11.324 ( -0.027 -0.027 2.885) 2.885 11.332 ( -2.695 -2.695 9.939) 10.645 11.435 ( 0.067 0.067 3.117) 3.119 11.512 ( 2.609 2.609 12.482) 13.016 11.513 ( -1.600 -1.600 -8.391) 8.691 11.522 ( -0.540 -0.540 -4.401) 4.467 11.575 ( 2.501 2.501 7.470) 8.265 11.645 ( 1.909 1.909 3.963) 4.795 11.656 ( -1.536 -1.536 3.219) 3.883 11.711 ( -0.708 -0.708 1.696) 1.969 11.716 ( 3.441 3.441 2.648) 5.539 11.732 ( -1.453 -1.453 7.788) 8.054 11.790 ( -1.780 -1.780 1.475) 2.918 11.854 ( -0.975 -0.975 6.457) 6.602 11.912 ( 2.516 2.516 7.167) 8.002 11.940 ( -3.114 -3.114 1.774) 4.748 12.046 ( 4.527 4.527 7.587) 9.928 12.072 ( 1.086 1.086 3.573) 3.889 12.109 ( 2.254 2.254 2.473) 4.035 12.139 ( 3.948 3.948 3.421) 6.548 12.308 ( -4.398 -4.398 0.917) 6.287 12.328 ( -0.688 -0.688 4.100) 4.213 12.339 ( -1.434 -1.434 5.756) 6.103 12.397 ( -3.697 -3.697 0.169) 5.231 12.437 ( -3.397 -3.397 -2.107) 5.246 12.503 ( -2.383 -2.383 4.908) 5.954 12.515 ( 0.743 0.743 2.697) 2.895 12.551 ( -2.947 -2.947 2.665) 4.946 12.595 ( 0.941 0.941 2.427) 2.768 12.598 ( -0.409 -0.409 6.287) 6.313 12.636 ( 0.765 0.765 1.965) 2.243 12.666 ( 1.410 1.410 6.111) 6.428 12.691 ( 2.672 2.672 -0.555) 3.820 12.809 ( -3.869 -3.869 3.568) 6.532 12.858 ( 0.846 0.846 9.944) 10.015 12.898 ( -1.061 -1.061 10.628) 10.733 12.900 ( -0.326 -0.326 5.273) 5.293 12.964 ( -0.927 -0.927 7.553) 7.666 12.978 ( 0.053 0.053 1.096) 1.098 13.100 ( 2.212 2.212 6.764) 7.452 13.163 ( 3.258 3.258 0.764) 4.670 13.198 ( 4.374 4.374 4.353) 7.564 13.250 ( -0.952 -0.952 -2.630) 2.954 13.266 ( -1.972 -1.972 2.317) 3.626 13.293 ( 0.554 0.554 4.947) 5.008 13.352 ( 3.722 3.722 3.098) 6.108 13.610 ( -0.977 -0.977 6.175) 6.328 13.610 ( -0.492 -0.492 0.299) 0.757 13.685 ( 1.474 1.474 3.337) 3.934 13.774 ( 1.800 1.800 2.055) 3.272 13.915 ( -6.635 -6.635 4.035) 10.214 13.923 ( 1.016 1.016 0.608) 1.560 13.947 ( -1.208 -1.208 -1.209) 2.093 13.959 ( 1.898 1.898 6.526) 7.056 14.038 ( 1.401 1.401 -0.837) 2.151 14.041 ( 3.224 3.224 0.964) 4.660 14.178 ( 1.815 1.815 -6.269) 6.774 14.192 ( 6.873 6.873 -2.346) 10.000 14.243 ( 0.644 0.644 -4.901) 4.985 14.327 ( -3.059 -3.059 0.879) 4.415 14.328 ( 0.250 0.250 -0.065) 0.360 14.447 ( -3.783 -3.783 1.018) 5.446 14.496 ( 3.051 3.051 2.318) 4.898 14.520 ( -3.134 -3.134 -0.526) 4.464 14.592 ( 1.356 1.356 5.209) 5.551 14.636 ( 1.039 1.039 1.226) 1.914 14.699 ( -0.683 -0.683 3.371) 3.507 14.724 ( -2.832 -2.832 -1.273) 4.202 15.002 ( 8.837 8.837 1.786) 12.624 15.051 ( -11.226 -11.226 1.981) 15.999 15.330 ( 3.274 3.274 -1.677) 4.925 15.351 ( 4.323 4.323 -1.422) 6.277 15.356 ( -0.974 -0.974 -0.462) 1.453 15.459 ( -2.463 -2.463 3.299) 4.798 15.502 ( 0.470 0.470 3.328) 3.394 15.565 ( 1.578 1.578 8.778) 9.057 15.628 ( -0.204 -0.204 3.973) 3.984 15.759 ( 1.620 1.620 -1.504) 2.740 15.798 ( 4.366 4.366 2.236) 6.567 15.822 ( 0.504 0.504 8.201) 8.232 15.873 ( -1.683 -1.683 0.933) 2.556 15.980 ( -1.869 -1.869 8.468) 8.871 16.000 ( -1.171 -1.171 4.321) 4.627 16.048 ( -2.860 -2.860 6.901) 7.998 16.131 ( -9.367 -9.367 1.792) 13.367 16.227 ( 9.587 9.587 -5.089) 14.482 16.405 ( 1.131 1.131 -7.467) 7.636 16.453 ( 3.125 3.125 -8.215) 9.329 16.464 ( 0.973 0.973 -5.212) 5.391 16.681 ( -1.147 -1.147 -3.658) 4.002 16.788 ( -4.060 -4.060 -12.421) 13.684 17.571 ( 2.815 2.815 -8.279) 9.187 17.627 ( 4.562 4.562 -12.196) 13.797 17.635 ( 2.312 2.312 -13.249) 13.647 17.716 ( -1.630 -1.630 -11.945) 12.165 17.752 ( -4.595 -4.595 -6.266) 9.027 17.827 ( -0.171 -0.171 -11.282) 11.285 17.894 ( -2.878 -2.878 -15.456) 15.983 17.920 ( -2.210 -2.210 -12.176) 12.570 18.080 ( 2.802 2.802 -10.200) 10.942 18.133 ( 0.242 0.242 -10.044) 10.050 18.143 ( 0.441 0.441 -14.839) 14.852 18.179 ( 1.732 1.732 -11.557) 11.814 18.271 ( 2.501 2.501 -5.244) 6.325 18.296 ( 0.622 0.622 -17.050) 17.073 18.375 ( -3.745 -3.745 -22.782) 23.389 18.383 ( -2.353 -2.353 -4.509) 5.604 18.803 ( 0.755 0.755 -4.262) 4.394 18.847 ( -0.853 -0.853 -2.378) 2.667 18.882 ( -1.453 -1.453 -9.854) 10.066 18.895 ( -1.163 -1.163 -10.403) 10.533 18.940 ( 0.951 0.951 -9.038) 9.137 18.950 ( 0.969 0.969 -7.395) 7.521 18.989 ( 1.671 1.671 -12.298) 12.523 19.015 ( -0.119 -0.119 -15.066) 15.067 19.251 ( -2.214 -2.214 -7.286) 7.930 19.267 ( -3.593 -3.593 -7.348) 8.934 19.388 ( 6.108 6.108 -12.044) 14.822 19.439 ( 4.220 4.220 -8.795) 10.629 19.580 ( 1.553 1.553 -6.947) 7.286 19.607 ( 3.579 3.579 -13.062) 14.009 19.731 ( -3.005 -3.005 -13.892) 14.527 19.959 ( -2.519 -2.519 -20.411) 20.719 19.987 ( -4.809 -4.809 -14.915) 16.392 20.041 ( -4.735 -4.735 -18.206) 19.398 20.170 ( 4.218 4.218 -14.574) 15.747 20.387 ( -7.095 -7.095 -16.025) 18.907 ======================= Grid point 57 (17/36) ======================= q-point: (-0.50 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -11.638 4.149 1.298) 12.423 1.168 ( 11.638 4.149 1.298) 12.423 1.547 ( -7.628 11.930 4.533) 14.868 1.547 ( 7.628 11.930 4.533) 14.868 1.754 ( -7.018 -2.936 3.454) 8.355 1.754 ( 7.018 -2.936 3.454) 8.355 1.812 ( -1.953 -1.625 -0.529) 2.595 1.812 ( 1.953 -1.625 -0.529) 2.595 2.095 ( -3.305 -4.503 1.401) 5.758 2.095 ( 3.305 -4.503 1.401) 5.758 2.165 ( -11.646 -3.754 2.343) 12.459 2.165 ( 11.646 -3.754 2.343) 12.459 2.321 ( -1.880 4.995 6.338) 8.286 2.321 ( 1.880 4.995 6.338) 8.286 2.425 ( -7.799 6.712 2.106) 10.503 2.425 ( 7.799 6.712 2.106) 10.503 2.460 ( -3.291 0.059 11.218) 11.691 2.460 ( 3.291 0.059 11.218) 11.691 2.637 ( -1.440 -2.723 4.625) 5.557 2.637 ( 1.440 -2.723 4.625) 5.557 2.687 ( -3.189 -3.462 1.378) 4.905 2.687 ( 3.189 -3.462 1.378) 4.905 3.062 ( -4.053 -3.110 -0.843) 5.178 3.062 ( 4.053 -3.110 -0.843) 5.178 4.096 ( -1.805 -4.642 23.650) 24.169 4.096 ( 1.805 -4.642 23.650) 24.169 4.741 ( -12.823 10.111 25.420) 30.213 4.741 ( 12.823 10.111 25.420) 30.213 5.244 ( -5.957 5.958 1.577) 8.572 5.244 ( 5.957 5.958 1.577) 8.572 5.498 ( -1.125 -5.541 4.524) 7.241 5.498 ( 1.125 -5.541 4.524) 7.241 5.597 ( -5.964 2.650 10.009) 11.949 5.597 ( 5.964 2.650 10.009) 11.949 5.979 ( -9.336 -4.872 17.451) 20.382 5.979 ( 9.336 -4.872 17.451) 20.382 6.216 ( -5.343 -3.013 17.360) 18.412 6.216 ( 5.343 -3.013 17.360) 18.412 6.341 ( -1.538 2.206 9.167) 9.553 6.341 ( 1.538 2.206 9.167) 9.553 6.664 ( -4.787 11.344 15.976) 20.170 6.664 ( 4.787 11.344 15.976) 20.170 6.821 ( -6.356 -1.785 0.891) 6.662 6.821 ( 6.356 -1.785 0.891) 6.662 6.915 ( -7.204 0.167 -2.102) 7.506 6.915 ( 7.204 0.167 -2.102) 7.506 6.981 ( -3.450 -5.510 8.192) 10.458 6.981 ( 3.450 -5.510 8.192) 10.458 7.152 ( -6.266 0.804 6.689) 9.200 7.152 ( 6.266 0.804 6.689) 9.200 7.237 ( -3.231 -8.564 -1.321) 9.248 7.237 ( 3.231 -8.564 -1.321) 9.248 7.470 ( -0.498 -1.133 -0.512) 1.339 7.470 ( 0.498 -1.133 -0.512) 1.339 7.597 ( -7.129 -4.940 13.932) 16.411 7.597 ( 7.129 -4.940 13.932) 16.411 7.750 ( -3.243 -3.619 -2.711) 5.564 7.750 ( 3.243 -3.619 -2.711) 5.564 8.013 ( -1.156 4.104 7.813) 8.900 8.013 ( 1.156 4.104 7.813) 8.900 8.071 ( -0.974 1.127 6.268) 6.443 8.071 ( 0.974 1.127 6.268) 6.443 8.231 ( -5.549 6.872 5.617) 10.468 8.231 ( 5.549 6.872 5.617) 10.468 8.384 ( -8.923 3.231 3.950) 10.279 8.384 ( 8.923 3.231 3.950) 10.279 8.524 ( -6.249 -4.618 0.276) 7.775 8.524 ( 6.249 -4.618 0.276) 7.775 8.640 ( -2.309 -2.354 2.336) 4.041 8.640 ( 2.309 -2.354 2.336) 4.041 8.705 ( -5.047 -0.679 1.018) 5.193 8.705 ( 5.047 -0.679 1.018) 5.193 8.965 ( -3.796 6.706 -1.418) 7.835 8.965 ( 3.796 6.706 -1.418) 7.835 9.048 ( -3.675 -0.308 1.839) 4.121 9.048 ( 3.675 -0.308 1.839) 4.121 9.140 ( -3.731 -2.602 0.342) 4.561 9.140 ( 3.731 -2.602 0.342) 4.561 9.399 ( -1.103 0.737 2.663) 2.975 9.399 ( 1.103 0.737 2.663) 2.975 9.526 ( -2.308 -2.950 0.485) 3.777 9.526 ( 2.308 -2.950 0.485) 3.777 9.640 ( -5.670 2.362 -0.506) 6.163 9.640 ( 5.670 2.362 -0.506) 6.163 9.820 ( -5.353 6.149 -0.823) 8.194 9.820 ( 5.353 6.149 -0.823) 8.194 9.966 ( -5.250 2.250 2.203) 6.122 9.966 ( 5.250 2.250 2.203) 6.122 10.051 ( -4.042 -6.649 -0.170) 7.783 10.051 ( 4.042 -6.649 -0.170) 7.783 10.254 ( -2.166 -2.335 2.742) 4.203 10.254 ( 2.166 -2.335 2.742) 4.203 10.345 ( -1.541 5.206 -2.016) 5.791 10.345 ( 1.541 5.206 -2.016) 5.791 10.419 ( -6.745 -0.416 0.002) 6.758 10.419 ( 6.745 -0.416 0.002) 6.758 10.567 ( -2.186 -3.246 -3.049) 4.961 10.567 ( 2.186 -3.246 -3.049) 4.961 10.652 ( -5.515 -0.301 -3.436) 6.505 10.652 ( 5.515 -0.301 -3.436) 6.505 10.688 ( -3.457 0.420 5.751) 6.723 10.688 ( 3.457 0.420 5.751) 6.723 10.801 ( -1.686 -3.541 1.491) 4.196 10.801 ( 1.686 -3.541 1.491) 4.196 10.924 ( -1.730 6.239 1.884) 6.742 10.924 ( 1.730 6.239 1.884) 6.742 11.036 ( -2.934 1.995 -1.518) 3.860 11.036 ( 2.934 1.995 -1.518) 3.860 11.097 ( -2.995 2.102 -1.501) 3.955 11.097 ( 2.995 2.102 -1.501) 3.955 11.261 ( -1.168 -1.289 3.495) 3.904 11.261 ( 1.168 -1.289 3.495) 3.904 11.317 ( -2.527 -3.579 7.787) 8.935 11.317 ( 2.527 -3.579 7.787) 8.935 11.388 ( -6.262 -3.999 3.625) 8.267 11.388 ( 6.262 -3.999 3.625) 8.267 11.491 ( -2.070 -3.121 -6.485) 7.488 11.491 ( 2.070 -3.121 -6.485) 7.488 11.578 ( -3.162 1.584 8.986) 9.657 11.578 ( 3.162 1.584 8.986) 9.657 11.618 ( -2.125 1.374 5.843) 6.368 11.618 ( 2.125 1.374 5.843) 6.368 11.710 ( -1.968 1.255 5.278) 5.771 11.710 ( 1.968 1.255 5.278) 5.771 11.798 ( -2.740 -1.965 3.524) 4.878 11.798 ( 2.740 -1.965 3.524) 4.878 11.860 ( -3.555 -2.039 1.588) 4.395 11.860 ( 3.555 -2.039 1.588) 4.395 12.016 ( -5.870 6.208 4.298) 9.564 12.016 ( 5.870 6.208 4.298) 9.564 12.124 ( -3.477 3.585 4.014) 6.407 12.124 ( 3.477 3.585 4.014) 6.407 12.210 ( -6.737 -0.587 4.217) 7.969 12.210 ( 6.737 -0.587 4.217) 7.969 12.329 ( -1.485 -1.589 2.081) 3.010 12.329 ( 1.485 -1.589 2.081) 3.010 12.368 ( -3.920 -2.074 0.407) 4.453 12.368 ( 3.920 -2.074 0.407) 4.453 12.488 ( -1.473 -3.515 4.542) 5.929 12.488 ( 1.473 -3.515 4.542) 5.929 12.568 ( -2.721 0.069 2.221) 3.513 12.568 ( 2.721 0.069 2.221) 3.513 12.634 ( -1.635 4.612 3.065) 5.774 12.634 ( 1.635 4.612 3.065) 5.774 12.690 ( -4.654 -2.499 4.699) 7.070 12.690 ( 4.654 -2.499 4.699) 7.070 12.830 ( -5.750 -3.984 3.994) 8.055 12.830 ( 5.750 -3.984 3.994) 8.055 12.884 ( -1.680 -4.763 7.404) 8.963 12.884 ( 1.680 -4.763 7.404) 8.963 12.970 ( -1.027 3.400 5.871) 6.862 12.970 ( 1.027 3.400 5.871) 6.862 13.156 ( -3.805 2.259 6.119) 7.551 13.156 ( 3.805 2.259 6.119) 7.551 13.230 ( -1.939 -0.100 1.758) 2.619 13.230 ( 1.939 -0.100 1.758) 2.619 13.274 ( -1.899 1.993 3.023) 4.088 13.274 ( 1.899 1.993 3.023) 4.088 13.476 ( -7.777 4.106 2.385) 9.112 13.476 ( 7.777 4.106 2.385) 9.112 13.722 ( -5.171 -4.942 3.248) 7.856 13.722 ( 5.171 -4.942 3.248) 7.856 13.765 ( -6.195 -3.921 0.048) 7.332 13.765 ( 6.195 -3.921 0.048) 7.332 13.961 ( -0.990 1.259 4.064) 4.368 13.961 ( 0.990 1.259 4.064) 4.368 14.003 ( -5.040 3.884 -1.673) 6.579 14.003 ( 5.040 3.884 -1.673) 6.579 14.132 ( -5.160 6.586 -0.242) 8.371 14.132 ( 5.160 6.586 -0.242) 8.371 14.267 ( -3.879 0.206 -3.060) 4.945 14.267 ( 3.879 0.206 -3.060) 4.945 14.330 ( -6.308 1.477 -0.486) 6.497 14.330 ( 6.308 1.477 -0.486) 6.497 14.410 ( -6.495 -2.732 0.462) 7.062 14.410 ( 6.495 -2.732 0.462) 7.062 14.594 ( -5.534 1.643 0.397) 5.786 14.594 ( 5.534 1.643 0.397) 5.786 14.647 ( -3.994 -1.343 0.626) 4.260 14.647 ( 3.994 -1.343 0.626) 4.260 14.824 ( -11.400 -10.057 3.417) 15.581 14.824 ( 11.400 -10.057 3.417) 15.581 15.203 ( -10.987 9.630 0.940) 14.640 15.203 ( 10.987 9.630 0.940) 14.640 15.397 ( -3.190 0.242 0.389) 3.223 15.397 ( 3.190 0.242 0.389) 3.223 15.468 ( -4.367 1.510 3.287) 5.671 15.468 ( 4.367 1.510 3.287) 5.671 15.609 ( -2.443 2.348 4.996) 6.037 15.609 ( 2.443 2.348 4.996) 6.037 15.830 ( -3.143 -2.177 2.366) 4.496 15.830 ( 3.143 -2.177 2.366) 4.496 15.868 ( -4.418 -3.036 6.124) 8.139 15.868 ( 4.418 -3.036 6.124) 8.139 15.937 ( -3.788 -1.283 3.118) 5.071 15.937 ( 3.788 -1.283 3.118) 5.071 16.020 ( -1.472 -4.267 6.085) 7.576 16.020 ( 1.472 -4.267 6.085) 7.576 16.373 ( -4.863 6.474 -7.482) 11.025 16.373 ( 4.863 6.474 -7.482) 11.025 16.482 ( -0.513 2.331 -5.405) 5.909 16.482 ( 0.513 2.331 -5.405) 5.909 16.703 ( -3.802 -3.204 -8.691) 10.012 16.703 ( 3.802 -3.204 -8.691) 10.012 17.648 ( -4.098 0.553 -7.603) 8.655 17.648 ( 4.098 0.553 -7.603) 8.655 17.681 ( -1.415 -0.556 -11.450) 11.551 17.681 ( 1.415 -0.556 -11.450) 11.551 17.742 ( -6.426 3.953 -11.994) 14.169 17.742 ( 6.426 3.953 -11.994) 14.169 17.893 ( -1.401 -4.383 -14.051) 14.785 17.893 ( 1.401 -4.383 -14.051) 14.785 18.120 ( -1.494 2.033 -10.083) 10.394 18.120 ( 1.494 2.033 -10.083) 10.394 18.179 ( -2.247 0.841 -11.664) 11.908 18.179 ( 2.247 0.841 -11.664) 11.908 18.312 ( -1.084 -3.438 -20.406) 20.722 18.312 ( 1.084 -3.438 -20.406) 20.722 18.328 ( -2.455 0.970 -7.046) 7.525 18.328 ( 2.455 0.970 -7.046) 7.525 18.824 ( -1.372 0.513 -3.361) 3.666 18.824 ( 1.372 0.513 -3.361) 3.666 18.876 ( -0.715 -1.472 -10.019) 10.152 18.876 ( 0.715 -1.472 -10.019) 10.152 18.951 ( -0.514 2.002 -9.074) 9.306 18.951 ( 0.514 2.002 -9.074) 9.306 19.023 ( -0.548 -0.086 -12.481) 12.493 19.023 ( 0.548 -0.086 -12.481) 12.493 19.217 ( -0.535 -4.752 -7.394) 8.806 19.217 ( 0.535 -4.752 -7.394) 8.806 19.486 ( -3.533 5.876 -8.081) 10.597 19.486 ( 3.533 5.876 -8.081) 10.597 19.603 ( -5.100 4.106 -12.365) 13.991 19.603 ( 5.100 4.106 -12.365) 13.991 19.804 ( -10.109 -2.181 -16.988) 19.889 19.804 ( 10.109 -2.181 -16.988) 19.889 19.975 ( -2.323 -7.304 -18.800) 20.302 19.975 ( 2.323 -7.304 -18.800) 20.302 20.264 ( -5.645 0.754 -13.770) 14.901 20.264 ( 5.645 0.754 -13.770) 14.901 ======================= Grid point 64 (18/36) ======================= q-point: (-0.50 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 34 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 0.000 0.000 -2.090) 2.090 1.219 ( 0.000 0.000 -2.090) 2.090 1.677 ( 0.000 0.000 7.302) 7.302 1.677 ( 0.000 0.000 7.302) 7.302 1.753 ( 0.000 0.000 3.305) 3.305 1.753 ( 0.000 0.000 3.305) 3.305 1.800 ( -0.000 -0.000 -0.368) 0.368 1.800 ( 0.000 0.000 -0.368) 0.368 2.019 ( -0.000 -0.000 5.165) 5.165 2.019 ( 0.000 0.000 5.165) 5.165 2.124 ( -0.000 -0.000 -4.917) 4.917 2.124 ( 0.000 0.000 -4.917) 4.917 2.374 ( -0.000 -0.000 9.472) 9.472 2.374 ( 0.000 0.000 9.472) 9.472 2.461 ( 0.000 0.000 8.560) 8.560 2.461 ( 0.000 0.000 8.560) 8.560 2.542 ( 0.000 0.000 -1.184) 1.184 2.542 ( 0.000 0.000 -1.184) 1.184 2.602 ( 0.000 0.000 9.244) 9.244 2.602 ( 0.000 0.000 9.244) 9.244 2.608 ( -0.000 -0.000 3.300) 3.300 2.608 ( 0.000 0.000 3.300) 3.300 3.022 ( 0.000 0.000 -1.441) 1.441 3.022 ( 0.000 0.000 -1.441) 1.441 4.046 ( 0.000 0.000 24.824) 24.824 4.046 ( 0.000 0.000 24.824) 24.824 4.863 ( -0.000 -0.000 28.152) 28.152 4.863 ( 0.000 0.000 28.152) 28.152 5.333 ( -0.000 -0.000 4.099) 4.099 5.333 ( 0.000 0.000 4.099) 4.099 5.402 ( 0.000 0.000 0.211) 0.211 5.402 ( 0.000 0.000 0.211) 0.211 5.692 ( -0.000 -0.000 9.434) 9.434 5.692 ( 0.000 0.000 9.434) 9.434 5.833 ( 0.000 0.000 12.170) 12.170 5.833 ( 0.000 0.000 12.170) 12.170 6.256 ( 0.000 0.000 11.490) 11.490 6.256 ( 0.000 0.000 11.490) 11.490 6.336 ( -0.000 -0.000 20.732) 20.732 6.336 ( 0.000 0.000 20.732) 20.732 6.799 ( 0.000 0.000 12.436) 12.436 6.799 ( 0.000 0.000 12.436) 12.436 6.836 ( 0.000 0.000 -8.724) 8.724 6.836 ( 0.000 0.000 -8.724) 8.724 6.885 ( -0.000 -0.000 17.642) 17.642 6.885 ( -0.000 -0.000 17.642) 17.642 6.936 ( -0.000 -0.000 2.578) 2.578 6.936 ( 0.000 0.000 2.578) 2.578 7.008 ( -0.000 -0.000 -6.830) 6.830 7.008 ( 0.000 0.000 -6.830) 6.830 7.288 ( -0.000 -0.000 11.578) 11.578 7.288 ( 0.000 0.000 11.578) 11.578 7.446 ( 0.000 0.000 1.537) 1.537 7.446 ( -0.000 -0.000 1.537) 1.537 7.520 ( -0.000 -0.000 15.194) 15.194 7.520 ( 0.000 0.000 15.194) 15.194 7.728 ( 0.000 0.000 -6.501) 6.501 7.728 ( 0.000 0.000 -6.501) 6.501 8.041 ( -0.000 -0.000 5.727) 5.727 8.041 ( 0.000 0.000 5.727) 5.727 8.053 ( 0.000 0.000 7.922) 7.922 8.053 ( 0.000 0.000 7.922) 7.922 8.322 ( -0.000 -0.000 1.347) 1.347 8.322 ( 0.000 0.000 1.347) 1.347 8.452 ( -0.000 -0.000 -1.874) 1.874 8.452 ( 0.000 0.000 -1.874) 1.874 8.475 ( -0.000 -0.000 13.098) 13.098 8.475 ( 0.000 0.000 13.098) 13.098 8.617 ( -0.000 -0.000 -9.641) 9.641 8.617 ( 0.000 0.000 -9.641) 9.641 8.668 ( 0.000 0.000 4.016) 4.016 8.668 ( 0.000 0.000 4.016) 4.016 9.042 ( -0.000 -0.000 5.275) 5.275 9.042 ( 0.000 0.000 5.275) 5.275 9.067 ( 0.000 0.000 -3.478) 3.478 9.067 ( 0.000 0.000 -3.478) 3.478 9.098 ( -0.000 -0.000 2.919) 2.919 9.098 ( 0.000 0.000 2.919) 2.919 9.394 ( -0.000 -0.000 2.791) 2.791 9.394 ( 0.000 0.000 2.791) 2.791 9.499 ( 0.000 0.000 2.045) 2.045 9.499 ( 0.000 0.000 2.045) 2.045 9.693 ( 0.000 0.000 -2.851) 2.851 9.693 ( 0.000 0.000 -2.851) 2.851 9.890 ( 0.000 0.000 2.190) 2.190 9.890 ( 0.000 0.000 2.190) 2.190 9.971 ( 0.000 0.000 0.476) 0.476 9.971 ( 0.000 0.000 0.476) 0.476 9.974 ( 0.000 0.000 -0.827) 0.827 9.974 ( 0.000 0.000 -0.827) 0.827 10.254 ( -0.000 -0.000 4.574) 4.574 10.254 ( 0.000 0.000 4.574) 4.574 10.346 ( 0.000 0.000 4.408) 4.408 10.346 ( 0.000 0.000 4.408) 4.408 10.428 ( 0.000 0.000 -2.837) 2.837 10.428 ( 0.000 0.000 -2.837) 2.837 10.541 ( -0.000 -0.000 -5.794) 5.794 10.541 ( 0.000 0.000 -5.794) 5.794 10.659 ( 0.000 0.000 -7.553) 7.553 10.659 ( 0.000 0.000 -7.553) 7.553 10.684 ( -0.000 -0.000 10.677) 10.677 10.684 ( 0.000 0.000 10.677) 10.677 10.776 ( -0.000 -0.000 -1.137) 1.137 10.776 ( 0.000 0.000 -1.137) 1.137 10.998 ( -0.000 -0.000 -3.378) 3.378 10.998 ( 0.000 0.000 -3.378) 3.378 11.080 ( -0.000 -0.000 3.796) 3.796 11.080 ( -0.000 -0.000 3.796) 3.796 11.091 ( -0.000 -0.000 -1.265) 1.265 11.091 ( 0.000 0.000 -1.265) 1.265 11.220 ( 0.000 0.000 -1.810) 1.810 11.220 ( 0.000 0.000 -1.810) 1.810 11.275 ( 0.000 0.000 12.742) 12.742 11.275 ( 0.000 0.000 12.742) 12.742 11.368 ( 0.000 0.000 6.520) 6.520 11.368 ( 0.000 0.000 6.520) 6.520 11.454 ( 0.000 0.000 -11.587) 11.587 11.454 ( 0.000 0.000 -11.587) 11.587 11.605 ( -0.000 -0.000 11.292) 11.292 11.605 ( 0.000 0.000 11.292) 11.292 11.625 ( 0.000 0.000 12.041) 12.041 11.625 ( 0.000 0.000 12.041) 12.041 11.744 ( 0.000 0.000 4.321) 4.321 11.744 ( 0.000 0.000 4.321) 4.321 11.780 ( 0.000 0.000 2.626) 2.626 11.780 ( 0.000 0.000 2.626) 2.626 11.803 ( 0.000 0.000 -0.843) 0.843 11.803 ( 0.000 0.000 -0.843) 0.843 12.093 ( 0.000 0.000 7.457) 7.457 12.093 ( 0.000 0.000 7.457) 7.457 12.195 ( 0.000 0.000 0.948) 0.948 12.195 ( 0.000 0.000 0.948) 0.948 12.200 ( 0.000 0.000 0.775) 0.775 12.200 ( 0.000 0.000 0.775) 0.775 12.285 ( -0.000 -0.000 -2.095) 2.095 12.285 ( -0.000 -0.000 -2.095) 2.095 12.333 ( -0.000 -0.000 5.938) 5.938 12.333 ( 0.000 0.000 5.938) 5.938 12.443 ( 0.000 0.000 5.425) 5.425 12.443 ( 0.000 0.000 5.425) 5.425 12.610 ( -0.000 -0.000 1.136) 1.136 12.610 ( 0.000 0.000 1.136) 1.136 12.614 ( -0.000 -0.000 4.225) 4.225 12.614 ( -0.000 -0.000 4.225) 4.225 12.750 ( -0.000 -0.000 1.191) 1.191 12.750 ( 0.000 0.000 1.191) 1.191 12.770 ( 0.000 0.000 3.785) 3.785 12.770 ( 0.000 0.000 3.785) 3.785 12.807 ( -0.000 -0.000 9.093) 9.093 12.807 ( 0.000 0.000 9.093) 9.093 13.012 ( 0.000 0.000 3.628) 3.628 13.012 ( 0.000 0.000 3.628) 3.628 13.169 ( 0.000 0.000 14.284) 14.284 13.169 ( 0.000 0.000 14.284) 14.284 13.227 ( 0.000 0.000 1.669) 1.669 13.227 ( 0.000 0.000 1.669) 1.669 13.284 ( 0.000 0.000 2.180) 2.180 13.284 ( 0.000 0.000 2.180) 2.180 13.597 ( 0.000 0.000 -5.573) 5.573 13.597 ( 0.000 0.000 -5.573) 5.573 13.600 ( -0.000 -0.000 7.178) 7.178 13.600 ( 0.000 0.000 7.178) 7.178 13.727 ( -0.000 -0.000 0.658) 0.658 13.727 ( 0.000 0.000 0.658) 0.658 13.970 ( 0.000 0.000 4.423) 4.423 13.970 ( 0.000 0.000 4.423) 4.423 14.065 ( 0.000 0.000 -1.836) 1.836 14.065 ( 0.000 0.000 -1.836) 1.836 14.202 ( -0.000 -0.000 -6.909) 6.909 14.202 ( 0.000 0.000 -6.909) 6.909 14.261 ( 0.000 0.000 0.331) 0.331 14.261 ( 0.000 0.000 0.331) 0.331 14.324 ( 0.000 0.000 0.525) 0.525 14.324 ( 0.000 0.000 0.525) 0.525 14.430 ( 0.000 0.000 1.289) 1.289 14.430 ( 0.000 0.000 1.289) 1.289 14.602 ( 0.000 0.000 -2.159) 2.159 14.602 ( 0.000 0.000 -2.159) 2.159 14.620 ( -0.000 -0.000 6.336) 6.336 14.620 ( -0.000 -0.000 6.336) 6.336 14.711 ( -0.000 -0.000 1.315) 1.315 14.711 ( 0.000 0.000 1.315) 1.315 15.332 ( -0.000 -0.000 3.224) 3.224 15.332 ( 0.000 0.000 3.224) 3.224 15.411 ( 0.000 0.000 -0.455) 0.455 15.411 ( 0.000 0.000 -0.455) 0.455 15.450 ( 0.000 0.000 1.025) 1.025 15.450 ( 0.000 0.000 1.025) 1.025 15.643 ( 0.000 0.000 3.850) 3.850 15.643 ( -0.000 -0.000 3.850) 3.850 15.810 ( 0.000 0.000 13.667) 13.667 15.810 ( -0.000 -0.000 13.667) 13.667 15.820 ( 0.000 0.000 -0.251) 0.251 15.820 ( 0.000 0.000 -0.251) 0.251 15.903 ( 0.000 0.000 5.869) 5.869 15.903 ( 0.000 0.000 5.869) 5.869 15.996 ( 0.000 0.000 3.813) 3.813 15.996 ( 0.000 0.000 3.813) 3.813 16.430 ( 0.000 0.000 -7.649) 7.649 16.430 ( 0.000 0.000 -7.649) 7.649 16.537 ( -0.000 -0.000 -9.225) 9.225 16.537 ( 0.000 0.000 -9.225) 9.225 16.650 ( 0.000 0.000 -5.819) 5.819 16.650 ( 0.000 0.000 -5.819) 5.819 17.659 ( 0.000 0.000 -4.783) 4.783 17.659 ( 0.000 0.000 -4.783) 4.783 17.676 ( 0.000 0.000 -12.689) 12.689 17.676 ( 0.000 0.000 -12.689) 12.689 17.812 ( 0.000 0.000 -18.342) 18.342 17.812 ( 0.000 0.000 -18.342) 18.342 17.818 ( 0.000 0.000 -9.352) 9.352 17.818 ( 0.000 0.000 -9.352) 9.352 18.139 ( 0.000 0.000 -12.221) 12.221 18.139 ( 0.000 0.000 -12.221) 12.221 18.200 ( -0.000 -0.000 -7.386) 7.386 18.200 ( 0.000 0.000 -7.386) 7.386 18.257 ( 0.000 0.000 -24.709) 24.709 18.257 ( 0.000 0.000 -24.709) 24.709 18.342 ( 0.000 0.000 -5.932) 5.932 18.342 ( 0.000 0.000 -5.932) 5.932 18.833 ( 0.000 0.000 -2.419) 2.419 18.833 ( 0.000 0.000 -2.419) 2.419 18.859 ( -0.000 -0.000 -10.568) 10.568 18.859 ( -0.000 -0.000 -10.568) 10.568 18.973 ( 0.000 0.000 -9.551) 9.551 18.973 ( 0.000 0.000 -9.551) 9.551 19.030 ( 0.000 0.000 -12.276) 12.276 19.030 ( 0.000 0.000 -12.276) 12.276 19.156 ( 0.000 0.000 -7.311) 7.311 19.156 ( 0.000 0.000 -7.311) 7.311 19.554 ( 0.000 0.000 -6.310) 6.310 19.554 ( 0.000 0.000 -6.310) 6.310 19.666 ( 0.000 0.000 -14.052) 14.052 19.666 ( 0.000 0.000 -14.052) 14.052 19.791 ( 0.000 0.000 -13.922) 13.922 19.791 ( -0.000 -0.000 -13.922) 13.922 19.859 ( -0.000 -0.000 -24.034) 24.034 19.859 ( 0.000 0.000 -24.034) 24.034 20.271 ( 0.000 0.000 -12.870) 12.870 20.271 ( 0.000 0.000 -12.870) 12.870 ======================= Grid point 75 (19/36) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.000 -0.000 12.332) 12.332 0.953 ( 0.000 0.000 12.332) 12.332 1.383 ( -0.000 -0.000 1.812) 1.812 1.717 ( -0.000 -0.000 1.064) 1.064 1.776 ( 0.000 -0.000 1.224) 1.224 1.776 ( 0.000 0.000 1.224) 1.224 1.794 ( -0.000 -0.000 -1.829) 1.829 1.808 ( 0.000 -0.000 -8.891) 8.891 1.977 ( 0.000 0.000 -1.121) 1.121 1.977 ( -0.000 0.000 -1.121) 1.121 2.165 ( 0.000 0.000 0.154) 0.154 2.311 ( 0.000 -0.000 4.698) 4.698 2.352 ( -0.000 -0.000 2.394) 2.394 2.388 ( 0.000 0.000 3.088) 3.088 2.388 ( 0.000 0.000 3.088) 3.088 2.521 ( 0.000 0.000 6.365) 6.365 2.521 ( 0.000 0.000 6.365) 6.365 2.748 ( 0.000 -0.000 3.871) 3.871 2.748 ( 0.000 0.000 3.871) 3.871 2.778 ( 0.000 0.000 -3.803) 3.803 2.786 ( 0.000 0.000 12.482) 12.482 2.909 ( -0.000 -0.000 8.694) 8.694 3.068 ( 0.000 0.000 4.444) 4.444 3.259 ( 0.000 -0.000 0.278) 0.278 4.574 ( -0.000 0.000 19.645) 19.645 4.574 ( 0.000 0.000 19.645) 19.645 4.584 ( 0.000 0.000 15.558) 15.558 5.033 ( 0.000 0.000 -0.914) 0.914 5.273 ( 0.000 0.000 2.259) 2.259 5.273 ( 0.000 0.000 2.259) 2.259 5.719 ( 0.000 0.000 16.654) 16.654 5.719 ( -0.000 0.000 16.654) 16.654 5.913 ( -0.000 -0.000 1.569) 1.569 6.035 ( -0.000 0.000 38.282) 38.282 6.240 ( 0.000 0.000 7.736) 7.736 6.240 ( -0.000 -0.000 7.736) 7.736 6.268 ( -0.000 0.000 -3.741) 3.741 6.524 ( 0.000 0.000 18.630) 18.630 6.554 ( 0.000 0.000 -10.378) 10.378 6.554 ( 0.000 0.000 -10.378) 10.378 6.555 ( 0.000 0.000 10.148) 10.148 6.671 ( -0.000 0.000 10.656) 10.656 6.699 ( 0.000 0.000 -9.055) 9.055 6.699 ( 0.000 0.000 -9.055) 9.055 6.937 ( -0.000 -0.000 13.976) 13.976 6.986 ( 0.000 0.000 -5.197) 5.197 7.274 ( -0.000 -0.000 37.067) 37.067 7.318 ( -0.000 -0.000 -9.124) 9.124 7.318 ( -0.000 0.000 -9.124) 9.124 7.400 ( 0.000 0.000 12.983) 12.983 7.400 ( 0.000 0.000 12.983) 12.983 7.593 ( 0.000 0.000 7.479) 7.479 7.593 ( 0.000 0.000 7.479) 7.479 7.689 ( 0.000 0.000 31.682) 31.682 7.838 ( 0.000 0.000 19.029) 19.029 7.869 ( 0.000 0.000 -6.230) 6.230 7.936 ( -0.000 0.000 -3.883) 3.883 8.013 ( 0.000 0.000 2.647) 2.647 8.042 ( 0.000 0.000 26.535) 26.535 8.042 ( -0.000 -0.000 26.535) 26.535 8.105 ( -0.000 0.000 22.386) 22.386 8.239 ( 0.000 0.000 -2.795) 2.795 8.239 ( 0.000 0.000 -2.795) 2.795 8.251 ( 0.000 0.000 6.117) 6.117 8.466 ( 0.000 0.000 7.807) 7.807 8.581 ( -0.000 -0.000 0.232) 0.232 8.595 ( 0.000 0.000 -0.856) 0.856 8.595 ( 0.000 0.000 -0.856) 0.856 8.746 ( 0.000 0.000 -9.858) 9.858 8.754 ( 0.000 0.000 2.992) 2.992 8.754 ( 0.000 0.000 2.992) 2.992 8.826 ( -0.000 0.000 3.617) 3.617 8.859 ( 0.000 -0.000 5.786) 5.786 9.055 ( 0.000 0.000 -0.529) 0.529 9.099 ( -0.000 0.000 25.258) 25.258 9.158 ( -0.000 0.000 5.740) 5.740 9.238 ( 0.000 0.000 -9.507) 9.507 9.254 ( 0.000 0.000 11.304) 11.304 9.262 ( -0.000 -0.000 -0.779) 0.779 9.262 ( -0.000 0.000 -0.779) 0.779 9.372 ( 0.000 0.000 2.298) 2.298 9.372 ( 0.000 0.000 2.298) 2.298 9.517 ( 0.000 -0.000 4.205) 4.205 9.517 ( 0.000 0.000 4.205) 4.205 9.795 ( 0.000 0.000 5.419) 5.419 9.856 ( 0.000 0.000 0.950) 0.950 10.001 ( 0.000 -0.000 -6.604) 6.604 10.001 ( 0.000 0.000 -6.604) 6.604 10.085 ( 0.000 0.000 13.203) 13.203 10.170 ( -0.000 -0.000 -6.427) 6.427 10.183 ( 0.000 0.000 1.483) 1.483 10.183 ( 0.000 -0.000 1.483) 1.483 10.249 ( 0.000 0.000 3.171) 3.171 10.364 ( 0.000 0.000 -2.689) 2.689 10.364 ( 0.000 0.000 -2.689) 2.689 10.397 ( 0.000 0.000 -4.057) 4.057 10.476 ( -0.000 0.000 -10.718) 10.718 10.597 ( -0.000 -0.000 -0.333) 0.333 10.597 ( 0.000 -0.000 -0.333) 0.333 10.715 ( 0.000 -0.000 -1.286) 1.286 10.715 ( 0.000 0.000 -1.286) 1.286 10.786 ( 0.000 0.000 -1.570) 1.570 10.874 ( -0.000 -0.000 8.911) 8.911 10.911 ( 0.000 0.000 1.700) 1.700 11.025 ( 0.000 0.000 5.981) 5.981 11.025 ( 0.000 0.000 5.981) 5.981 11.034 ( -0.000 -0.000 -4.136) 4.136 11.124 ( -0.000 0.000 -19.048) 19.048 11.134 ( 0.000 -0.000 7.120) 7.120 11.174 ( 0.000 -0.000 11.218) 11.218 11.246 ( 0.000 0.000 -2.944) 2.944 11.246 ( 0.000 0.000 -2.944) 2.944 11.261 ( -0.000 -0.000 4.075) 4.075 11.268 ( 0.000 0.000 -1.459) 1.459 11.401 ( 0.000 0.000 4.158) 4.158 11.401 ( -0.000 -0.000 4.158) 4.158 11.438 ( 0.000 0.000 -9.138) 9.138 11.462 ( 0.000 0.000 1.737) 1.737 11.569 ( 0.000 -0.000 -0.984) 0.984 11.569 ( 0.000 0.000 -0.984) 0.984 11.811 ( -0.000 0.000 13.011) 13.011 11.838 ( 0.000 -0.000 7.517) 7.517 11.838 ( -0.000 0.000 7.517) 7.517 11.884 ( 0.000 0.000 21.113) 21.113 11.999 ( 0.000 0.000 -5.409) 5.409 12.036 ( 0.000 0.000 5.799) 5.799 12.036 ( 0.000 0.000 5.799) 5.799 12.054 ( -0.000 0.000 8.726) 8.726 12.057 ( -0.000 -0.000 14.302) 14.302 12.096 ( 0.000 0.000 6.407) 6.407 12.096 ( 0.000 0.000 6.407) 6.407 12.110 ( 0.000 0.000 5.077) 5.077 12.181 ( 0.000 0.000 24.674) 24.674 12.303 ( 0.000 0.000 -3.544) 3.544 12.311 ( -0.000 -0.000 -15.064) 15.064 12.430 ( 0.000 0.000 -7.510) 7.510 12.547 ( -0.000 -0.000 0.663) 0.663 12.547 ( 0.000 0.000 0.663) 0.663 12.598 ( 0.000 -0.000 2.926) 2.926 12.598 ( 0.000 0.000 2.926) 2.926 12.617 ( 0.000 -0.000 0.027) 0.027 12.633 ( 0.000 0.000 4.614) 4.614 12.633 ( -0.000 -0.000 4.614) 4.614 12.657 ( 0.000 -0.000 11.315) 11.315 12.701 ( 0.000 0.000 10.353) 10.353 12.771 ( 0.000 -0.000 -9.648) 9.648 12.915 ( 0.000 -0.000 11.151) 11.151 12.915 ( 0.000 0.000 11.151) 11.151 13.057 ( 0.000 0.000 5.418) 5.418 13.057 ( 0.000 0.000 5.418) 5.418 13.060 ( 0.000 0.000 15.161) 15.161 13.117 ( -0.000 -0.000 -1.211) 1.211 13.117 ( 0.000 -0.000 -1.211) 1.211 13.118 ( -0.000 0.000 5.714) 5.714 13.276 ( 0.000 -0.000 1.827) 1.827 13.292 ( 0.000 0.000 1.050) 1.050 13.292 ( 0.000 0.000 1.050) 1.050 13.344 ( 0.000 0.000 23.049) 23.049 13.595 ( 0.000 0.000 -1.979) 1.979 13.595 ( 0.000 0.000 -1.979) 1.979 13.603 ( -0.000 -0.000 11.872) 11.872 13.733 ( 0.000 0.000 1.591) 1.591 13.896 ( -0.000 -0.000 -1.477) 1.477 13.913 ( 0.000 0.000 -6.047) 6.047 13.913 ( 0.000 0.000 12.277) 12.277 13.950 ( -0.000 -0.000 0.039) 0.039 13.950 ( 0.000 0.000 0.039) 0.039 14.027 ( 0.000 0.000 -0.942) 0.942 14.027 ( 0.000 0.000 -0.942) 0.942 14.082 ( -0.000 -0.000 1.265) 1.265 14.189 ( 0.000 0.000 0.645) 0.645 14.189 ( 0.000 0.000 0.645) 0.645 14.305 ( 0.000 0.000 -4.515) 4.515 14.521 ( 0.000 0.000 6.550) 6.550 14.543 ( 0.000 0.000 -6.182) 6.182 14.574 ( -0.000 0.000 -1.943) 1.943 14.574 ( -0.000 -0.000 -1.943) 1.943 14.615 ( 0.000 0.000 6.300) 6.300 14.615 ( -0.000 -0.000 6.300) 6.300 14.645 ( 0.000 0.000 7.985) 7.985 14.923 ( 0.000 0.000 10.218) 10.218 15.040 ( 0.000 0.000 6.655) 6.655 15.094 ( -0.000 0.000 -6.182) 6.182 15.094 ( -0.000 -0.000 -6.182) 6.182 15.129 ( 0.000 -0.000 -6.993) 6.993 15.548 ( 0.000 -0.000 2.311) 2.311 15.548 ( 0.000 0.000 2.311) 2.311 15.597 ( -0.000 -0.000 -0.576) 0.576 15.646 ( 0.000 0.000 -8.903) 8.903 15.705 ( 0.000 0.000 4.503) 4.503 15.731 ( 0.000 0.000 0.964) 0.964 15.731 ( -0.000 -0.000 0.964) 0.964 15.815 ( -0.000 -0.000 4.799) 4.799 15.815 ( 0.000 0.000 4.799) 4.799 16.001 ( 0.000 0.000 -0.766) 0.766 16.156 ( 0.000 0.000 3.662) 3.662 16.156 ( 0.000 0.000 3.662) 3.662 16.171 ( 0.000 0.000 -6.223) 6.223 16.265 ( 0.000 0.000 9.218) 9.218 16.271 ( 0.000 0.000 -9.179) 9.179 16.347 ( 0.000 0.000 0.458) 0.458 16.347 ( 0.000 -0.000 0.458) 0.458 16.581 ( -0.000 -0.000 -14.795) 14.795 16.651 ( -0.000 0.000 -4.489) 4.489 17.274 ( -0.000 0.000 -12.608) 12.608 17.274 ( -0.000 0.000 -12.608) 12.608 17.300 ( 0.000 0.000 -15.715) 15.715 17.508 ( 0.000 0.000 -14.234) 14.234 17.535 ( 0.000 0.000 -15.633) 15.633 17.592 ( 0.000 0.000 -17.459) 17.459 17.647 ( 0.000 0.000 -24.160) 24.160 17.740 ( -0.000 0.000 -12.414) 12.414 17.756 ( 0.000 -0.000 -12.989) 12.989 17.756 ( 0.000 0.000 -12.989) 12.989 17.894 ( -0.000 -0.000 -12.038) 12.038 17.894 ( 0.000 0.000 -12.038) 12.038 17.970 ( -0.000 -0.000 -27.532) 27.532 18.137 ( -0.000 0.000 -5.070) 5.070 18.137 ( -0.000 0.000 -5.070) 5.070 18.383 ( 0.000 0.000 -3.338) 3.338 18.560 ( -0.000 -0.000 -25.861) 25.861 18.644 ( 0.000 -0.000 -16.269) 16.269 18.656 ( 0.000 0.000 -17.821) 17.821 18.699 ( 0.000 0.000 -4.626) 4.626 18.755 ( -0.000 0.000 -10.477) 10.477 18.776 ( 0.000 0.000 -6.493) 6.493 18.776 ( 0.000 0.000 -6.493) 6.493 18.914 ( -0.000 0.000 -0.607) 0.607 19.013 ( 0.000 0.000 -8.964) 8.964 19.013 ( 0.000 0.000 -8.964) 8.964 19.195 ( 0.000 0.000 -11.757) 11.757 19.213 ( 0.000 0.000 -6.789) 6.789 19.405 ( 0.000 0.000 -9.816) 9.816 19.405 ( 0.000 0.000 -9.816) 9.816 19.578 ( 0.000 -0.000 -14.121) 14.121 19.645 ( 0.000 0.000 -15.744) 15.744 19.645 ( -0.000 -0.000 -15.744) 15.744 19.835 ( 0.000 0.000 -13.740) 13.740 19.835 ( -0.000 -0.000 -13.740) 13.740 20.142 ( 0.000 0.000 -26.415) 26.415 ======================= Grid point 76 (20/36) ======================= q-point: ( 0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 6.895 0.000 9.257) 11.543 1.175 ( 18.133 0.000 7.685) 19.694 1.414 ( -4.255 0.000 2.927) 5.164 1.628 ( -5.999 0.000 1.620) 6.214 1.648 ( 1.564 0.000 -1.333) 2.055 1.790 ( 0.417 0.000 -1.302) 1.367 1.864 ( 1.839 0.000 -0.919) 2.055 1.925 ( -4.016 0.000 -2.522) 4.742 1.991 ( 4.657 0.000 -0.866) 4.737 2.008 ( 9.772 0.000 -3.504) 10.381 2.177 ( 1.556 0.000 0.442) 1.618 2.295 ( -2.754 0.000 1.107) 2.968 2.311 ( -2.950 0.000 2.945) 4.168 2.399 ( 1.697 0.000 4.509) 4.818 2.421 ( -0.621 0.000 -0.448) 0.766 2.506 ( -1.650 0.000 7.244) 7.430 2.567 ( 5.173 0.000 8.581) 10.020 2.698 ( -2.160 0.000 6.325) 6.683 2.724 ( -1.881 0.000 1.164) 2.212 2.752 ( -2.252 0.000 -0.366) 2.281 2.823 ( 1.350 0.000 10.848) 10.932 2.887 ( -2.268 0.000 9.445) 9.713 3.061 ( 0.022 0.000 3.489) 3.489 3.205 ( -5.190 0.000 0.564) 5.220 4.543 ( -1.621 0.000 16.898) 16.976 4.570 ( -2.014 0.000 17.038) 17.156 4.712 ( 13.965 0.000 19.680) 24.131 5.076 ( 4.691 0.000 -0.084) 4.691 5.277 ( -1.560 0.000 1.934) 2.485 5.378 ( 7.157 0.000 4.130) 8.263 5.525 ( -16.349 0.000 23.023) 28.237 5.721 ( 2.701 0.000 14.730) 14.976 5.873 ( -8.260 0.000 13.596) 15.908 5.937 ( -0.976 0.000 7.023) 7.091 6.259 ( 3.863 0.000 2.218) 4.454 6.306 ( 1.677 0.000 18.772) 18.847 6.316 ( 2.008 0.000 -0.927) 2.211 6.496 ( -0.116 0.000 4.649) 4.651 6.544 ( -3.741 0.000 10.806) 11.435 6.624 ( -4.497 0.000 -4.628) 6.453 6.664 ( 6.682 0.000 2.574) 7.161 6.674 ( 5.755 0.000 -9.302) 10.938 6.691 ( 1.180 0.000 -0.027) 1.180 6.766 ( 12.995 0.000 6.704) 14.623 6.976 ( 0.918 0.000 8.663) 8.712 7.005 ( 3.597 0.000 -1.888) 4.063 7.207 ( -9.587 0.000 22.500) 24.457 7.261 ( -3.514 0.000 20.722) 21.018 7.293 ( -3.678 0.000 -4.254) 5.624 7.318 ( -0.379 0.000 -5.753) 5.765 7.435 ( 3.674 0.000 14.117) 14.587 7.462 ( -10.039 0.000 10.763) 14.718 7.580 ( -0.975 0.000 4.281) 4.391 7.648 ( -7.609 0.000 15.802) 17.538 7.737 ( -8.295 0.000 1.864) 8.502 7.803 ( -4.865 0.000 4.596) 6.693 7.954 ( 0.424 0.000 17.694) 17.699 8.034 ( 2.940 0.000 4.132) 5.071 8.044 ( -3.258 0.000 20.015) 20.278 8.072 ( -1.226 0.000 8.631) 8.717 8.145 ( -5.187 0.000 9.357) 10.698 8.228 ( 14.436 0.000 8.720) 16.865 8.289 ( 3.630 0.000 4.945) 6.134 8.334 ( -8.058 0.000 8.140) 11.454 8.385 ( 12.298 0.000 11.521) 16.851 8.519 ( -5.512 0.000 5.421) 7.731 8.620 ( 3.340 0.000 -0.491) 3.376 8.652 ( -4.734 0.000 -3.440) 5.852 8.680 ( 6.573 0.000 -0.738) 6.614 8.722 ( -0.122 0.000 3.147) 3.150 8.837 ( -2.158 0.000 5.201) 5.631 8.904 ( 1.965 0.000 4.437) 4.853 8.908 ( -0.466 0.000 8.080) 8.094 9.005 ( -8.317 0.000 5.772) 10.124 9.044 ( 2.405 0.000 -1.512) 2.841 9.081 ( 0.542 0.000 14.981) 14.990 9.090 ( -6.343 0.000 4.016) 7.507 9.206 ( -1.882 0.000 -5.435) 5.752 9.350 ( 5.071 0.000 3.256) 6.027 9.411 ( 2.705 0.000 1.602) 3.144 9.447 ( 9.176 0.000 3.454) 9.805 9.500 ( 8.806 0.000 -0.080) 8.806 9.549 ( 3.741 0.000 3.216) 4.933 9.611 ( 7.083 0.000 1.430) 7.226 9.747 ( -3.832 0.000 3.297) 5.055 9.810 ( -4.138 0.000 2.728) 4.956 9.999 ( -0.740 0.000 -2.999) 3.089 10.064 ( -1.978 0.000 9.163) 9.374 10.091 ( 6.982 0.000 -4.866) 8.511 10.132 ( -2.470 0.000 -0.692) 2.565 10.184 ( 0.271 0.000 0.540) 0.604 10.184 ( 0.487 0.000 -3.222) 3.259 10.280 ( 1.982 0.000 1.921) 2.761 10.324 ( -3.212 0.000 -1.574) 3.577 10.333 ( -2.805 0.000 -2.235) 3.587 10.458 ( 0.863 0.000 -8.711) 8.754 10.484 ( 2.527 0.000 -5.127) 5.716 10.591 ( 2.613 0.000 -2.407) 3.552 10.606 ( 1.805 0.000 0.829) 1.986 10.632 ( -7.432 0.000 -1.528) 7.587 10.695 ( -0.952 0.000 1.291) 1.604 10.808 ( 0.477 0.000 -1.369) 1.450 10.894 ( 0.018 0.000 7.168) 7.168 10.905 ( -4.605 0.000 0.387) 4.621 10.971 ( -0.138 0.000 2.137) 2.141 11.005 ( -0.353 0.000 3.492) 3.509 11.015 ( -4.281 0.000 1.271) 4.466 11.051 ( -4.976 0.000 -2.642) 5.634 11.060 ( -2.738 0.000 1.487) 3.115 11.169 ( -6.157 0.000 9.487) 11.310 11.196 ( 4.849 0.000 -8.044) 9.392 11.291 ( 1.175 0.000 0.797) 1.420 11.308 ( 0.903 0.000 1.316) 1.596 11.333 ( 3.520 0.000 -3.917) 5.266 11.402 ( 1.499 0.000 -5.894) 6.082 11.445 ( 2.824 0.000 3.136) 4.221 11.466 ( 6.122 0.000 1.268) 6.252 11.574 ( 7.819 0.000 1.846) 8.034 11.588 ( 2.292 0.000 -0.011) 2.292 11.609 ( 1.806 0.000 1.770) 2.529 11.756 ( -3.044 0.000 5.598) 6.372 11.798 ( -3.289 0.000 10.379) 10.888 11.831 ( -0.167 0.000 3.322) 3.326 11.867 ( -6.262 0.000 8.139) 10.270 11.941 ( -4.105 0.000 2.618) 4.869 11.962 ( -1.955 0.000 16.602) 16.716 11.981 ( -3.754 0.000 6.525) 7.528 12.031 ( -3.246 0.000 12.130) 12.557 12.087 ( 2.372 0.000 1.539) 2.828 12.096 ( 0.997 0.000 8.298) 8.358 12.128 ( 2.262 0.000 7.931) 8.247 12.164 ( 2.061 0.000 3.875) 4.389 12.238 ( 5.293 0.000 15.764) 16.629 12.289 ( -0.568 0.000 -3.207) 3.257 12.379 ( 5.094 0.000 -2.174) 5.539 12.392 ( -3.102 0.000 -4.063) 5.112 12.505 ( -3.703 0.000 4.312) 5.684 12.541 ( 0.722 0.000 1.364) 1.544 12.563 ( -6.514 0.000 9.879) 11.833 12.566 ( -0.924 0.000 1.839) 2.058 12.598 ( -1.055 0.000 1.855) 2.134 12.655 ( 2.510 0.000 5.462) 6.011 12.667 ( -0.503 0.000 3.674) 3.708 12.676 ( 0.674 0.000 7.865) 7.894 12.762 ( 7.975 0.000 4.054) 8.946 12.802 ( 4.219 0.000 -5.295) 6.770 12.880 ( -1.673 0.000 8.957) 9.112 12.955 ( 1.484 0.000 7.443) 7.590 13.040 ( 0.660 0.000 4.984) 5.028 13.055 ( -0.654 0.000 5.725) 5.762 13.068 ( -1.699 0.000 1.964) 2.598 13.093 ( 0.129 0.000 6.221) 6.223 13.126 ( -1.263 0.000 8.264) 8.360 13.151 ( 1.788 0.000 2.438) 3.024 13.261 ( -0.108 0.000 -0.287) 0.307 13.265 ( -2.902 0.000 1.316) 3.186 13.306 ( -2.663 0.000 1.546) 3.079 13.383 ( -4.586 0.000 6.190) 7.704 13.444 ( 7.199 0.000 15.916) 17.469 13.635 ( 4.831 0.000 -2.493) 5.436 13.704 ( -3.145 0.000 2.801) 4.212 13.802 ( 6.545 0.000 6.281) 9.072 13.867 ( -1.301 0.000 8.785) 8.880 13.882 ( -1.483 0.000 -3.755) 4.037 13.918 ( 0.735 0.000 -3.762) 3.833 13.999 ( -1.760 0.000 0.114) 1.764 14.011 ( -1.375 0.000 0.859) 1.621 14.043 ( 4.709 0.000 -2.517) 5.340 14.068 ( 10.775 0.000 -1.789) 10.923 14.072 ( 0.047 0.000 3.252) 3.252 14.133 ( -3.524 0.000 2.242) 4.177 14.158 ( -3.352 0.000 3.919) 5.157 14.296 ( 0.382 0.000 -3.908) 3.927 14.360 ( -8.740 0.000 -0.317) 8.745 14.475 ( -6.906 0.000 -1.749) 7.124 14.520 ( -3.254 0.000 -3.112) 4.503 14.590 ( 0.338 0.000 4.634) 4.647 14.624 ( 1.226 0.000 5.811) 5.939 14.711 ( 3.009 0.000 3.503) 4.618 14.741 ( 2.003 0.000 2.021) 2.845 14.867 ( 1.236 0.000 5.891) 6.019 14.955 ( 0.403 0.000 2.849) 2.877 15.152 ( -0.637 0.000 -4.751) 4.793 15.160 ( 1.499 0.000 -2.427) 2.853 15.255 ( 9.261 0.000 -1.822) 9.439 15.430 ( -4.244 0.000 3.451) 5.470 15.528 ( -1.440 0.000 1.876) 2.365 15.531 ( -4.116 0.000 -0.589) 4.158 15.604 ( -5.802 0.000 0.582) 5.831 15.735 ( -3.273 0.000 4.507) 5.571 15.742 ( 7.797 0.000 -3.326) 8.476 15.823 ( 5.916 0.000 2.941) 6.607 15.860 ( 5.394 0.000 2.444) 5.922 15.924 ( 6.714 0.000 -0.724) 6.753 16.046 ( 3.136 0.000 -0.585) 3.190 16.099 ( -5.621 0.000 3.930) 6.859 16.111 ( -2.569 0.000 -0.935) 2.734 16.175 ( -6.106 0.000 -1.739) 6.348 16.223 ( -1.990 0.000 6.162) 6.475 16.259 ( 2.982 0.000 -7.692) 8.249 16.343 ( -1.708 0.000 2.686) 3.183 16.348 ( 0.636 0.000 -4.741) 4.783 16.565 ( -1.076 0.000 -12.002) 12.050 16.627 ( -2.393 0.000 -4.180) 4.816 17.298 ( 2.653 0.000 -14.203) 14.448 17.330 ( 2.821 0.000 -15.280) 15.538 17.347 ( 6.974 0.000 -12.335) 14.170 17.476 ( -2.966 0.000 -14.764) 15.059 17.517 ( -6.106 0.000 -17.407) 18.447 17.550 ( 1.115 0.000 -14.972) 15.013 17.680 ( -3.414 0.000 -12.603) 13.057 17.707 ( 4.562 0.000 -24.717) 25.135 17.748 ( -1.850 0.000 -11.532) 11.680 17.806 ( 3.721 0.000 -12.367) 12.915 17.897 ( -0.156 0.000 -12.303) 12.304 17.904 ( -2.165 0.000 -18.413) 18.540 17.946 ( 1.013 0.000 -20.274) 20.299 18.107 ( -3.377 0.000 -8.189) 8.858 18.148 ( 1.647 0.000 -4.712) 4.992 18.329 ( -5.295 0.000 -3.742) 6.484 18.565 ( 0.737 0.000 -23.327) 23.339 18.631 ( -1.863 0.000 -17.336) 17.436 18.677 ( 3.471 0.000 -14.607) 15.013 18.722 ( 2.800 0.000 -4.792) 5.550 18.737 ( -0.266 0.000 -9.925) 9.929 18.774 ( -0.655 0.000 -6.669) 6.701 18.780 ( -0.549 0.000 -6.679) 6.702 18.903 ( -1.449 0.000 -2.274) 2.696 19.086 ( 5.045 0.000 -10.392) 11.552 19.099 ( 7.333 0.000 -8.887) 11.522 19.165 ( -2.162 0.000 -9.818) 10.053 19.177 ( -1.439 0.000 -9.243) 9.354 19.361 ( -4.520 0.000 -9.684) 10.687 19.446 ( 1.882 0.000 -14.018) 14.144 19.462 ( -5.299 0.000 -10.838) 12.065 19.675 ( 2.937 0.000 -15.331) 15.610 19.718 ( -4.570 0.000 -12.672) 13.470 19.797 ( 3.567 0.000 -16.470) 16.852 19.809 ( -2.609 0.000 -13.950) 14.192 20.062 ( -6.846 0.000 -22.278) 23.306 ======================= Grid point 77 (21/36) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -12.861 0.000 4.834) 13.739 1.209 ( 12.861 0.000 4.834) 13.739 1.472 ( -11.540 0.000 3.241) 11.986 1.472 ( 11.540 0.000 3.241) 11.986 1.795 ( -8.941 0.000 -0.435) 8.952 1.795 ( 8.941 0.000 -0.435) 8.952 1.826 ( -3.108 0.000 -1.277) 3.360 1.826 ( 3.108 0.000 -1.277) 3.360 2.142 ( -7.241 0.000 -2.177) 7.561 2.142 ( 7.241 0.000 -2.177) 7.561 2.187 ( -8.227 0.000 -3.305) 8.866 2.187 ( 8.227 0.000 -3.305) 8.866 2.330 ( -6.135 0.000 2.539) 6.640 2.330 ( 6.135 0.000 2.539) 6.640 2.454 ( -3.504 0.000 6.448) 7.339 2.454 ( 3.504 0.000 6.448) 7.339 2.665 ( -3.304 0.000 7.650) 8.334 2.665 ( 3.304 0.000 7.650) 8.334 2.714 ( -1.148 0.000 1.167) 1.637 2.714 ( 1.148 0.000 1.167) 1.637 2.842 ( -1.605 0.000 10.948) 11.065 2.842 ( 1.605 0.000 10.948) 11.065 3.101 ( -4.478 0.000 1.509) 4.726 3.101 ( 4.478 0.000 1.509) 4.726 4.535 ( -0.936 0.000 16.386) 16.413 4.535 ( 0.936 0.000 16.386) 16.413 5.066 ( -22.125 0.000 20.563) 30.205 5.066 ( 22.125 0.000 20.563) 30.205 5.191 ( -6.461 0.000 1.287) 6.588 5.191 ( 6.461 0.000 1.287) 6.588 5.666 ( -13.752 0.000 8.553) 16.195 5.666 ( 13.752 0.000 8.553) 16.195 5.837 ( -7.813 0.000 12.622) 14.845 5.837 ( 7.813 0.000 12.622) 14.845 6.333 ( -1.788 0.000 -0.612) 1.890 6.333 ( 1.788 0.000 -0.612) 1.890 6.403 ( -8.424 0.000 15.490) 17.633 6.403 ( 8.424 0.000 15.490) 17.633 6.517 ( -4.768 0.000 -1.297) 4.941 6.517 ( 4.768 0.000 -1.297) 4.941 6.708 ( -0.801 0.000 -0.320) 0.863 6.708 ( 0.801 0.000 -0.320) 0.863 6.865 ( -11.073 0.000 -3.987) 11.769 6.865 ( 11.073 0.000 -3.987) 11.769 7.067 ( -12.034 0.000 26.784) 29.363 7.067 ( 12.034 0.000 26.784) 29.363 7.156 ( -9.628 0.000 2.585) 9.969 7.156 ( 9.628 0.000 2.585) 9.969 7.207 ( -3.237 0.000 -3.806) 4.996 7.207 ( 3.237 0.000 -3.806) 4.996 7.472 ( -8.451 0.000 13.388) 15.832 7.472 ( 8.451 0.000 13.388) 15.832 7.527 ( -5.174 0.000 12.322) 13.364 7.527 ( 5.174 0.000 12.322) 13.364 7.688 ( -4.416 0.000 -3.338) 5.536 7.688 ( 4.416 0.000 -3.338) 5.536 8.007 ( -4.176 0.000 11.288) 12.036 8.007 ( 4.176 0.000 11.288) 12.036 8.042 ( -4.373 0.000 13.325) 14.025 8.042 ( 4.373 0.000 13.325) 14.025 8.140 ( -7.804 0.000 6.189) 9.960 8.140 ( 7.804 0.000 6.189) 9.960 8.401 ( -6.784 0.000 10.533) 12.529 8.401 ( 6.784 0.000 10.533) 12.529 8.512 ( -10.343 0.000 1.035) 10.395 8.512 ( 10.343 0.000 1.035) 10.395 8.675 ( -14.911 0.000 14.444) 20.760 8.675 ( 14.911 0.000 14.444) 20.760 8.696 ( -3.801 0.000 0.784) 3.881 8.696 ( 3.801 0.000 0.784) 3.881 8.839 ( -3.875 0.000 8.400) 9.251 8.839 ( 3.875 0.000 8.400) 9.251 8.845 ( -5.535 0.000 3.669) 6.641 8.845 ( 5.535 0.000 3.669) 6.641 9.094 ( -0.802 0.000 3.893) 3.975 9.094 ( 0.802 0.000 3.893) 3.975 9.151 ( -4.683 0.000 -3.134) 5.634 9.151 ( 4.683 0.000 -3.134) 5.634 9.417 ( -2.047 0.000 3.386) 3.957 9.417 ( 2.047 0.000 3.386) 3.957 9.575 ( -3.879 0.000 0.311) 3.892 9.575 ( 3.879 0.000 0.311) 3.892 9.654 ( -6.075 0.000 1.677) 6.302 9.654 ( 6.075 0.000 1.677) 6.302 9.726 ( -5.618 0.000 2.958) 6.349 9.726 ( 5.618 0.000 2.958) 6.349 10.013 ( -2.750 0.000 2.802) 3.926 10.013 ( 2.750 0.000 2.802) 3.926 10.133 ( -3.839 0.000 -0.826) 3.927 10.133 ( 3.839 0.000 -0.826) 3.927 10.182 ( -1.563 0.000 -2.569) 3.007 10.182 ( 1.563 0.000 -2.569) 3.007 10.291 ( -0.736 0.000 0.339) 0.810 10.291 ( 0.736 0.000 0.339) 0.810 10.389 ( -7.127 0.000 -4.337) 8.343 10.389 ( 7.127 0.000 -4.337) 8.343 10.513 ( -2.147 0.000 -4.302) 4.808 10.513 ( 2.147 0.000 -4.302) 4.808 10.676 ( -3.598 0.000 2.387) 4.318 10.676 ( 3.598 0.000 2.387) 4.318 10.734 ( -7.973 0.000 -3.419) 8.675 10.734 ( 7.973 0.000 -3.419) 8.675 10.825 ( -1.443 0.000 2.202) 2.633 10.825 ( 1.443 0.000 2.202) 2.633 11.005 ( -0.205 0.000 1.076) 1.095 11.005 ( 0.205 0.000 1.076) 1.095 11.012 ( -2.430 0.000 1.756) 2.998 11.012 ( 2.430 0.000 1.756) 2.998 11.050 ( -4.810 0.000 5.381) 7.217 11.050 ( 4.810 0.000 5.381) 7.217 11.286 ( -4.504 0.000 -8.626) 9.731 11.286 ( 4.504 0.000 -8.626) 9.731 11.311 ( -0.825 0.000 3.249) 3.352 11.311 ( 0.825 0.000 3.249) 3.352 11.495 ( -0.495 0.000 0.134) 0.512 11.495 ( 0.495 0.000 0.134) 0.512 11.561 ( -3.317 0.000 0.616) 3.374 11.561 ( 3.317 0.000 0.616) 3.374 11.645 ( -7.656 0.000 7.352) 10.615 11.645 ( 7.656 0.000 7.352) 10.615 11.763 ( -8.601 0.000 -0.279) 8.606 11.763 ( 8.601 0.000 -0.279) 8.606 11.775 ( -2.886 0.000 0.963) 3.043 11.775 ( 2.886 0.000 0.963) 3.043 11.917 ( -2.674 0.000 5.688) 6.286 11.917 ( 2.674 0.000 5.688) 6.286 11.979 ( -2.032 0.000 19.435) 19.541 11.979 ( 2.032 0.000 19.435) 19.541 12.132 ( -2.046 0.000 8.522) 8.764 12.132 ( 2.046 0.000 8.522) 8.764 12.132 ( -3.103 0.000 0.958) 3.247 12.132 ( 3.103 0.000 0.958) 3.247 12.328 ( -3.635 0.000 -1.843) 4.076 12.328 ( 3.635 0.000 -1.843) 4.076 12.366 ( -7.970 0.000 10.427) 13.124 12.366 ( 7.970 0.000 10.427) 13.124 12.476 ( -4.188 0.000 6.097) 7.397 12.476 ( 4.188 0.000 6.097) 7.397 12.570 ( -1.546 0.000 2.566) 2.996 12.570 ( 1.546 0.000 2.566) 2.996 12.609 ( -4.517 0.000 2.008) 4.943 12.609 ( 4.517 0.000 2.008) 4.943 12.682 ( -0.491 0.000 7.237) 7.253 12.682 ( 0.491 0.000 7.237) 7.253 12.868 ( -1.995 0.000 5.355) 5.714 12.868 ( 1.995 0.000 5.355) 5.714 12.906 ( -5.442 0.000 1.381) 5.615 12.906 ( 5.442 0.000 1.381) 5.615 13.056 ( -0.613 0.000 4.702) 4.742 13.056 ( 0.613 0.000 4.702) 4.742 13.089 ( -0.414 0.000 6.903) 6.915 13.089 ( 0.414 0.000 6.903) 6.915 13.119 ( -7.175 0.000 -0.156) 7.177 13.119 ( 7.175 0.000 -0.156) 7.177 13.200 ( -3.324 0.000 1.736) 3.750 13.200 ( 3.324 0.000 1.736) 3.750 13.340 ( -2.763 0.000 4.342) 5.147 13.340 ( 2.763 0.000 4.342) 5.147 13.602 ( -7.348 0.000 9.751) 12.210 13.602 ( 7.348 0.000 9.751) 12.210 13.778 ( -9.054 0.000 -3.581) 9.737 13.778 ( 9.054 0.000 -3.581) 9.737 13.852 ( -3.605 0.000 3.609) 5.101 13.852 ( 3.605 0.000 3.609) 5.101 13.936 ( -1.494 0.000 -1.985) 2.484 13.936 ( 1.494 0.000 -1.985) 2.484 14.059 ( -6.086 0.000 5.228) 8.023 14.059 ( 6.086 0.000 5.228) 8.023 14.084 ( -1.559 0.000 4.310) 4.584 14.084 ( 1.559 0.000 4.310) 4.584 14.200 ( -8.354 0.000 -2.551) 8.735 14.200 ( 8.354 0.000 -2.551) 8.735 14.275 ( -7.238 0.000 -2.963) 7.821 14.275 ( 7.238 0.000 -2.963) 7.821 14.420 ( -4.661 0.000 -1.275) 4.832 14.420 ( 4.661 0.000 -1.275) 4.832 14.660 ( -6.120 0.000 0.464) 6.138 14.660 ( 6.120 0.000 0.464) 6.138 14.668 ( -3.449 0.000 5.426) 6.429 14.668 ( 3.449 0.000 5.426) 6.429 15.015 ( -10.246 0.000 0.091) 10.246 15.015 ( 10.246 0.000 0.091) 10.246 15.086 ( -8.446 0.000 2.746) 8.881 15.086 ( 8.446 0.000 2.746) 8.881 15.425 ( -8.427 0.000 -0.212) 8.430 15.425 ( 8.427 0.000 -0.212) 8.430 15.455 ( -3.879 0.000 1.508) 4.161 15.455 ( 3.879 0.000 1.508) 4.161 15.631 ( -6.487 0.000 1.007) 6.565 15.631 ( 6.487 0.000 1.007) 6.565 15.890 ( -5.465 0.000 -2.899) 6.186 15.890 ( 5.465 0.000 -2.899) 6.186 15.976 ( -5.911 0.000 5.078) 7.792 15.976 ( 5.911 0.000 5.078) 7.792 15.992 ( -8.233 0.000 0.373) 8.242 15.992 ( 8.233 0.000 0.373) 8.242 16.094 ( -1.818 0.000 -0.933) 2.043 16.094 ( 1.818 0.000 -0.933) 2.043 16.269 ( -5.389 0.000 3.304) 6.321 16.269 ( 5.389 0.000 3.304) 6.321 16.332 ( -3.036 0.000 -8.724) 9.237 16.332 ( 3.036 0.000 -8.724) 9.237 16.574 ( -2.373 0.000 -5.771) 6.240 16.574 ( 2.373 0.000 -5.771) 6.240 17.365 ( -2.437 0.000 -16.030) 16.214 17.365 ( 2.437 0.000 -16.030) 16.214 17.426 ( -1.112 0.000 -15.577) 15.617 17.426 ( 1.112 0.000 -15.577) 15.617 17.496 ( -7.269 0.000 -12.138) 14.149 17.496 ( 7.269 0.000 -12.138) 14.149 17.679 ( -4.080 0.000 -15.071) 15.613 17.679 ( 4.080 0.000 -15.071) 15.613 17.819 ( -5.551 0.000 -21.347) 22.057 17.819 ( 5.551 0.000 -21.347) 22.057 17.870 ( -2.722 0.000 -12.119) 12.421 17.870 ( 2.722 0.000 -12.119) 12.421 18.019 ( -5.134 0.000 -13.172) 14.138 18.019 ( 5.134 0.000 -13.172) 14.138 18.217 ( -5.472 0.000 -4.385) 7.013 18.217 ( 5.472 0.000 -4.385) 7.013 18.593 ( -2.010 0.000 -19.385) 19.489 18.593 ( 2.010 0.000 -19.385) 19.489 18.741 ( -2.722 0.000 -6.849) 7.370 18.741 ( 2.722 0.000 -6.849) 7.370 18.753 ( -1.362 0.000 -8.026) 8.141 18.753 ( 1.362 0.000 -8.026) 8.141 18.827 ( -6.407 0.000 -8.226) 10.427 18.827 ( 6.407 0.000 -8.226) 10.427 19.111 ( -1.769 0.000 -7.818) 8.015 19.111 ( 1.769 0.000 -7.818) 8.015 19.245 ( -7.393 0.000 -9.199) 11.802 19.245 ( 7.393 0.000 -9.199) 11.802 19.302 ( -9.310 0.000 -14.090) 16.888 19.302 ( 9.310 0.000 -14.090) 16.888 19.557 ( -7.799 0.000 -11.572) 13.954 19.557 ( 7.799 0.000 -11.572) 13.954 19.744 ( -3.929 0.000 -14.554) 15.075 19.744 ( 3.929 0.000 -14.554) 15.075 19.925 ( -7.337 0.000 -17.429) 18.910 19.925 ( 7.337 0.000 -17.429) 18.910 ======================= Grid point 81 (22/36) ======================= q-point: ( 0.25 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 5.525 5.525 7.251) 10.660 1.283 ( 6.094 6.094 4.302) 9.633 1.510 ( 0.886 0.886 1.227) 1.754 1.563 ( 7.992 7.992 4.018) 11.996 1.759 ( 0.763 0.763 -1.397) 1.765 1.779 ( -0.116 -0.116 -0.409) 0.441 1.800 ( -0.135 -0.135 0.549) 0.582 1.882 ( -2.981 -2.981 0.110) 4.217 1.970 ( 0.585 0.585 -5.355) 5.418 2.112 ( -3.625 -3.625 0.370) 5.140 2.164 ( 9.267 9.267 -2.371) 13.319 2.268 ( -3.440 -3.440 2.993) 5.712 2.320 ( -3.029 -3.029 -1.282) 4.472 2.378 ( 1.033 1.033 4.957) 5.167 2.463 ( 1.898 1.898 -1.589) 3.119 2.550 ( 0.615 0.615 6.456) 6.514 2.561 ( 2.829 2.829 9.514) 10.321 2.672 ( -1.496 -1.496 6.714) 7.040 2.703 ( -1.480 -1.480 0.860) 2.263 2.731 ( -1.937 -1.937 2.027) 3.407 2.834 ( 0.541 0.541 11.257) 11.283 2.876 ( -1.351 -1.351 9.638) 9.826 3.043 ( -1.093 -1.093 2.933) 3.316 3.154 ( -4.823 -4.823 0.785) 6.866 4.526 ( -1.756 -1.756 19.268) 19.427 4.543 ( -1.824 -1.824 16.671) 16.869 4.842 ( 12.743 12.743 17.357) 25.021 5.131 ( 5.729 5.729 0.759) 8.138 5.347 ( 0.234 0.234 4.855) 4.866 5.389 ( 3.370 3.370 4.442) 6.515 5.475 ( -3.705 -3.705 18.658) 19.380 5.684 ( -2.825 -2.825 13.755) 14.324 5.910 ( -2.306 -2.306 12.534) 12.951 5.927 ( -0.364 -0.364 13.603) 13.612 6.123 ( -3.124 -3.124 9.175) 10.184 6.309 ( 1.959 1.959 -1.348) 3.081 6.366 ( 5.003 5.003 6.992) 9.947 6.473 ( -3.171 -3.171 15.221) 15.868 6.559 ( -6.378 -6.378 2.167) 9.276 6.619 ( -2.427 -2.427 -0.123) 3.435 6.627 ( 1.941 1.941 -9.127) 9.531 6.689 ( 2.317 2.317 -6.253) 7.060 6.703 ( -0.047 -0.047 1.179) 1.180 6.937 ( 16.027 16.027 13.443) 26.352 6.977 ( -1.750 -1.750 -3.768) 4.508 7.018 ( 1.869 1.869 11.368) 11.671 7.207 ( -6.554 -6.554 -5.275) 10.665 7.220 ( -1.385 -1.385 23.562) 23.643 7.276 ( -1.427 -1.427 0.848) 2.189 7.277 ( -0.380 -0.380 22.494) 22.500 7.389 ( 1.683 1.683 -2.558) 3.494 7.447 ( -6.015 -6.015 10.117) 13.218 7.495 ( -5.528 -5.528 7.040) 10.521 7.574 ( -7.396 -7.396 12.079) 15.978 7.660 ( -6.241 -6.241 -7.213) 11.398 7.677 ( -4.944 -4.944 13.365) 15.083 8.003 ( 0.760 0.760 21.171) 21.198 8.021 ( -0.108 -0.108 18.058) 18.059 8.110 ( 3.972 3.972 4.892) 7.449 8.211 ( 1.107 1.107 12.322) 12.421 8.237 ( 7.850 7.850 5.026) 12.186 8.257 ( 2.920 2.920 10.010) 10.829 8.278 ( 0.134 0.134 11.775) 11.777 8.295 ( 1.802 1.802 0.234) 2.559 8.362 ( 0.858 0.858 12.133) 12.193 8.482 ( -4.758 -4.758 -4.621) 8.162 8.565 ( -2.117 -2.117 -4.205) 5.163 8.601 ( -3.769 -3.769 13.878) 14.866 8.682 ( 2.565 2.565 1.523) 3.935 8.780 ( -0.671 -0.671 8.273) 8.327 8.813 ( -3.278 -3.278 -0.386) 4.651 8.875 ( -2.914 -2.914 11.289) 12.018 8.932 ( 1.686 1.686 2.895) 3.750 8.966 ( -1.226 -1.226 -0.144) 1.740 9.074 ( 3.715 3.715 -0.333) 5.264 9.077 ( 2.539 2.539 5.107) 6.242 9.152 ( 1.240 1.240 15.564) 15.662 9.187 ( -0.315 -0.315 -1.312) 1.386 9.370 ( 3.917 3.917 -0.728) 5.587 9.457 ( 0.650 0.650 3.977) 4.082 9.497 ( 4.224 4.224 2.396) 6.436 9.536 ( 2.855 2.855 2.743) 4.881 9.623 ( 2.492 2.492 -1.761) 3.940 9.657 ( 8.543 8.543 2.013) 12.248 9.671 ( -4.578 -4.578 2.990) 7.132 9.864 ( 1.617 1.617 1.916) 2.983 10.019 ( -0.631 -0.631 2.928) 3.061 10.039 ( -1.748 -1.748 -2.752) 3.699 10.046 ( -1.572 -1.572 1.228) 2.539 10.077 ( -3.802 -3.802 -0.389) 5.391 10.202 ( 2.239 2.239 -0.501) 3.205 10.220 ( 3.394 3.394 -3.108) 5.718 10.325 ( 3.273 3.273 1.175) 4.776 10.328 ( -0.734 -0.734 -1.143) 1.544 10.364 ( -1.289 -1.289 -1.251) 2.211 10.439 ( -0.775 -0.775 -6.892) 6.979 10.467 ( 0.189 0.189 -5.628) 5.635 10.534 ( -1.410 -1.410 -0.955) 2.211 10.580 ( -2.753 -2.753 -0.698) 3.955 10.649 ( -0.300 -0.300 -0.608) 0.741 10.703 ( 1.410 1.410 -1.528) 2.513 10.791 ( -1.662 -1.662 2.742) 3.611 10.914 ( -0.721 -0.721 -1.340) 1.684 10.914 ( -2.417 -2.417 3.309) 4.758 10.940 ( -0.158 -0.158 5.402) 5.407 10.954 ( -0.761 -0.761 -1.036) 1.494 11.004 ( -0.916 -0.916 6.202) 6.336 11.050 ( 0.361 0.361 -1.810) 1.881 11.120 ( -0.997 -0.997 8.879) 8.990 11.137 ( 0.477 0.477 -9.803) 9.826 11.204 ( -0.493 -0.493 4.805) 4.855 11.217 ( -1.118 -1.118 -5.351) 5.580 11.344 ( -2.129 -2.129 -6.166) 6.861 11.353 ( 2.163 2.163 0.579) 3.113 11.381 ( 2.578 2.578 3.729) 5.215 11.393 ( -2.568 -2.568 -1.334) 3.869 11.508 ( 2.227 2.227 6.956) 7.636 11.619 ( 3.153 3.153 1.364) 4.663 11.652 ( 2.702 2.702 -2.599) 4.621 11.685 ( 7.715 7.715 1.080) 10.964 11.747 ( -1.169 -1.169 3.290) 3.682 11.755 ( -4.055 -4.055 7.678) 9.583 11.781 ( -3.127 -3.127 3.383) 5.568 11.846 ( -2.865 -2.865 2.514) 4.768 11.888 ( -0.893 -0.893 12.970) 13.032 11.944 ( -2.976 -2.976 5.521) 6.943 11.993 ( -0.636 -0.636 18.919) 18.940 12.030 ( -1.151 -1.151 10.204) 10.333 12.103 ( 2.326 2.326 0.369) 3.311 12.124 ( 0.527 0.527 12.445) 12.467 12.140 ( 1.385 1.385 1.287) 2.344 12.174 ( 2.734 2.734 5.706) 6.893 12.255 ( -2.093 -2.093 -3.647) 4.697 12.273 ( 1.443 1.443 10.947) 11.135 12.378 ( -2.123 -2.123 -2.110) 3.670 12.388 ( 0.780 0.780 -0.619) 1.265 12.473 ( -0.319 -0.319 7.757) 7.770 12.491 ( -3.329 -3.329 9.346) 10.465 12.566 ( 0.585 0.585 -0.125) 0.836 12.603 ( -0.295 -0.295 0.409) 0.584 12.616 ( 0.137 0.137 7.785) 7.788 12.650 ( 0.143 0.143 6.831) 6.834 12.686 ( 1.770 1.770 4.895) 5.498 12.700 ( 1.728 1.728 1.950) 3.127 12.758 ( -3.680 -3.680 10.177) 11.431 12.794 ( 2.619 2.619 7.348) 8.229 12.823 ( 1.000 1.000 -2.134) 2.560 12.980 ( -2.433 -2.433 4.108) 5.358 13.008 ( -2.178 -2.178 3.182) 4.428 13.038 ( -1.377 -1.377 8.706) 8.921 13.042 ( 1.437 1.437 5.390) 5.761 13.126 ( 0.590 0.590 6.268) 6.323 13.181 ( 0.367 0.367 -4.137) 4.170 13.182 ( 1.295 1.295 5.756) 6.041 13.189 ( -1.172 -1.172 1.665) 2.350 13.305 ( 2.932 2.932 1.572) 4.435 13.320 ( 0.687 0.687 -1.070) 1.445 13.431 ( 0.568 0.568 2.992) 3.098 13.453 ( 2.756 2.756 16.200) 16.662 13.595 ( -0.916 -0.916 -0.294) 1.329 13.708 ( 0.174 0.174 3.436) 3.445 13.815 ( 0.439 0.439 1.705) 1.815 13.817 ( -2.488 -2.488 8.134) 8.862 13.900 ( -2.402 -2.402 -0.419) 3.423 13.917 ( -0.303 -0.303 -1.150) 1.227 13.981 ( -1.603 -1.603 0.378) 2.299 14.045 ( 1.396 1.396 -1.486) 2.471 14.065 ( 1.391 1.391 0.062) 1.968 14.072 ( 4.438 4.438 0.335) 6.286 14.075 ( -1.153 -1.153 4.351) 4.646 14.170 ( 8.505 8.505 0.673) 12.047 14.181 ( -0.734 -0.734 -1.109) 1.519 14.301 ( 1.503 1.503 -3.043) 3.711 14.338 ( -3.516 -3.516 0.151) 4.975 14.458 ( -3.176 -3.176 -0.491) 4.518 14.494 ( -2.278 -2.278 -2.411) 4.024 14.561 ( -0.306 -0.306 4.900) 4.919 14.663 ( 1.481 1.481 1.756) 2.733 14.696 ( -0.803 -0.803 3.350) 3.537 14.732 ( -0.853 -0.853 3.591) 3.788 14.775 ( -3.858 -3.858 4.006) 6.769 15.046 ( 7.729 7.729 2.824) 11.289 15.065 ( -7.312 -7.312 -0.748) 10.367 15.265 ( 3.794 3.794 -3.656) 6.493 15.311 ( 5.558 5.558 -2.142) 8.147 15.388 ( 0.512 0.512 2.681) 2.777 15.496 ( -2.197 -2.197 1.270) 3.356 15.574 ( 0.140 0.140 3.333) 3.339 15.659 ( -0.120 -0.120 0.651) 0.672 15.685 ( 1.147 1.147 -1.164) 1.997 15.748 ( 0.657 0.657 1.944) 2.155 15.847 ( 3.245 3.245 2.159) 5.072 15.870 ( -0.627 -0.627 -0.693) 1.126 15.944 ( 3.738 3.738 4.492) 6.937 16.065 ( -2.680 -2.680 1.681) 4.146 16.081 ( -3.065 -3.065 -2.479) 4.994 16.139 ( -4.473 -4.473 4.239) 7.615 16.141 ( 4.955 4.955 -0.973) 7.074 16.209 ( -0.701 -0.701 -0.621) 1.170 16.271 ( 2.060 2.060 -8.642) 9.120 16.285 ( -1.536 -1.536 1.710) 2.765 16.383 ( 0.273 0.273 -4.369) 4.386 16.553 ( -0.803 -0.803 -9.737) 9.803 16.607 ( -2.029 -2.029 -3.937) 4.872 17.336 ( 2.595 2.595 -16.993) 17.385 17.353 ( 2.131 2.131 -15.269) 15.564 17.376 ( 4.033 4.033 -11.466) 12.806 17.452 ( -2.311 -2.311 -15.009) 15.361 17.492 ( -2.468 -2.468 -19.075) 19.392 17.567 ( 1.531 1.531 -14.486) 14.647 17.644 ( -3.883 -3.883 -10.316) 11.686 17.681 ( -3.267 -3.267 -12.797) 13.605 17.722 ( 1.419 1.419 -22.799) 22.888 17.856 ( -4.525 -4.525 -23.590) 24.443 17.863 ( 3.405 3.405 -12.932) 13.800 17.934 ( 0.325 0.325 -15.273) 15.279 17.947 ( 2.940 2.940 -10.987) 11.747 18.097 ( -1.741 -1.741 -7.741) 8.123 18.161 ( 1.812 1.812 -5.933) 6.463 18.299 ( -3.144 -3.144 -3.984) 5.970 18.561 ( -0.051 -0.051 -21.814) 21.814 18.612 ( -1.815 -1.815 -17.793) 17.977 18.699 ( 2.657 2.657 -13.150) 13.677 18.717 ( 0.666 0.666 -7.894) 7.950 18.748 ( -0.963 -0.963 -6.372) 6.516 18.764 ( 1.950 1.950 -7.950) 8.415 18.812 ( 1.061 1.061 -7.144) 7.299 18.886 ( -2.022 -2.022 -3.438) 4.472 19.074 ( -2.234 -2.234 -9.476) 9.989 19.117 ( -2.575 -2.575 -7.428) 8.273 19.172 ( 4.939 4.939 -9.811) 12.043 19.214 ( 5.503 5.503 -12.044) 14.339 19.404 ( 0.135 0.135 -11.068) 11.069 19.409 ( -0.650 -0.650 -13.149) 13.181 19.456 ( -1.402 -1.402 -10.963) 11.141 19.599 ( -3.095 -3.095 -14.620) 15.261 19.710 ( -5.705 -5.705 -15.459) 17.438 19.724 ( -4.466 -4.466 -11.850) 13.428 19.864 ( 5.257 5.257 -16.164) 17.792 20.031 ( -2.949 -2.949 -19.393) 19.837 ======================= Grid point 82 (23/36) ======================= q-point: (-0.50 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -9.029 0.478 3.679) 9.761 1.212 ( 9.029 0.478 3.679) 9.761 1.615 ( -6.843 12.494 2.501) 14.463 1.615 ( 6.843 12.494 2.501) 14.463 1.792 ( -3.378 -0.806 -0.670) 3.536 1.792 ( 3.378 -0.806 -0.670) 3.536 1.812 ( -6.529 -0.485 1.452) 6.706 1.812 ( 6.529 -0.485 1.452) 6.706 2.038 ( -6.259 -4.985 -3.909) 8.906 2.038 ( 6.259 -4.985 -3.909) 8.906 2.234 ( -2.038 -6.041 2.276) 6.769 2.234 ( 2.038 -6.041 2.276) 6.769 2.337 ( -7.005 6.902 -1.804) 9.998 2.337 ( 7.005 6.902 -1.804) 9.998 2.501 ( -3.639 2.606 3.438) 5.644 2.501 ( 3.639 2.606 3.438) 5.644 2.645 ( -2.728 -1.598 7.320) 7.973 2.645 ( 2.728 -1.598 7.320) 7.973 2.700 ( -0.809 -0.548 3.682) 3.810 2.700 ( 0.809 -0.548 3.682) 3.810 2.844 ( -1.184 -0.129 10.861) 10.926 2.844 ( 1.184 -0.129 10.861) 10.926 3.062 ( -3.586 -3.567 1.548) 5.290 3.062 ( 3.586 -3.567 1.548) 5.290 4.513 ( -0.733 -1.993 18.365) 18.487 4.513 ( 0.733 -1.993 18.365) 18.487 5.133 ( -14.582 8.127 14.571) 22.158 5.133 ( 14.582 8.127 14.571) 22.158 5.298 ( -6.072 7.848 5.204) 11.204 5.298 ( 6.072 7.848 5.204) 11.204 5.613 ( -8.392 -6.491 7.726) 13.124 5.613 ( 8.392 -6.491 7.726) 13.124 5.846 ( -0.653 3.218 14.133) 14.510 5.846 ( 0.653 3.218 14.133) 14.510 6.290 ( -12.022 -10.415 11.565) 19.666 6.290 ( 12.022 -10.415 11.565) 19.666 6.406 ( -5.714 1.400 3.603) 6.899 6.406 ( 5.714 1.400 3.603) 6.899 6.500 ( -6.351 4.277 4.497) 8.880 6.500 ( 6.351 4.277 4.497) 8.880 6.682 ( -2.270 -2.289 -7.043) 7.746 6.682 ( 2.270 -2.289 -7.043) 7.746 6.852 ( -10.561 -0.609 -2.385) 10.844 6.852 ( 10.561 -0.609 -2.385) 10.844 7.075 ( -4.592 -4.742 2.727) 7.142 7.075 ( 4.592 -4.742 2.727) 7.142 7.191 ( -5.127 6.416 19.318) 20.991 7.191 ( 5.127 6.416 19.318) 20.991 7.270 ( -5.128 3.126 -1.275) 6.140 7.270 ( 5.128 3.126 -1.275) 6.140 7.357 ( -6.652 -8.180 17.807) 20.695 7.357 ( 6.652 -8.180 17.807) 20.695 7.488 ( -5.826 -1.362 7.229) 9.384 7.488 ( 5.826 -1.362 7.229) 9.384 7.600 ( -1.932 -4.281 0.270) 4.704 7.600 ( 1.932 -4.281 0.270) 4.704 8.015 ( -1.460 -0.384 19.584) 19.642 8.015 ( 1.460 -0.384 19.584) 19.642 8.163 ( -3.464 5.641 5.461) 8.582 8.163 ( 3.464 5.641 5.461) 8.582 8.228 ( -1.803 7.942 9.403) 12.439 8.228 ( 1.803 7.942 9.403) 12.439 8.375 ( -4.697 -2.480 3.893) 6.585 8.375 ( 4.697 -2.480 3.893) 6.585 8.441 ( -4.855 -5.176 7.985) 10.683 8.441 ( 4.855 -5.176 7.985) 10.683 8.537 ( -8.538 -7.302 2.685) 11.551 8.537 ( 8.538 -7.302 2.685) 11.551 8.731 ( -2.614 1.266 3.105) 4.252 8.731 ( 2.614 1.266 3.105) 4.252 8.798 ( -1.251 -2.043 11.777) 12.018 8.798 ( 1.251 -2.043 11.777) 12.018 8.954 ( -1.661 5.361 0.017) 5.613 8.954 ( 1.661 5.361 0.017) 5.613 9.131 ( -3.048 4.163 6.810) 8.544 9.131 ( 3.048 4.163 6.810) 8.544 9.167 ( -3.238 1.025 2.878) 4.451 9.167 ( 3.238 1.025 2.878) 4.451 9.441 ( -2.205 0.345 1.627) 2.762 9.441 ( 2.205 0.345 1.627) 2.762 9.553 ( -1.991 0.156 2.770) 3.415 9.553 ( 1.991 0.156 2.770) 3.415 9.642 ( -1.675 -0.544 1.090) 2.071 9.642 ( 1.675 -0.544 1.090) 2.071 9.816 ( -6.538 6.551 1.003) 9.310 9.816 ( 6.538 6.551 1.003) 9.310 9.999 ( -1.392 -1.633 -0.027) 2.146 9.999 ( 1.392 -1.633 -0.027) 2.146 10.043 ( -0.570 -4.596 0.793) 4.699 10.043 ( 0.570 -4.596 0.793) 4.699 10.265 ( -2.147 2.768 -2.848) 4.515 10.265 ( 2.147 2.768 -2.848) 4.515 10.304 ( -2.213 2.334 -0.026) 3.216 10.304 ( 2.213 2.334 -0.026) 3.216 10.407 ( -4.695 1.828 -2.903) 5.815 10.407 ( 4.695 1.828 -2.903) 5.815 10.471 ( -2.268 -3.339 -3.470) 5.323 10.471 ( 2.268 -3.339 -3.470) 5.323 10.632 ( -5.238 -4.331 -0.799) 6.844 10.632 ( 5.238 -4.331 -0.799) 6.844 10.734 ( -3.014 1.209 0.442) 3.278 10.734 ( 3.014 1.209 0.442) 3.278 10.876 ( -0.581 2.836 1.862) 3.442 10.876 ( 0.581 2.836 1.862) 3.442 10.944 ( -0.582 -2.510 1.771) 3.127 10.944 ( 0.582 -2.510 1.771) 3.127 11.042 ( -2.265 2.867 3.280) 4.910 11.042 ( 2.265 2.867 3.280) 4.910 11.104 ( -1.182 2.454 0.722) 2.817 11.104 ( 1.182 2.454 0.722) 2.817 11.225 ( -2.158 -4.301 -4.891) 6.861 11.225 ( 2.158 -4.301 -4.891) 6.861 11.335 ( -2.261 -2.724 -2.556) 4.367 11.335 ( 2.261 -2.724 -2.556) 4.367 11.400 ( -1.917 -2.009 2.569) 3.783 11.400 ( 1.917 -2.009 2.569) 3.783 11.605 ( -7.097 0.928 7.827) 10.606 11.605 ( 7.097 0.928 7.827) 10.606 11.662 ( -1.565 3.881 3.173) 5.252 11.662 ( 1.565 3.881 3.173) 5.252 11.758 ( -2.072 -0.496 -1.310) 2.501 11.758 ( 2.072 -0.496 -1.310) 2.501 11.808 ( -2.478 0.205 1.093) 2.716 11.808 ( 2.478 0.205 1.093) 2.716 11.885 ( -1.950 -2.755 6.800) 7.592 11.885 ( 1.950 -2.755 6.800) 7.592 11.998 ( -1.462 1.452 16.965) 17.090 11.998 ( 1.462 1.452 16.965) 17.090 12.133 ( -1.407 1.157 7.214) 7.441 12.133 ( 1.407 1.157 7.214) 7.441 12.157 ( -3.159 2.528 0.579) 4.088 12.157 ( 3.159 2.528 0.579) 4.088 12.293 ( -4.651 -2.558 1.718) 5.579 12.293 ( 4.651 -2.558 1.718) 5.579 12.348 ( -3.831 -3.812 4.700) 7.162 12.348 ( 3.831 -3.812 4.700) 7.162 12.475 ( -0.920 2.468 8.378) 8.782 12.475 ( 0.920 2.468 8.378) 8.782 12.591 ( -1.204 -0.404 0.891) 1.551 12.591 ( 1.204 -0.404 0.891) 1.551 12.621 ( -1.437 0.346 8.354) 8.484 12.621 ( 1.437 0.346 8.354) 8.484 12.696 ( -1.112 2.313 4.414) 5.106 12.696 ( 1.112 2.313 4.414) 5.106 12.788 ( -3.337 -3.416 5.417) 7.222 12.788 ( 3.337 -3.416 5.417) 7.222 12.908 ( -5.707 -3.001 4.503) 7.864 12.908 ( 5.707 -3.001 4.503) 7.864 12.996 ( -1.568 -1.236 5.244) 5.611 12.996 ( 1.568 -1.236 5.244) 5.611 13.090 ( -3.101 -1.253 5.458) 6.401 13.090 ( 3.101 -1.253 5.458) 6.401 13.168 ( -1.068 3.339 -0.788) 3.593 13.168 ( 1.068 3.339 -0.788) 3.593 13.266 ( -5.321 3.177 -1.376) 6.348 13.266 ( 5.321 3.177 -1.376) 6.348 13.379 ( -3.715 4.578 4.887) 7.658 13.379 ( 3.715 4.578 4.887) 7.658 13.555 ( -4.485 -4.433 5.611) 8.441 13.555 ( 4.485 -4.433 5.611) 8.441 13.763 ( -3.736 -2.274 1.807) 4.732 13.763 ( 3.736 -2.274 1.807) 4.732 13.819 ( -1.794 -1.946 5.915) 6.481 13.819 ( 1.794 -1.946 5.915) 6.481 13.949 ( -2.811 2.692 -1.901) 4.331 13.949 ( 2.811 2.692 -1.901) 4.331 14.049 ( -0.708 0.244 2.954) 3.047 14.049 ( 0.708 0.244 2.954) 3.047 14.122 ( -3.165 0.015 -0.976) 3.312 14.122 ( 3.165 0.015 -0.976) 3.312 14.222 ( -7.077 2.563 -1.220) 7.625 14.222 ( 7.077 2.563 -1.220) 7.625 14.321 ( -4.824 3.587 -0.351) 6.022 14.321 ( 4.824 3.587 -0.351) 6.022 14.420 ( -3.524 0.479 -0.114) 3.559 14.420 ( 3.524 0.479 -0.114) 3.559 14.613 ( -4.996 -2.365 1.606) 5.756 14.613 ( 4.996 -2.365 1.606) 5.756 14.686 ( -2.160 0.597 2.936) 3.693 14.686 ( 2.160 0.597 2.936) 3.693 14.885 ( -10.105 -8.753 2.681) 13.635 14.885 ( 10.105 -8.753 2.681) 13.635 15.212 ( -7.954 8.712 -0.049) 11.797 15.212 ( 7.954 8.712 -0.049) 11.797 15.407 ( -2.588 0.476 0.768) 2.741 15.407 ( 2.588 0.476 0.768) 2.741 15.508 ( -5.289 1.072 0.872) 5.467 15.508 ( 5.289 1.072 0.872) 5.467 15.671 ( -4.295 3.646 1.946) 5.960 15.671 ( 4.295 3.646 1.946) 5.960 15.828 ( -5.223 -3.134 -1.457) 6.263 15.828 ( 5.223 -3.134 -1.457) 6.263 15.954 ( -5.403 -1.571 2.623) 6.208 15.954 ( 5.403 -1.571 2.623) 6.208 16.004 ( -1.966 -1.638 0.841) 2.693 16.004 ( 1.966 -1.638 0.841) 2.693 16.132 ( -3.664 2.265 3.253) 5.398 16.132 ( 3.664 2.265 3.253) 5.398 16.249 ( -3.684 0.444 -2.533) 4.493 16.249 ( 3.684 0.444 -2.533) 4.493 16.348 ( -3.845 0.592 -7.985) 8.882 16.348 ( 3.845 0.592 -7.985) 8.882 16.562 ( -2.031 -1.046 -4.874) 5.383 16.562 ( 2.031 -1.046 -4.874) 5.383 17.387 ( -1.334 1.589 -17.136) 17.261 17.387 ( 1.334 1.589 -17.136) 17.261 17.410 ( -0.766 -0.651 -17.250) 17.280 17.410 ( 0.766 -0.651 -17.250) 17.280 17.516 ( -6.269 1.553 -11.137) 12.874 17.516 ( 6.269 1.553 -11.137) 12.874 17.635 ( -2.788 -3.275 -12.977) 13.671 17.635 ( 2.788 -3.275 -12.977) 13.671 17.764 ( -3.585 -4.087 -23.031) 23.664 17.764 ( 3.585 -4.087 -23.031) 23.664 17.917 ( -1.864 2.527 -12.893) 13.270 17.917 ( 1.864 2.527 -12.893) 13.270 18.030 ( -4.793 1.386 -10.348) 11.488 18.030 ( 4.793 1.386 -10.348) 11.488 18.223 ( -4.247 0.305 -4.985) 6.556 18.223 ( 4.247 0.305 -4.985) 6.556 18.577 ( -1.632 -1.291 -19.241) 19.353 18.577 ( 1.632 -1.291 -19.241) 19.353 18.725 ( -1.114 0.276 -8.224) 8.304 18.725 ( 1.114 0.276 -8.224) 8.304 18.791 ( -2.043 1.530 -8.159) 8.549 18.791 ( 2.043 1.530 -8.159) 8.549 18.818 ( -2.632 -0.530 -8.042) 8.478 18.818 ( 2.632 -0.530 -8.042) 8.478 19.060 ( -1.836 -3.946 -6.906) 8.163 19.060 ( 1.836 -3.946 -6.906) 8.163 19.298 ( -6.715 4.724 -10.941) 13.679 19.298 ( 6.715 4.724 -10.941) 13.679 19.349 ( -7.225 4.243 -13.963) 16.284 19.349 ( 7.225 4.243 -13.963) 16.284 19.518 ( -6.427 -4.003 -11.930) 14.130 19.518 ( 6.427 -4.003 -11.930) 14.130 19.659 ( -2.775 -6.729 -13.330) 15.188 19.659 ( 2.775 -6.729 -13.330) 15.188 19.959 ( -4.497 2.088 -16.628) 17.352 19.959 ( 4.497 2.088 -16.628) 17.352 ======================= Grid point 89 (24/36) ======================= q-point: (-0.50 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 34 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 0.000 0.000 2.568) 2.568 1.219 ( 0.000 0.000 2.568) 2.568 1.776 ( 0.000 0.000 0.420) 0.420 1.776 ( 0.000 0.000 0.420) 0.420 1.777 ( 0.000 0.000 -0.200) 0.200 1.777 ( 0.000 0.000 -0.200) 0.200 1.834 ( -0.000 -0.000 6.279) 6.279 1.834 ( 0.000 0.000 6.279) 6.279 1.977 ( -0.000 -0.000 -7.343) 7.343 1.977 ( 0.000 0.000 -7.343) 7.343 2.132 ( -0.000 -0.000 3.844) 3.844 2.132 ( 0.000 0.000 3.844) 3.844 2.459 ( 0.000 0.000 1.354) 1.354 2.459 ( 0.000 0.000 1.354) 1.354 2.475 ( -0.000 -0.000 -4.862) 4.862 2.475 ( 0.000 0.000 -4.862) 4.862 2.638 ( 0.000 0.000 9.131) 9.131 2.638 ( 0.000 0.000 9.131) 9.131 2.704 ( 0.000 0.000 5.593) 5.593 2.704 ( 0.000 0.000 5.593) 5.593 2.837 ( 0.000 0.000 11.380) 11.380 2.837 ( 0.000 0.000 11.380) 11.380 3.014 ( -0.000 -0.000 1.516) 1.516 3.014 ( 0.000 0.000 1.516) 1.516 4.488 ( 0.000 0.000 19.640) 19.640 4.488 ( 0.000 0.000 19.640) 19.640 5.274 ( -0.000 -0.000 14.840) 14.840 5.274 ( 0.000 0.000 14.840) 14.840 5.435 ( -0.000 -0.000 6.486) 6.486 5.435 ( 0.000 0.000 6.486) 6.486 5.441 ( 0.000 0.000 4.372) 4.372 5.441 ( 0.000 0.000 4.372) 4.372 5.972 ( -0.000 -0.000 16.522) 16.522 5.972 ( 0.000 0.000 16.522) 16.522 6.065 ( 0.000 0.000 11.650) 11.650 6.065 ( 0.000 0.000 11.650) 11.650 6.464 ( 0.000 0.000 8.724) 8.724 6.464 ( 0.000 0.000 8.724) 8.724 6.561 ( 0.000 0.000 2.118) 2.118 6.561 ( 0.000 0.000 2.118) 2.118 6.631 ( 0.000 0.000 -11.728) 11.728 6.631 ( 0.000 0.000 -11.728) 11.728 6.889 ( 0.000 0.000 -5.725) 5.725 6.889 ( 0.000 0.000 -5.725) 5.725 6.961 ( -0.000 -0.000 3.058) 3.058 6.961 ( 0.000 0.000 3.058) 3.058 7.250 ( 0.000 0.000 9.162) 9.162 7.250 ( 0.000 0.000 9.162) 9.162 7.261 ( -0.000 -0.000 32.844) 32.844 7.261 ( 0.000 0.000 32.844) 32.844 7.321 ( -0.000 -0.000 -7.611) 7.611 7.321 ( 0.000 0.000 -7.611) 7.611 7.505 ( -0.000 -0.000 12.195) 12.195 7.505 ( 0.000 0.000 12.195) 12.195 7.551 ( -0.000 -0.000 -2.956) 2.956 7.551 ( 0.000 0.000 -2.956) 2.956 8.013 ( -0.000 -0.000 24.556) 24.556 8.013 ( 0.000 0.000 24.556) 24.556 8.222 ( 0.000 0.000 9.663) 9.663 8.222 ( 0.000 0.000 9.663) 9.663 8.255 ( -0.000 -0.000 15.928) 15.928 8.255 ( 0.000 0.000 15.928) 15.928 8.356 ( -0.000 -0.000 -7.907) 7.907 8.356 ( 0.000 0.000 -7.907) 7.907 8.405 ( -0.000 -0.000 6.890) 6.890 8.405 ( 0.000 0.000 6.890) 6.890 8.479 ( 0.000 0.000 -3.334) 3.334 8.479 ( 0.000 0.000 -3.334) 3.334 8.743 ( 0.000 0.000 3.389) 3.389 8.743 ( 0.000 0.000 3.389) 3.389 8.770 ( -0.000 -0.000 16.710) 16.710 8.770 ( 0.000 0.000 16.710) 16.710 9.013 ( -0.000 -0.000 -2.166) 2.166 9.013 ( 0.000 0.000 -2.166) 2.166 9.160 ( -0.000 -0.000 2.488) 2.488 9.160 ( 0.000 0.000 2.488) 2.488 9.207 ( 0.000 0.000 12.583) 12.583 9.207 ( 0.000 0.000 12.583) 12.583 9.422 ( -0.000 -0.000 1.087) 1.087 9.422 ( -0.000 -0.000 1.087) 1.087 9.565 ( 0.000 0.000 4.098) 4.098 9.565 ( 0.000 0.000 4.098) 4.098 9.651 ( 0.000 0.000 -0.900) 0.900 9.651 ( 0.000 0.000 -0.900) 0.900 9.894 ( 0.000 0.000 -0.234) 0.234 9.894 ( 0.000 0.000 -0.234) 0.234 9.963 ( -0.000 -0.000 -1.547) 1.547 9.963 ( 0.000 0.000 -1.547) 1.547 9.998 ( 0.000 0.000 2.673) 2.673 9.998 ( 0.000 0.000 2.673) 2.673 10.285 ( -0.000 -0.000 -2.275) 2.275 10.285 ( 0.000 0.000 -2.275) 2.275 10.352 ( 0.000 0.000 -2.672) 2.672 10.352 ( 0.000 0.000 -2.672) 2.672 10.420 ( -0.000 -0.000 -6.413) 6.413 10.420 ( 0.000 0.000 -6.413) 6.413 10.432 ( -0.000 -0.000 3.980) 3.980 10.432 ( 0.000 0.000 3.980) 3.980 10.576 ( 0.000 0.000 -1.665) 1.665 10.576 ( 0.000 0.000 -1.665) 1.665 10.755 ( 0.000 0.000 -1.239) 1.239 10.755 ( 0.000 0.000 -1.239) 1.239 10.890 ( -0.000 -0.000 8.686) 8.686 10.890 ( 0.000 0.000 8.686) 8.686 10.931 ( -0.000 -0.000 -3.374) 3.374 10.931 ( 0.000 0.000 -3.374) 3.374 11.119 ( -0.000 -0.000 5.945) 5.945 11.119 ( 0.000 0.000 5.945) 5.945 11.128 ( -0.000 -0.000 -9.727) 9.727 11.128 ( 0.000 0.000 -9.727) 9.727 11.131 ( 0.000 0.000 2.810) 2.810 11.131 ( 0.000 0.000 2.810) 2.810 11.284 ( 0.000 0.000 -4.726) 4.726 11.284 ( 0.000 0.000 -4.726) 4.726 11.399 ( 0.000 0.000 3.964) 3.964 11.399 ( 0.000 0.000 3.964) 3.964 11.625 ( 0.000 0.000 13.963) 13.963 11.625 ( 0.000 0.000 13.963) 13.963 11.746 ( -0.000 -0.000 -5.085) 5.085 11.746 ( 0.000 0.000 -5.085) 5.085 11.746 ( -0.000 -0.000 -1.429) 1.429 11.746 ( 0.000 0.000 -1.429) 1.429 11.762 ( -0.000 -0.000 0.984) 0.984 11.762 ( -0.000 -0.000 0.984) 0.984 11.853 ( 0.000 0.000 10.997) 10.997 11.853 ( 0.000 0.000 10.997) 10.997 12.008 ( 0.000 0.000 16.979) 16.979 12.008 ( 0.000 0.000 16.979) 16.979 12.176 ( -0.000 -0.000 0.043) 0.043 12.176 ( 0.000 0.000 0.043) 0.043 12.199 ( -0.000 -0.000 -0.867) 0.867 12.199 ( -0.000 -0.000 -0.867) 0.867 12.244 ( 0.000 0.000 4.510) 4.510 12.244 ( 0.000 0.000 4.510) 4.510 12.287 ( -0.000 -0.000 7.641) 7.641 12.287 ( 0.000 0.000 7.641) 7.641 12.521 ( 0.000 0.000 12.362) 12.362 12.521 ( 0.000 0.000 12.362) 12.362 12.583 ( -0.000 -0.000 -4.396) 4.396 12.583 ( 0.000 0.000 -4.396) 4.396 12.608 ( -0.000 -0.000 11.209) 11.209 12.608 ( 0.000 0.000 11.209) 11.209 12.710 ( 0.000 0.000 5.814) 5.814 12.710 ( 0.000 0.000 5.814) 5.814 12.788 ( -0.000 -0.000 3.018) 3.018 12.788 ( 0.000 0.000 3.018) 3.018 12.860 ( 0.000 0.000 5.629) 5.629 12.860 ( 0.000 0.000 5.629) 5.629 12.988 ( -0.000 -0.000 10.394) 10.394 12.988 ( 0.000 0.000 10.394) 10.394 13.068 ( 0.000 0.000 2.021) 2.021 13.068 ( 0.000 0.000 2.021) 2.021 13.219 ( 0.000 0.000 -3.295) 3.295 13.219 ( 0.000 0.000 -3.295) 3.295 13.281 ( 0.000 0.000 -1.916) 1.916 13.281 ( 0.000 0.000 -1.916) 1.916 13.445 ( -0.000 -0.000 10.790) 10.790 13.445 ( 0.000 0.000 10.790) 10.790 13.497 ( 0.000 0.000 -4.426) 4.426 13.497 ( 0.000 0.000 -4.426) 4.426 13.724 ( 0.000 0.000 5.499) 5.499 13.724 ( 0.000 0.000 5.499) 5.499 13.803 ( -0.000 -0.000 9.078) 9.078 13.803 ( 0.000 0.000 9.078) 9.078 13.998 ( 0.000 0.000 -1.426) 1.426 13.998 ( 0.000 0.000 -1.426) 1.426 14.067 ( 0.000 0.000 1.270) 1.270 14.067 ( 0.000 0.000 1.270) 1.270 14.088 ( -0.000 -0.000 -4.337) 4.337 14.088 ( 0.000 0.000 -4.337) 4.337 14.253 ( 0.000 0.000 -1.015) 1.015 14.253 ( 0.000 0.000 -1.015) 1.015 14.365 ( 0.000 0.000 3.695) 3.695 14.365 ( 0.000 0.000 3.695) 3.695 14.432 ( 0.000 0.000 -2.024) 2.024 14.432 ( 0.000 0.000 -2.024) 2.024 14.588 ( 0.000 0.000 0.674) 0.674 14.588 ( 0.000 0.000 0.674) 0.674 14.727 ( -0.000 -0.000 0.419) 0.419 14.727 ( 0.000 0.000 0.419) 0.419 14.749 ( -0.000 -0.000 6.541) 6.541 14.749 ( -0.000 -0.000 6.541) 6.541 15.335 ( -0.000 -0.000 -3.541) 3.541 15.335 ( 0.000 0.000 -3.541) 3.541 15.436 ( -0.000 -0.000 4.152) 4.152 15.436 ( 0.000 0.000 4.152) 4.152 15.461 ( -0.000 -0.000 0.632) 0.632 15.461 ( 0.000 0.000 0.632) 0.632 15.727 ( 0.000 0.000 3.271) 3.271 15.727 ( 0.000 0.000 3.271) 3.271 15.812 ( -0.000 -0.000 -0.586) 0.586 15.812 ( 0.000 0.000 -0.586) 0.586 15.933 ( -0.000 -0.000 1.736) 1.736 15.933 ( -0.000 -0.000 1.736) 1.736 15.960 ( 0.000 0.000 -1.974) 1.974 15.960 ( 0.000 0.000 -1.974) 1.974 16.144 ( 0.000 0.000 8.720) 8.720 16.144 ( 0.000 0.000 8.720) 8.720 16.282 ( 0.000 0.000 -6.236) 6.236 16.282 ( 0.000 0.000 -6.236) 6.236 16.348 ( -0.000 -0.000 -9.690) 9.690 16.348 ( 0.000 0.000 -9.690) 9.690 16.549 ( 0.000 0.000 -3.718) 3.718 16.549 ( 0.000 0.000 -3.718) 3.718 17.394 ( 0.000 0.000 -16.161) 16.161 17.394 ( 0.000 0.000 -16.161) 16.161 17.420 ( -0.000 -0.000 -21.910) 21.910 17.420 ( 0.000 0.000 -21.910) 21.910 17.531 ( 0.000 0.000 -8.345) 8.345 17.531 ( 0.000 0.000 -8.345) 8.345 17.609 ( 0.000 0.000 -11.924) 11.924 17.609 ( 0.000 0.000 -11.924) 11.924 17.704 ( 0.000 0.000 -24.305) 24.305 17.704 ( 0.000 0.000 -24.305) 24.305 17.942 ( 0.000 0.000 -13.226) 13.226 17.942 ( 0.000 0.000 -13.226) 13.226 18.052 ( -0.000 -0.000 -7.694) 7.694 18.052 ( 0.000 0.000 -7.694) 7.694 18.223 ( 0.000 0.000 -5.974) 5.974 18.223 ( 0.000 0.000 -5.974) 5.974 18.562 ( 0.000 0.000 -19.297) 19.297 18.562 ( 0.000 0.000 -19.297) 19.297 18.743 ( -0.000 -0.000 -8.356) 8.356 18.743 ( 0.000 0.000 -8.356) 8.356 18.777 ( -0.000 -0.000 -9.953) 9.953 18.777 ( 0.000 0.000 -9.953) 9.953 18.833 ( 0.000 0.000 -7.924) 7.924 18.833 ( 0.000 0.000 -7.924) 7.924 19.012 ( -0.000 -0.000 -5.493) 5.493 19.012 ( 0.000 0.000 -5.493) 5.493 19.380 ( 0.000 0.000 -14.788) 14.788 19.380 ( 0.000 0.000 -14.788) 14.788 19.420 ( -0.000 -0.000 -7.361) 7.361 19.420 ( 0.000 0.000 -7.361) 7.361 19.435 ( -0.000 -0.000 -18.812) 18.812 19.435 ( 0.000 0.000 -18.812) 18.812 19.569 ( -0.000 -0.000 -9.523) 9.523 19.569 ( 0.000 0.000 -9.523) 9.523 19.980 ( 0.000 0.000 -16.138) 16.138 19.980 ( 0.000 0.000 -16.138) 16.138 ======================= Grid point 100 (25/36) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -0.000 -0.000 12.661) 12.661 1.196 ( 0.000 -0.000 12.661) 12.661 1.426 ( 0.000 0.000 2.453) 2.453 1.651 ( -0.000 -0.000 -6.987) 6.987 1.704 ( -0.000 -0.000 -1.320) 1.320 1.752 ( -0.000 -0.000 -2.467) 2.467 1.779 ( 0.000 -0.000 -1.454) 1.454 1.779 ( 0.000 0.000 -1.454) 1.454 1.916 ( 0.000 -0.000 -4.238) 4.238 1.916 ( 0.000 0.000 -4.238) 4.238 2.183 ( 0.000 0.000 1.850) 1.850 2.352 ( 0.000 0.000 -1.807) 1.807 2.400 ( 0.000 0.000 -0.298) 0.298 2.400 ( 0.000 0.000 -0.298) 0.298 2.403 ( 0.000 0.000 4.834) 4.834 2.675 ( 0.000 0.000 7.515) 7.515 2.675 ( 0.000 0.000 7.515) 7.515 2.697 ( 0.000 0.000 -4.684) 4.684 2.838 ( 0.000 0.000 4.823) 4.823 2.838 ( -0.000 -0.000 4.823) 4.823 2.968 ( 0.000 0.000 6.262) 6.262 3.042 ( 0.000 0.000 4.174) 4.174 3.175 ( 0.000 0.000 6.238) 6.238 3.280 ( -0.000 -0.000 1.856) 1.856 4.816 ( 0.000 0.000 8.715) 8.715 4.915 ( 0.000 0.000 15.859) 15.859 4.915 ( 0.000 0.000 15.859) 15.859 5.015 ( 0.000 0.000 -1.031) 1.031 5.319 ( 0.000 0.000 2.101) 2.101 5.319 ( 0.000 0.000 2.101) 2.101 5.950 ( -0.000 -0.000 2.448) 2.448 6.013 ( 0.000 0.000 11.231) 11.231 6.013 ( -0.000 0.000 11.231) 11.231 6.187 ( -0.000 -0.000 -4.589) 4.589 6.358 ( 0.000 0.000 -3.369) 3.369 6.358 ( 0.000 0.000 -3.369) 3.369 6.427 ( 0.000 0.000 5.043) 5.043 6.427 ( -0.000 0.000 5.043) 5.043 6.491 ( 0.000 0.000 -7.637) 7.637 6.491 ( 0.000 0.000 -7.637) 7.637 6.649 ( -0.000 -0.000 25.479) 25.479 6.695 ( 0.000 0.000 5.344) 5.344 6.824 ( 0.000 0.000 13.030) 13.030 6.853 ( -0.000 -0.000 7.893) 7.893 6.899 ( 0.000 0.000 -3.811) 3.811 7.101 ( 0.000 0.000 -11.862) 11.862 7.101 ( 0.000 0.000 -11.862) 11.862 7.180 ( 0.000 0.000 10.231) 10.231 7.303 ( 0.000 0.000 -12.524) 12.524 7.303 ( -0.000 0.000 -12.524) 12.524 7.711 ( -0.000 0.000 -9.567) 9.567 7.772 ( 0.000 0.000 -12.012) 12.012 7.870 ( -0.000 0.000 18.267) 18.267 8.048 ( 0.000 0.000 23.977) 23.977 8.048 ( -0.000 0.000 23.977) 23.977 8.067 ( 0.000 0.000 1.281) 1.281 8.114 ( 0.000 0.000 14.336) 14.336 8.197 ( 0.000 0.000 1.605) 1.605 8.197 ( -0.000 -0.000 1.605) 1.605 8.246 ( -0.000 -0.000 20.974) 20.974 8.379 ( 0.000 0.000 7.887) 7.887 8.509 ( 0.000 0.000 15.646) 15.646 8.509 ( -0.000 0.000 15.646) 15.646 8.571 ( 0.000 0.000 -1.361) 1.361 8.571 ( 0.000 0.000 -1.361) 1.361 8.577 ( 0.000 0.000 -7.701) 7.701 8.592 ( 0.000 0.000 0.328) 0.328 8.612 ( 0.000 0.000 20.951) 20.951 8.813 ( 0.000 0.000 4.926) 4.926 8.813 ( 0.000 0.000 4.926) 4.926 8.841 ( -0.000 0.000 40.393) 40.393 8.902 ( 0.000 0.000 -1.258) 1.258 8.915 ( 0.000 -0.000 5.369) 5.369 9.083 ( 0.000 0.000 2.411) 2.411 9.095 ( 0.000 0.000 -4.799) 4.799 9.289 ( 0.000 0.000 8.763) 8.763 9.297 ( -0.000 0.000 5.139) 5.139 9.297 ( 0.000 0.000 5.139) 5.139 9.414 ( 0.000 0.000 1.562) 1.562 9.414 ( 0.000 0.000 1.562) 1.562 9.548 ( 0.000 0.000 16.831) 16.831 9.571 ( 0.000 0.000 20.414) 20.414 9.597 ( 0.000 0.000 0.664) 0.664 9.597 ( 0.000 0.000 0.664) 0.664 9.861 ( -0.000 0.000 1.286) 1.286 9.873 ( 0.000 0.000 0.581) 0.581 9.899 ( 0.000 0.000 0.091) 0.091 9.899 ( 0.000 0.000 0.091) 0.091 10.090 ( 0.000 0.000 -1.207) 1.207 10.196 ( 0.000 -0.000 -0.631) 0.631 10.196 ( 0.000 0.000 -0.631) 0.631 10.261 ( 0.000 0.000 -10.300) 10.300 10.303 ( 0.000 0.000 8.578) 8.578 10.320 ( 0.000 0.000 -5.417) 5.417 10.335 ( 0.000 0.000 0.816) 0.816 10.335 ( 0.000 0.000 0.816) 0.816 10.351 ( 0.000 -0.000 9.842) 9.842 10.585 ( -0.000 0.000 -1.116) 1.116 10.585 ( 0.000 0.000 -1.116) 1.116 10.702 ( 0.000 0.000 -0.610) 0.610 10.702 ( 0.000 -0.000 -0.610) 0.610 10.736 ( 0.000 0.000 -21.204) 21.204 10.807 ( -0.000 0.000 5.314) 5.314 10.936 ( 0.000 -0.000 2.192) 2.192 11.033 ( 0.000 0.000 2.690) 2.690 11.068 ( 0.000 0.000 9.975) 9.975 11.137 ( 0.000 0.000 -3.604) 3.604 11.137 ( 0.000 0.000 -3.604) 3.604 11.164 ( -0.000 0.000 3.219) 3.219 11.164 ( -0.000 -0.000 3.219) 3.219 11.182 ( 0.000 0.000 -1.663) 1.663 11.192 ( 0.000 0.000 -16.940) 16.940 11.232 ( -0.000 -0.000 -2.833) 2.833 11.291 ( 0.000 0.000 8.942) 8.942 11.427 ( 0.000 0.000 -3.270) 3.270 11.478 ( 0.000 0.000 3.737) 3.737 11.478 ( 0.000 0.000 3.737) 3.737 11.528 ( -0.000 -0.000 -3.230) 3.230 11.528 ( 0.000 0.000 -3.230) 3.230 11.576 ( 0.000 0.000 18.204) 18.204 11.789 ( -0.000 0.000 -10.845) 10.845 11.813 ( 0.000 0.000 -13.488) 13.488 11.910 ( -0.000 0.000 -19.467) 19.467 11.992 ( -0.000 0.000 7.399) 7.399 11.992 ( -0.000 0.000 7.399) 7.399 12.137 ( 0.000 0.000 5.051) 5.051 12.137 ( 0.000 0.000 5.051) 5.051 12.171 ( 0.000 0.000 0.320) 0.320 12.206 ( 0.000 0.000 12.659) 12.659 12.213 ( 0.000 0.000 5.000) 5.000 12.213 ( 0.000 -0.000 5.000) 5.000 12.237 ( -0.000 -0.000 -3.434) 3.434 12.358 ( 0.000 0.000 8.951) 8.951 12.365 ( 0.000 -0.000 3.312) 3.312 12.376 ( -0.000 -0.000 18.478) 18.478 12.489 ( 0.000 0.000 -4.954) 4.954 12.489 ( 0.000 0.000 -4.954) 4.954 12.540 ( 0.000 -0.000 -10.607) 10.607 12.621 ( 0.000 0.000 -3.557) 3.557 12.637 ( 0.000 0.000 1.038) 1.038 12.637 ( -0.000 -0.000 1.038) 1.038 12.737 ( -0.000 0.000 28.258) 28.258 12.744 ( 0.000 0.000 4.892) 4.892 12.744 ( -0.000 -0.000 4.892) 4.892 12.921 ( -0.000 -0.000 18.077) 18.077 13.031 ( 0.000 0.000 22.235) 22.235 13.083 ( 0.000 0.000 -0.604) 0.604 13.083 ( -0.000 -0.000 -0.604) 0.604 13.140 ( 0.000 0.000 11.275) 11.275 13.140 ( 0.000 -0.000 11.275) 11.275 13.199 ( 0.000 0.000 8.036) 8.036 13.199 ( 0.000 0.000 8.036) 8.036 13.257 ( 0.000 0.000 -3.602) 3.602 13.267 ( -0.000 0.000 9.966) 9.966 13.321 ( -0.000 0.000 2.026) 2.026 13.321 ( 0.000 0.000 2.026) 2.026 13.360 ( -0.000 -0.000 15.879) 15.879 13.546 ( -0.000 0.000 -2.184) 2.184 13.546 ( 0.000 0.000 -2.184) 2.184 13.680 ( 0.000 0.000 -7.166) 7.166 13.755 ( 0.000 -0.000 18.478) 18.478 13.786 ( -0.000 -0.000 -6.190) 6.190 13.812 ( -0.000 0.000 8.422) 8.422 13.868 ( 0.000 0.000 -1.227) 1.227 13.900 ( 0.000 0.000 -5.892) 5.892 13.900 ( 0.000 0.000 -5.892) 5.892 14.021 ( 0.000 0.000 1.512) 1.512 14.021 ( 0.000 -0.000 1.512) 1.512 14.060 ( 0.000 -0.000 -4.102) 4.102 14.110 ( 0.000 0.000 7.625) 7.625 14.210 ( -0.000 0.000 -4.904) 4.904 14.222 ( 0.000 0.000 1.295) 1.295 14.222 ( 0.000 0.000 1.295) 1.295 14.392 ( 0.000 0.000 -9.232) 9.232 14.498 ( 0.000 0.000 -5.481) 5.481 14.498 ( -0.000 -0.000 -5.481) 5.481 14.664 ( 0.000 0.000 8.238) 8.238 14.721 ( 0.000 0.000 4.502) 4.502 14.721 ( 0.000 0.000 4.502) 4.502 14.843 ( 0.000 0.000 10.760) 10.760 14.991 ( 0.000 0.000 -4.226) 4.226 14.991 ( 0.000 0.000 -4.226) 4.226 15.000 ( -0.000 0.000 -6.358) 6.358 15.080 ( 0.000 -0.000 3.587) 3.587 15.227 ( 0.000 0.000 12.854) 12.854 15.510 ( 0.000 0.000 -3.298) 3.298 15.546 ( 0.000 0.000 -2.579) 2.579 15.546 ( -0.000 0.000 -2.579) 2.579 15.594 ( 0.000 0.000 0.143) 0.143 15.604 ( 0.000 0.000 -11.171) 11.171 15.730 ( -0.000 -0.000 0.153) 0.153 15.730 ( 0.000 0.000 0.153) 0.153 15.876 ( 0.000 0.000 -12.101) 12.101 15.911 ( -0.000 -0.000 3.253) 3.253 15.911 ( 0.000 0.000 3.253) 3.253 16.077 ( -0.000 0.000 -9.588) 9.588 16.139 ( 0.000 0.000 -0.426) 0.426 16.244 ( 0.000 0.000 7.593) 7.593 16.244 ( 0.000 0.000 7.593) 7.593 16.360 ( 0.000 0.000 -9.923) 9.923 16.370 ( -0.000 -0.000 0.461) 0.461 16.370 ( 0.000 0.000 0.461) 0.461 16.455 ( 0.000 0.000 10.419) 10.419 16.583 ( -0.000 -0.000 -0.048) 0.048 17.019 ( 0.000 0.000 -12.351) 12.351 17.065 ( 0.000 0.000 -8.527) 8.527 17.065 ( 0.000 0.000 -8.527) 8.527 17.225 ( 0.000 0.000 -14.582) 14.582 17.226 ( 0.000 0.000 -16.795) 16.795 17.259 ( 0.000 -0.000 -16.319) 16.319 17.261 ( -0.000 0.000 -12.064) 12.064 17.452 ( 0.000 0.000 -24.465) 24.465 17.481 ( 0.000 0.000 -14.912) 14.912 17.481 ( -0.000 -0.000 -14.912) 14.912 17.603 ( -0.000 -0.000 -2.967) 2.967 17.684 ( 0.000 0.000 -9.028) 9.028 17.684 ( 0.000 0.000 -9.028) 9.028 18.040 ( 0.000 0.000 -4.617) 4.617 18.040 ( 0.000 0.000 -4.617) 4.617 18.063 ( 0.000 0.000 -24.123) 24.123 18.323 ( -0.000 0.000 -15.681) 15.681 18.331 ( 0.000 0.000 -1.657) 1.657 18.332 ( 0.000 -0.000 -15.229) 15.229 18.559 ( 0.000 0.000 -9.459) 9.459 18.617 ( -0.000 0.000 -3.490) 3.490 18.649 ( 0.000 0.000 -6.366) 6.366 18.649 ( 0.000 0.000 -6.366) 6.366 18.849 ( -0.000 0.000 -7.180) 7.180 18.879 ( -0.000 -0.000 -4.758) 4.758 18.879 ( 0.000 0.000 -4.758) 4.758 19.021 ( 0.000 0.000 -4.464) 4.464 19.127 ( 0.000 0.000 -2.137) 2.137 19.187 ( -0.000 -0.000 -10.668) 10.668 19.187 ( 0.000 0.000 -10.668) 10.668 19.316 ( 0.000 0.000 -12.132) 12.132 19.425 ( 0.000 0.000 -8.118) 8.118 19.425 ( 0.000 0.000 -8.118) 8.118 19.618 ( 0.000 -0.000 -8.385) 8.385 19.618 ( 0.000 0.000 -8.385) 8.385 19.666 ( -0.000 0.000 -21.766) 21.766 ======================= Grid point 101 (26/36) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 2.574 0.000 10.055) 10.380 1.341 ( 12.161 0.000 9.278) 15.297 1.461 ( -4.292 0.000 1.845) 4.671 1.626 ( 5.103 0.000 -0.796) 5.165 1.643 ( -4.326 0.000 0.200) 4.330 1.753 ( 0.712 0.000 -2.616) 2.711 1.822 ( -0.167 0.000 -6.542) 6.545 1.826 ( 0.802 0.000 -3.091) 3.194 1.959 ( 5.778 0.000 -1.645) 6.008 1.965 ( 6.764 0.000 -1.983) 7.048 2.183 ( -0.303 0.000 0.604) 0.676 2.307 ( -6.844 0.000 0.689) 6.879 2.317 ( -2.396 0.000 -1.387) 2.768 2.411 ( -0.872 0.000 -0.677) 1.104 2.460 ( 3.073 0.000 2.380) 3.887 2.618 ( -4.591 0.000 0.696) 4.643 2.720 ( 4.274 0.000 6.782) 8.016 2.725 ( 2.192 0.000 3.212) 3.889 2.810 ( -1.414 0.000 5.146) 5.337 2.821 ( -1.805 0.000 4.769) 5.099 2.975 ( 0.014 0.000 4.580) 4.580 3.022 ( -2.127 0.000 3.645) 4.220 3.166 ( -0.425 0.000 6.680) 6.693 3.242 ( -3.474 0.000 3.213) 4.732 4.786 ( -1.900 0.000 8.792) 8.995 4.842 ( -4.871 0.000 9.809) 10.952 5.057 ( 14.367 0.000 16.228) 21.674 5.105 ( 6.934 0.000 4.179) 8.096 5.318 ( -1.629 0.000 2.154) 2.700 5.449 ( 11.824 0.000 3.288) 12.273 5.930 ( -15.643 0.000 19.283) 24.830 5.967 ( 3.952 0.000 9.073) 9.896 6.080 ( 3.883 0.000 7.041) 8.041 6.111 ( -10.496 0.000 9.887) 14.420 6.203 ( 1.990 0.000 -4.630) 5.040 6.353 ( -2.055 0.000 -5.150) 5.545 6.382 ( -1.652 0.000 2.481) 2.981 6.422 ( -6.120 0.000 -8.131) 10.177 6.501 ( 1.146 0.000 -9.763) 9.830 6.507 ( 13.242 0.000 -1.006) 13.280 6.638 ( -7.284 0.000 2.568) 7.723 6.777 ( -4.171 0.000 2.547) 4.888 6.813 ( -2.429 0.000 9.884) 10.178 6.932 ( 2.076 0.000 -2.971) 3.625 6.994 ( 17.434 0.000 11.485) 20.877 7.077 ( -2.079 0.000 -3.964) 4.477 7.093 ( -1.798 0.000 -7.823) 8.027 7.192 ( 0.364 0.000 -2.062) 2.094 7.197 ( -2.303 0.000 -4.604) 5.148 7.347 ( 4.262 0.000 -9.895) 10.774 7.582 ( -9.237 0.000 -8.658) 12.660 7.809 ( -4.269 0.000 13.753) 14.400 7.830 ( -17.209 0.000 12.234) 21.114 7.861 ( -1.350 0.000 2.326) 2.689 7.950 ( 2.113 0.000 -1.054) 2.361 8.037 ( -1.739 0.000 24.358) 24.420 8.094 ( -8.421 0.000 14.149) 16.466 8.197 ( -1.416 0.000 4.669) 4.879 8.262 ( 7.108 0.000 15.020) 16.617 8.316 ( -1.223 0.000 15.448) 15.496 8.373 ( 6.322 0.000 3.891) 7.423 8.433 ( -6.491 0.000 11.958) 13.606 8.493 ( -3.400 0.000 13.860) 14.270 8.562 ( -1.399 0.000 2.654) 3.000 8.564 ( -1.793 0.000 0.910) 2.010 8.591 ( -1.380 0.000 5.870) 6.030 8.606 ( 3.147 0.000 -0.383) 3.171 8.691 ( 12.613 0.000 12.930) 18.063 8.758 ( -1.621 0.000 1.028) 1.919 8.901 ( 5.663 0.000 31.112) 31.623 8.918 ( 0.970 0.000 1.203) 1.546 8.958 ( 9.565 0.000 4.373) 10.517 9.027 ( -3.882 0.000 2.275) 4.500 9.075 ( 10.280 0.000 7.802) 12.905 9.077 ( -1.207 0.000 -4.931) 5.077 9.175 ( -5.240 0.000 12.246) 13.320 9.252 ( -8.281 0.000 8.742) 12.042 9.335 ( -0.668 0.000 7.114) 7.145 9.449 ( 4.321 0.000 3.496) 5.558 9.514 ( 8.981 0.000 3.407) 9.606 9.534 ( -1.724 0.000 12.971) 13.085 9.597 ( 2.050 0.000 8.042) 8.299 9.616 ( 1.957 0.000 2.258) 2.988 9.664 ( 6.678 0.000 2.371) 7.086 9.807 ( -4.072 0.000 2.924) 5.013 9.854 ( -2.354 0.000 1.946) 3.055 9.937 ( 3.840 0.000 0.702) 3.903 10.012 ( 8.273 0.000 -0.434) 8.285 10.105 ( 0.686 0.000 -0.252) 0.731 10.147 ( -3.377 0.000 0.927) 3.502 10.205 ( 0.373 0.000 0.970) 1.039 10.252 ( -3.684 0.000 1.393) 3.939 10.267 ( 0.657 0.000 -8.756) 8.781 10.286 ( -2.010 0.000 -0.138) 2.015 10.305 ( -2.122 0.000 0.967) 2.332 10.353 ( -0.464 0.000 7.292) 7.307 10.420 ( 4.347 0.000 -1.454) 4.584 10.560 ( 0.386 0.000 0.062) 0.391 10.615 ( 3.397 0.000 0.104) 3.399 10.618 ( -7.628 0.000 -1.789) 7.835 10.701 ( 0.216 0.000 -0.565) 0.605 10.777 ( 1.696 0.000 -13.888) 13.991 10.809 ( 0.448 0.000 -1.167) 1.251 10.909 ( -3.663 0.000 1.588) 3.992 10.964 ( -7.705 0.000 -0.133) 7.706 11.034 ( -7.103 0.000 -7.318) 10.199 11.055 ( -1.709 0.000 2.353) 2.908 11.086 ( 0.205 0.000 6.812) 6.815 11.106 ( -0.546 0.000 4.110) 4.146 11.152 ( -0.389 0.000 -4.865) 4.880 11.197 ( -0.261 0.000 -2.783) 2.796 11.244 ( 0.763 0.000 -1.073) 1.317 11.298 ( 3.921 0.000 -1.008) 4.048 11.364 ( 5.694 0.000 2.094) 6.067 11.384 ( -3.838 0.000 2.450) 4.554 11.495 ( 0.511 0.000 0.601) 0.789 11.509 ( 3.062 0.000 -0.049) 3.062 11.554 ( 3.791 0.000 -2.507) 4.545 11.605 ( 6.947 0.000 -1.219) 7.053 11.626 ( 3.499 0.000 9.029) 9.683 11.743 ( -3.399 0.000 -9.143) 9.755 11.797 ( -2.273 0.000 -8.317) 8.622 11.819 ( -5.836 0.000 -7.051) 9.153 11.971 ( -6.594 0.000 10.234) 12.174 11.984 ( -0.202 0.000 3.375) 3.381 12.102 ( -4.878 0.000 5.410) 7.285 12.111 ( 3.631 0.000 1.858) 4.079 12.128 ( -0.919 0.000 1.626) 1.868 12.193 ( -3.317 0.000 -1.726) 3.739 12.247 ( 2.133 0.000 0.056) 2.134 12.274 ( 1.840 0.000 7.612) 7.831 12.284 ( 4.067 0.000 9.539) 10.370 12.338 ( 1.906 0.000 1.395) 2.362 12.356 ( -1.775 0.000 0.024) 1.775 12.386 ( -0.356 0.000 13.918) 13.922 12.491 ( -0.344 0.000 0.861) 0.927 12.520 ( 4.677 0.000 -2.528) 5.317 12.577 ( -0.911 0.000 -0.500) 1.039 12.617 ( 1.280 0.000 -2.953) 3.218 12.647 ( 1.643 0.000 -2.917) 3.348 12.657 ( 4.074 0.000 11.553) 12.250 12.770 ( 2.508 0.000 6.033) 6.534 12.802 ( 5.414 0.000 4.343) 6.941 12.849 ( 8.906 0.000 15.011) 17.454 12.906 ( -2.193 0.000 17.378) 17.515 12.945 ( -6.990 0.000 19.605) 20.814 13.054 ( -2.740 0.000 3.746) 4.641 13.056 ( -3.875 0.000 1.637) 4.206 13.112 ( -3.174 0.000 8.334) 8.918 13.149 ( 1.730 0.000 8.386) 8.562 13.161 ( -0.557 0.000 1.514) 1.613 13.199 ( 0.012 0.000 8.176) 8.176 13.257 ( -5.906 0.000 -0.461) 5.924 13.261 ( -0.348 0.000 8.189) 8.197 13.275 ( -3.099 0.000 3.762) 4.874 13.303 ( -1.959 0.000 3.575) 4.077 13.388 ( 2.599 0.000 11.466) 11.757 13.461 ( -3.156 0.000 4.201) 5.254 13.584 ( 4.300 0.000 -2.099) 4.785 13.686 ( 0.687 0.000 -3.769) 3.831 13.761 ( -0.754 0.000 10.526) 10.553 13.800 ( -2.606 0.000 -5.027) 5.662 13.827 ( 1.526 0.000 -4.762) 5.000 13.904 ( 5.478 0.000 2.751) 6.130 13.935 ( 1.730 0.000 1.196) 2.103 13.940 ( -1.363 0.000 -4.483) 4.685 14.031 ( 3.846 0.000 -0.338) 3.861 14.071 ( 3.556 0.000 4.555) 5.779 14.080 ( 1.519 0.000 -2.011) 2.521 14.091 ( 3.584 0.000 2.474) 4.355 14.193 ( -2.464 0.000 2.395) 3.436 14.204 ( 0.158 0.000 -4.779) 4.782 14.236 ( -0.658 0.000 2.999) 3.070 14.348 ( -9.342 0.000 -1.086) 9.405 14.374 ( -1.658 0.000 -7.028) 7.221 14.476 ( -1.690 0.000 -2.122) 2.713 14.693 ( -3.809 0.000 4.688) 6.041 14.722 ( 1.062 0.000 4.415) 4.541 14.778 ( 3.865 0.000 3.629) 5.302 14.787 ( -4.699 0.000 2.253) 5.211 14.947 ( -1.082 0.000 1.167) 1.591 15.001 ( 5.127 0.000 1.524) 5.349 15.073 ( -2.225 0.000 -3.251) 3.940 15.116 ( 6.414 0.000 -2.673) 6.949 15.285 ( 6.363 0.000 6.629) 9.188 15.488 ( -0.760 0.000 2.994) 3.089 15.507 ( -2.512 0.000 -1.626) 2.992 15.553 ( -6.215 0.000 -3.932) 7.354 15.563 ( 0.213 0.000 0.432) 0.482 15.675 ( 7.003 0.000 -2.666) 7.493 15.691 ( -0.981 0.000 -8.863) 8.917 15.787 ( 3.273 0.000 -4.282) 5.390 15.862 ( -0.770 0.000 -5.988) 6.038 15.949 ( 0.571 0.000 -3.795) 3.838 15.991 ( 7.175 0.000 4.257) 8.342 16.082 ( -2.252 0.000 -1.358) 2.630 16.104 ( 0.452 0.000 -5.779) 5.796 16.197 ( -4.528 0.000 7.942) 9.142 16.212 ( -3.422 0.000 1.129) 3.604 16.278 ( -5.298 0.000 -0.319) 5.308 16.318 ( -2.782 0.000 2.660) 3.850 16.418 ( 4.409 0.000 -5.379) 6.955 16.446 ( -2.631 0.000 7.201) 7.667 16.572 ( -1.731 0.000 -0.161) 1.739 17.037 ( 0.691 0.000 -12.077) 12.096 17.072 ( 2.086 0.000 -10.858) 11.056 17.114 ( 5.058 0.000 -11.657) 12.707 17.161 ( -6.271 0.000 -16.734) 17.870 17.203 ( -3.036 0.000 -14.408) 14.724 17.269 ( 1.856 0.000 -14.658) 14.775 17.294 ( 3.022 0.000 -15.127) 15.426 17.411 ( -3.704 0.000 -20.451) 20.783 17.463 ( -0.411 0.000 -12.993) 12.999 17.560 ( 5.579 0.000 -12.473) 13.664 17.576 ( -1.365 0.000 -7.188) 7.317 17.680 ( -0.666 0.000 -9.444) 9.467 17.730 ( 3.441 0.000 -7.342) 8.108 17.953 ( -7.199 0.000 -7.399) 10.323 18.061 ( 2.490 0.000 -4.038) 4.744 18.115 ( 4.668 0.000 -21.459) 21.961 18.270 ( -6.157 0.000 -2.102) 6.506 18.294 ( -2.972 0.000 -16.003) 16.277 18.409 ( 7.118 0.000 -12.507) 14.391 18.555 ( 1.619 0.000 -8.543) 8.695 18.629 ( 0.794 0.000 -4.907) 4.971 18.653 ( -0.901 0.000 -5.633) 5.704 18.665 ( 0.798 0.000 -5.326) 5.385 18.796 ( -5.562 0.000 -8.886) 10.483 18.925 ( 4.491 0.000 -6.188) 7.646 18.949 ( 6.203 0.000 -6.163) 8.744 19.005 ( -0.600 0.000 -3.550) 3.600 19.088 ( -2.979 0.000 -2.120) 3.656 19.157 ( -3.143 0.000 -9.899) 10.386 19.167 ( -3.456 0.000 -11.498) 12.006 19.295 ( 1.183 0.000 -8.503) 8.584 19.450 ( 2.672 0.000 -8.401) 8.816 19.503 ( -8.288 0.000 -11.990) 14.576 19.517 ( 6.227 0.000 -10.281) 12.020 19.590 ( -2.883 0.000 -8.489) 8.965 19.680 ( -1.007 0.000 -15.432) 15.465 ======================= Grid point 102 (27/36) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -8.467 0.000 5.697) 10.205 1.311 ( 8.467 0.000 5.697) 10.205 1.538 ( -7.507 0.000 3.461) 8.267 1.538 ( 7.507 0.000 3.461) 8.267 1.759 ( -5.927 0.000 -3.281) 6.775 1.759 ( 5.927 0.000 -3.281) 6.775 1.793 ( -3.021 0.000 -2.106) 3.683 1.793 ( 3.021 0.000 -2.106) 3.683 2.108 ( -7.759 0.000 -1.208) 7.852 2.108 ( 7.759 0.000 -1.208) 7.852 2.141 ( -10.150 0.000 -1.301) 10.233 2.141 ( 10.150 0.000 -1.301) 10.233 2.341 ( -4.766 0.000 -0.554) 4.798 2.341 ( 4.766 0.000 -0.554) 4.798 2.529 ( -4.291 0.000 1.196) 4.455 2.529 ( 4.291 0.000 1.196) 4.455 2.775 ( -2.831 0.000 4.662) 5.454 2.775 ( 2.831 0.000 4.662) 5.454 2.793 ( -1.990 0.000 5.494) 5.843 2.793 ( 1.990 0.000 5.494) 5.843 2.978 ( -1.362 0.000 2.972) 3.269 2.978 ( 1.362 0.000 2.972) 3.269 3.180 ( -2.242 0.000 6.019) 6.423 3.180 ( 2.242 0.000 6.019) 6.423 4.778 ( -1.484 0.000 8.672) 8.798 4.778 ( 1.484 0.000 8.672) 8.798 5.237 ( -6.335 0.000 3.644) 7.308 5.237 ( 6.335 0.000 3.644) 7.308 5.410 ( -19.995 0.000 15.202) 25.118 5.410 ( 19.995 0.000 15.202) 25.118 5.860 ( -14.978 0.000 11.314) 18.771 5.860 ( 14.978 0.000 11.314) 18.771 6.073 ( -4.964 0.000 10.283) 11.419 6.073 ( 4.964 0.000 10.283) 11.419 6.278 ( -6.694 0.000 -4.368) 7.993 6.278 ( 6.694 0.000 -4.368) 7.993 6.443 ( -8.007 0.000 -7.383) 10.891 6.443 ( 8.007 0.000 -7.383) 10.891 6.464 ( -8.658 0.000 -1.521) 8.790 6.464 ( 8.658 0.000 -1.521) 8.790 6.738 ( -2.834 0.000 0.025) 2.834 6.738 ( 2.834 0.000 0.025) 2.834 6.794 ( -14.398 0.000 -3.262) 14.763 6.794 ( 14.398 0.000 -3.262) 14.763 7.084 ( -2.552 0.000 -3.821) 4.594 7.084 ( 2.552 0.000 -3.821) 4.594 7.141 ( -5.834 0.000 -2.612) 6.392 7.141 ( 5.834 0.000 -2.612) 6.392 7.443 ( -5.833 0.000 -10.190) 11.742 7.443 ( 5.833 0.000 -10.190) 11.742 7.455 ( -20.717 0.000 13.237) 24.585 7.455 ( 20.717 0.000 13.237) 24.585 7.788 ( -2.559 0.000 10.862) 11.159 7.788 ( 2.559 0.000 10.862) 11.160 8.002 ( -0.344 0.000 20.065) 20.068 8.002 ( 0.344 0.000 20.065) 20.068 8.086 ( -7.703 0.000 -2.779) 8.189 8.086 ( 7.703 0.000 -2.779) 8.189 8.317 ( -2.701 0.000 15.549) 15.781 8.317 ( 2.701 0.000 15.549) 15.781 8.408 ( -6.405 0.000 19.662) 20.679 8.408 ( 6.405 0.000 19.662) 20.679 8.508 ( -4.825 0.000 1.316) 5.001 8.508 ( 4.825 0.000 1.316) 5.001 8.558 ( -1.125 0.000 4.973) 5.099 8.558 ( 1.125 0.000 4.973) 5.099 8.691 ( -5.123 0.000 -0.703) 5.171 8.691 ( 5.123 0.000 -0.703) 5.171 8.914 ( -8.005 0.000 7.315) 10.844 8.914 ( 8.005 0.000 7.315) 10.844 8.960 ( -3.255 0.000 2.478) 4.091 8.960 ( 3.255 0.000 2.478) 4.091 9.075 ( -5.307 0.000 16.860) 17.676 9.075 ( 5.307 0.000 16.860) 17.676 9.117 ( -1.563 0.000 5.679) 5.890 9.117 ( 1.563 0.000 5.679) 5.890 9.248 ( -7.435 0.000 9.564) 12.114 9.248 ( 7.435 0.000 9.564) 12.114 9.511 ( -1.624 0.000 6.512) 6.712 9.511 ( 1.624 0.000 6.512) 6.712 9.617 ( -0.841 0.000 3.427) 3.529 9.617 ( 0.841 0.000 3.427) 3.529 9.703 ( -6.349 0.000 2.215) 6.724 9.703 ( 6.349 0.000 2.215) 6.724 9.785 ( -5.076 0.000 2.783) 5.789 9.785 ( 5.076 0.000 2.783) 5.789 10.028 ( -5.296 0.000 0.912) 5.374 10.028 ( 5.296 0.000 0.912) 5.374 10.154 ( -5.839 0.000 0.874) 5.904 10.154 ( 5.839 0.000 0.874) 5.904 10.174 ( -3.442 0.000 3.109) 4.638 10.174 ( 3.442 0.000 3.109) 4.638 10.279 ( -0.163 0.000 -5.586) 5.589 10.279 ( 0.163 0.000 -5.586) 5.589 10.318 ( -2.802 0.000 3.419) 4.420 10.318 ( 2.803 0.000 3.419) 4.420 10.468 ( -5.087 0.000 -1.408) 5.279 10.468 ( 5.087 0.000 -1.408) 5.279 10.681 ( -8.751 0.000 -0.989) 8.807 10.681 ( 8.751 0.000 -0.989) 8.807 10.695 ( -2.897 0.000 -0.121) 2.900 10.695 ( 2.897 0.000 -0.121) 2.900 10.850 ( -1.347 0.000 1.289) 1.864 10.850 ( 1.347 0.000 1.289) 1.864 10.901 ( -6.743 0.000 -12.838) 14.501 10.901 ( 6.743 0.000 -12.838) 14.501 11.058 ( -1.261 0.000 2.976) 3.232 11.058 ( 1.261 0.000 2.976) 3.232 11.176 ( -2.098 0.000 -2.424) 3.206 11.176 ( 2.098 0.000 -2.424) 3.206 11.178 ( -5.426 0.000 5.264) 7.560 11.178 ( 5.426 0.000 5.264) 7.560 11.350 ( -1.372 0.000 -0.090) 1.375 11.350 ( 1.372 0.000 -0.090) 1.375 11.464 ( -4.094 0.000 -2.829) 4.976 11.464 ( 4.094 0.000 -2.829) 4.976 11.570 ( -2.302 0.000 -1.043) 2.527 11.570 ( 2.302 0.000 -1.043) 2.527 11.697 ( -1.988 0.000 -5.480) 5.829 11.697 ( 1.988 0.000 -5.480) 5.829 11.720 ( -5.476 0.000 -1.423) 5.658 11.720 ( 5.476 0.000 -1.423) 5.658 11.819 ( -7.212 0.000 7.779) 10.608 11.819 ( 7.212 0.000 7.779) 10.608 12.011 ( -3.514 0.000 2.904) 4.559 12.011 ( 3.514 0.000 2.904) 4.559 12.136 ( -1.899 0.000 0.030) 1.900 12.136 ( 1.899 0.000 0.030) 1.900 12.212 ( -5.371 0.000 4.454) 6.978 12.212 ( 5.371 0.000 4.454) 6.978 12.304 ( -3.371 0.000 -0.153) 3.375 12.304 ( 3.371 0.000 -0.153) 3.375 12.349 ( -2.751 0.000 11.443) 11.770 12.349 ( 2.751 0.000 11.443) 11.770 12.447 ( -5.182 0.000 0.504) 5.207 12.447 ( 5.182 0.000 0.504) 5.207 12.576 ( -0.646 0.000 -1.659) 1.781 12.576 ( 0.646 0.000 -1.659) 1.781 12.642 ( -2.650 0.000 -0.213) 2.659 12.642 ( 2.650 0.000 -0.213) 2.659 12.764 ( -6.084 0.000 17.546) 18.570 12.764 ( 6.084 0.000 17.546) 18.570 12.859 ( -3.114 0.000 9.274) 9.783 12.859 ( 3.114 0.000 9.274) 9.783 12.938 ( -7.803 0.000 3.537) 8.567 12.938 ( 7.803 0.000 3.537) 8.567 13.022 ( -4.685 0.000 13.231) 14.036 13.022 ( 4.685 0.000 13.231) 14.036 13.073 ( -6.731 0.000 -1.083) 6.817 13.073 ( 6.731 0.000 -1.083) 6.817 13.188 ( -1.558 0.000 6.517) 6.701 13.188 ( 1.558 0.000 6.517) 6.701 13.210 ( -3.451 0.000 2.344) 4.172 13.210 ( 3.451 0.000 2.344) 4.172 13.267 ( -1.233 0.000 6.667) 6.780 13.267 ( 1.233 0.000 6.667) 6.780 13.431 ( -1.699 0.000 7.598) 7.786 13.431 ( 1.699 0.000 7.598) 7.786 13.700 ( -6.908 0.000 -4.221) 8.095 13.700 ( 6.908 0.000 -4.221) 8.095 13.718 ( -2.666 0.000 1.400) 3.011 13.718 ( 2.666 0.000 1.400) 3.011 13.880 ( -3.201 0.000 -3.767) 4.943 13.880 ( 3.201 0.000 -3.767) 4.943 13.948 ( -1.126 0.000 4.999) 5.124 13.948 ( 1.126 0.000 4.999) 5.124 14.098 ( -1.105 0.000 -2.216) 2.476 14.098 ( 1.105 0.000 -2.216) 2.476 14.172 ( -5.749 0.000 4.871) 7.535 14.172 ( 5.749 0.000 4.871) 7.535 14.194 ( -3.371 0.000 -4.492) 5.617 14.194 ( 3.371 0.000 -4.492) 5.617 14.203 ( -5.469 0.000 1.893) 5.787 14.203 ( 5.469 0.000 1.893) 5.787 14.396 ( -5.352 0.000 -1.644) 5.599 14.396 ( 5.352 0.000 -1.644) 5.599 14.688 ( -4.574 0.000 2.582) 5.253 14.688 ( 4.574 0.000 2.582) 5.253 14.761 ( -2.909 0.000 3.955) 4.910 14.761 ( 2.909 0.000 3.955) 4.910 15.002 ( -4.558 0.000 -1.410) 4.771 15.002 ( 4.558 0.000 -1.410) 4.771 15.132 ( -5.699 0.000 1.452) 5.881 15.132 ( 5.699 0.000 1.452) 5.881 15.425 ( -7.040 0.000 0.969) 7.107 15.425 ( 7.040 0.000 0.969) 7.107 15.483 ( -0.226 0.000 1.592) 1.608 15.483 ( 0.226 0.000 1.592) 1.608 15.611 ( -6.059 0.000 -3.700) 7.099 15.611 ( 6.059 0.000 -3.700) 7.099 15.794 ( -3.652 0.000 -5.683) 6.755 15.794 ( 3.652 0.000 -5.683) 6.755 15.894 ( -3.703 0.000 -8.405) 9.184 15.894 ( 3.703 0.000 -8.405) 9.184 16.086 ( -2.128 0.000 -1.504) 2.606 16.086 ( 2.128 0.000 -1.504) 2.606 16.104 ( -4.658 0.000 7.595) 8.909 16.104 ( 4.658 0.000 7.595) 8.909 16.202 ( -2.960 0.000 -2.025) 3.586 16.202 ( 2.960 0.000 -2.025) 3.586 16.349 ( -5.896 0.000 3.774) 7.000 16.349 ( 5.896 0.000 3.774) 7.000 16.511 ( -4.555 0.000 -1.741) 4.876 16.511 ( 4.555 0.000 -1.741) 4.876 17.065 ( -3.122 0.000 -14.317) 14.654 17.065 ( 3.122 0.000 -14.317) 14.654 17.137 ( -3.769 0.000 -13.166) 13.695 17.137 ( 3.769 0.000 -13.166) 13.695 17.235 ( -6.680 0.000 -15.596) 16.966 17.235 ( 6.680 0.000 -15.596) 16.966 17.330 ( -4.321 0.000 -16.538) 17.093 17.330 ( 4.321 0.000 -16.538) 17.093 17.530 ( -4.369 0.000 -9.502) 10.458 17.530 ( 4.369 0.000 -9.502) 10.458 17.646 ( -3.163 0.000 -10.397) 10.867 17.646 ( 3.163 0.000 -10.397) 10.867 17.817 ( -6.195 0.000 -7.578) 9.788 17.817 ( 6.195 0.000 -7.578) 9.788 18.143 ( -6.126 0.000 -3.098) 6.865 18.143 ( 6.126 0.000 -3.098) 6.865 18.215 ( -5.176 0.000 -17.975) 18.705 18.215 ( 5.176 0.000 -17.975) 18.705 18.567 ( -8.092 0.000 -10.467) 13.230 18.567 ( 8.092 0.000 -10.467) 13.230 18.610 ( -3.240 0.000 -6.437) 7.207 18.610 ( 3.240 0.000 -6.437) 7.207 18.696 ( -3.261 0.000 -5.330) 6.248 18.696 ( 3.261 0.000 -5.330) 6.248 19.006 ( -1.904 0.000 -4.555) 4.937 19.006 ( 1.904 0.000 -4.555) 4.937 19.070 ( -5.863 0.000 -8.108) 10.006 19.070 ( 5.863 0.000 -8.108) 10.006 19.075 ( -4.416 0.000 -7.307) 8.538 19.075 ( 4.416 0.000 -7.307) 8.538 19.362 ( -5.640 0.000 -9.236) 10.822 19.362 ( 5.640 0.000 -9.236) 10.822 19.519 ( -4.158 0.000 -8.629) 9.578 19.519 ( 4.158 0.000 -8.629) 9.578 19.624 ( -4.581 0.000 -12.628) 13.433 19.624 ( 4.581 0.000 -12.628) 13.433 ======================= Grid point 106 (28/36) ======================= q-point: ( 0.25 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 2.856 2.856 9.728) 10.534 1.374 ( 1.553 1.553 5.091) 5.544 1.554 ( 3.556 3.556 3.330) 6.031 1.613 ( 6.953 6.953 0.891) 9.874 1.714 ( 1.369 1.369 -3.103) 3.658 1.752 ( 0.395 0.395 -2.516) 2.578 1.793 ( -0.099 -0.099 -1.528) 1.535 1.847 ( -0.140 -0.140 -6.741) 6.744 1.891 ( 0.220 0.220 1.735) 1.762 2.102 ( 8.235 8.235 -3.701) 12.220 2.139 ( -3.812 -3.812 2.310) 5.865 2.284 ( -2.855 -2.855 -0.964) 4.151 2.302 ( -2.393 -2.393 -0.318) 3.399 2.412 ( -0.833 -0.833 -3.106) 3.321 2.453 ( 0.242 0.242 2.997) 3.016 2.603 ( -2.647 -2.647 -1.184) 3.926 2.727 ( 2.314 2.314 7.229) 7.935 2.750 ( 2.046 2.046 4.600) 5.434 2.794 ( -0.802 -0.802 5.539) 5.654 2.809 ( -1.034 -1.034 4.648) 4.873 2.974 ( -0.499 -0.499 3.519) 3.589 3.004 ( -1.835 -1.835 2.969) 3.944 3.150 ( -1.052 -1.052 7.164) 7.317 3.206 ( -3.226 -3.226 4.374) 6.320 4.786 ( -0.609 -0.609 8.701) 8.743 4.813 ( -2.376 -2.376 9.835) 10.393 5.150 ( 10.453 10.453 14.630) 20.798 5.187 ( 7.712 7.712 5.755) 12.332 5.401 ( 3.846 3.846 2.440) 5.962 5.479 ( 5.285 5.285 4.362) 8.654 5.821 ( -7.766 -7.766 16.045) 19.444 5.960 ( -5.688 -5.688 14.196) 16.317 6.117 ( 3.626 3.626 8.073) 9.564 6.169 ( -2.125 -2.125 11.668) 12.049 6.226 ( 3.615 3.615 -6.028) 7.904 6.315 ( -2.406 -2.406 9.875) 10.445 6.356 ( 2.640 2.640 -4.061) 5.516 6.449 ( -1.610 -1.610 -10.080) 10.334 6.449 ( -0.858 -0.858 -8.645) 8.729 6.487 ( 5.301 5.301 -6.930) 10.208 6.639 ( -2.551 -2.551 3.713) 5.177 6.751 ( -3.613 -3.613 -2.618) 5.742 6.754 ( -5.684 -5.684 8.170) 11.461 6.920 ( -1.770 -1.770 -2.415) 3.478 7.051 ( 4.118 4.118 -2.023) 6.166 7.108 ( 0.069 0.069 -3.780) 3.781 7.117 ( -3.939 -3.939 -11.000) 12.330 7.128 ( 1.265 1.265 -3.351) 3.799 7.201 ( -1.251 -1.251 -0.260) 1.788 7.374 ( 7.076 7.076 1.431) 10.109 7.424 ( -11.300 -11.300 -8.562) 18.130 7.718 ( -7.316 -7.316 12.782) 16.445 7.784 ( -4.608 -4.608 12.212) 13.842 7.798 ( -4.956 -4.956 9.534) 11.833 7.994 ( 6.478 6.478 -9.808) 13.421 8.023 ( -1.590 -1.590 26.112) 26.209 8.092 ( -3.454 -3.454 25.099) 25.570 8.244 ( -0.744 -0.744 -6.045) 6.136 8.326 ( 0.058 0.058 13.064) 13.065 8.326 ( 0.117 0.117 3.717) 3.721 8.349 ( 7.196 7.196 15.395) 18.455 8.418 ( -3.907 -3.907 -0.871) 5.594 8.485 ( -3.478 -3.478 2.519) 5.526 8.525 ( -1.481 -1.481 20.127) 20.236 8.571 ( 2.586 2.586 10.651) 11.261 8.584 ( 0.780 0.780 10.481) 10.538 8.604 ( 0.511 0.511 12.701) 12.722 8.687 ( 3.701 3.701 -1.048) 5.338 8.826 ( -1.429 -1.429 3.584) 4.115 8.883 ( 3.747 3.747 0.203) 5.303 8.946 ( 2.438 2.438 26.989) 27.208 8.974 ( -1.145 -1.145 0.439) 1.677 9.059 ( 4.792 4.792 -1.275) 6.895 9.070 ( -5.035 -5.035 12.205) 14.131 9.135 ( 2.350 2.350 -3.534) 4.851 9.144 ( -2.646 -2.646 15.250) 15.702 9.233 ( 6.370 6.370 11.438) 14.559 9.386 ( 3.451 3.451 3.974) 6.294 9.519 ( -0.812 -0.812 17.467) 17.504 9.539 ( 2.985 2.985 2.183) 4.753 9.553 ( 4.122 4.122 2.565) 6.369 9.602 ( 0.014 0.014 5.207) 5.207 9.624 ( 1.246 1.246 -0.288) 1.785 9.723 ( 6.558 6.558 4.193) 10.179 9.737 ( -4.146 -4.146 3.577) 6.868 9.895 ( 0.919 0.919 1.382) 1.898 9.997 ( 1.847 1.847 3.751) 4.571 10.000 ( 0.890 0.890 -0.954) 1.580 10.106 ( -3.090 -3.090 2.479) 5.024 10.107 ( -0.138 -0.138 1.931) 1.941 10.168 ( 0.049 0.049 -1.275) 1.277 10.250 ( -1.085 -1.085 3.405) 3.735 10.261 ( -0.439 -0.439 -8.278) 8.302 10.289 ( 0.507 0.507 -4.780) 4.833 10.359 ( -0.357 -0.357 2.165) 2.223 10.374 ( 1.694 1.694 5.032) 5.574 10.403 ( 1.453 1.453 -1.579) 2.591 10.523 ( -2.416 -2.416 -0.453) 3.446 10.576 ( -1.526 -1.526 0.772) 2.292 10.648 ( -1.965 -1.965 0.883) 2.916 10.670 ( 0.938 0.938 -3.001) 3.281 10.803 ( 1.866 1.866 -16.360) 16.572 10.813 ( -0.955 -0.955 0.732) 1.537 10.902 ( -1.455 -1.455 0.681) 2.168 10.957 ( -2.172 -2.172 0.697) 3.150 10.959 ( -3.333 -3.333 -1.348) 4.902 11.007 ( -4.167 -4.167 -11.640) 13.046 11.058 ( -2.178 -2.178 6.804) 7.469 11.139 ( 1.477 1.477 5.574) 5.952 11.143 ( 0.711 0.711 -0.147) 1.016 11.220 ( 0.977 0.977 -4.576) 4.780 11.230 ( 1.547 1.547 5.170) 5.614 11.328 ( -0.272 -0.272 -4.901) 4.916 11.377 ( -2.092 -2.092 7.894) 8.430 11.420 ( 3.826 3.826 -0.364) 5.424 11.423 ( -0.546 -0.546 3.178) 3.270 11.570 ( 1.259 1.259 -5.535) 5.814 11.576 ( 3.155 3.155 1.397) 4.676 11.628 ( 3.998 3.998 -4.038) 6.948 11.669 ( 2.165 2.165 4.412) 5.370 11.707 ( -2.993 -2.993 -8.675) 9.653 11.753 ( -4.766 -4.766 -9.991) 12.052 11.831 ( 0.881 0.881 -2.518) 2.809 11.884 ( -3.714 -3.714 9.897) 11.204 12.032 ( -1.477 -1.477 5.018) 5.435 12.083 ( 2.102 2.102 2.956) 4.192 12.085 ( -2.193 -2.193 6.138) 6.877 12.146 ( 0.329 0.329 -0.503) 0.685 12.203 ( -0.493 -0.493 -1.767) 1.899 12.238 ( -0.329 -0.329 4.827) 4.849 12.290 ( -1.894 -1.894 6.969) 7.466 12.302 ( 2.825 2.825 8.981) 9.829 12.331 ( 3.564 3.564 -4.285) 6.616 12.343 ( -3.000 -3.000 6.188) 7.503 12.380 ( -0.023 -0.023 6.689) 6.689 12.489 ( -0.740 -0.740 -4.017) 4.151 12.515 ( 0.427 0.427 7.809) 7.832 12.585 ( 0.380 0.380 0.214) 0.578 12.658 ( 3.324 3.324 10.583) 11.580 12.675 ( 2.787 2.787 -6.022) 7.197 12.700 ( 3.325 3.325 3.138) 5.653 12.775 ( 1.352 1.352 5.990) 6.287 12.823 ( 2.428 2.428 3.167) 4.671 12.902 ( 0.982 0.982 22.282) 22.326 12.916 ( -3.326 -3.326 18.645) 19.230 12.918 ( 4.691 4.691 7.835) 10.267 13.007 ( -5.323 -5.323 13.029) 15.047 13.057 ( -1.246 -1.246 2.924) 3.414 13.085 ( -2.212 -2.212 6.047) 6.808 13.115 ( -0.651 -0.651 -1.290) 1.585 13.140 ( -0.183 -0.183 3.534) 3.543 13.204 ( -0.219 -0.219 5.968) 5.976 13.217 ( -4.441 -4.441 1.404) 6.435 13.252 ( -0.823 -0.823 6.390) 6.495 13.275 ( -1.739 -1.739 -1.719) 3.001 13.285 ( -1.380 -1.380 7.805) 8.046 13.407 ( 2.116 2.116 9.945) 10.386 13.467 ( -0.664 -0.664 2.050) 2.255 13.555 ( 0.672 0.672 1.515) 1.788 13.717 ( -5.019 -5.019 3.087) 7.741 13.721 ( 2.732 2.732 -2.224) 4.458 13.808 ( 0.340 0.340 -2.891) 2.931 13.862 ( 3.131 3.131 2.628) 5.148 13.884 ( -0.119 -0.119 -3.234) 3.238 13.972 ( 2.177 2.177 1.905) 3.620 13.993 ( 2.692 2.692 0.151) 3.811 14.044 ( -1.036 -1.036 6.192) 6.363 14.044 ( 1.990 1.990 -3.645) 4.605 14.104 ( 2.854 2.854 0.464) 4.063 14.121 ( -0.849 -0.849 1.275) 1.751 14.178 ( -2.773 -2.773 -0.290) 3.932 14.214 ( 2.207 2.207 -5.570) 6.385 14.234 ( 3.840 3.840 4.192) 6.860 14.345 ( -1.734 -1.734 1.530) 2.890 14.370 ( -0.885 -0.885 -7.093) 7.203 14.462 ( -1.017 -1.017 -1.944) 2.419 14.682 ( -3.090 -3.090 6.295) 7.663 14.704 ( 0.346 0.346 2.374) 2.424 14.734 ( -2.814 -2.814 2.317) 4.604 14.830 ( -4.807 -4.807 1.433) 6.947 14.831 ( 1.988 1.988 4.846) 5.603 15.030 ( -4.510 -4.510 -2.581) 6.881 15.095 ( 5.812 5.812 1.091) 8.292 15.192 ( 4.765 4.765 -4.036) 7.855 15.314 ( 4.348 4.348 4.337) 7.525 15.453 ( -0.271 -0.271 3.907) 3.926 15.521 ( -0.368 -0.368 1.065) 1.185 15.585 ( -0.403 -0.403 -4.045) 4.085 15.607 ( 2.203 2.203 -6.423) 7.139 15.650 ( 0.941 0.941 0.880) 1.595 15.724 ( 2.096 2.096 -4.426) 5.327 15.782 ( 1.298 1.298 -7.582) 7.801 15.859 ( -1.173 -1.173 -6.254) 6.470 15.972 ( -1.013 -1.013 -0.909) 1.697 16.016 ( 1.351 1.351 3.302) 3.815 16.056 ( -2.583 -2.583 -1.599) 3.988 16.105 ( 0.141 0.141 -3.627) 3.632 16.159 ( -0.236 -0.236 -2.994) 3.012 16.214 ( -0.427 -0.427 4.004) 4.049 16.242 ( -2.138 -2.138 5.728) 6.477 16.282 ( -2.796 -2.796 -5.663) 6.907 16.407 ( -3.435 -3.435 7.393) 8.846 16.461 ( 3.102 3.102 -2.121) 4.873 16.560 ( -1.224 -1.224 0.124) 1.736 17.029 ( -0.648 -0.648 -13.715) 13.746 17.073 ( 0.533 0.533 -13.323) 13.344 17.089 ( -4.964 -4.964 -19.524) 20.748 17.154 ( -3.047 -3.047 -15.347) 15.940 17.169 ( 4.829 4.829 -10.495) 12.521 17.304 ( 2.623 2.623 -12.092) 12.648 17.348 ( 2.756 2.756 -13.592) 14.139 17.401 ( -1.681 -1.681 -18.668) 18.818 17.445 ( -2.645 -2.645 -12.393) 12.946 17.505 ( -2.738 -2.738 -5.258) 6.530 17.599 ( 3.029 3.029 -13.379) 14.048 17.686 ( 0.122 0.122 -11.402) 11.404 17.783 ( 3.928 3.928 -5.748) 7.993 17.951 ( -2.512 -2.512 -7.133) 7.969 18.055 ( 1.858 1.858 -5.240) 5.862 18.135 ( 2.183 2.183 -20.385) 20.617 18.236 ( -3.432 -3.432 -2.439) 5.432 18.271 ( -2.558 -2.558 -15.571) 15.986 18.463 ( 4.426 4.426 -10.760) 12.449 18.522 ( -0.484 -0.484 -10.108) 10.131 18.636 ( -1.036 -1.036 -4.882) 5.096 18.657 ( 1.912 1.912 -4.906) 5.602 18.693 ( 0.918 0.918 -5.479) 5.631 18.747 ( -5.021 -5.021 -9.590) 11.933 18.965 ( 0.811 0.811 -2.545) 2.792 18.971 ( 3.372 3.372 -6.867) 8.360 19.024 ( 3.393 3.393 -6.797) 8.320 19.057 ( -1.829 -1.829 -2.503) 3.599 19.153 ( -1.303 -1.303 -10.909) 11.064 19.170 ( -0.798 -0.798 -10.977) 11.035 19.283 ( 0.053 0.053 -8.119) 8.119 19.411 ( -2.854 -2.854 -6.618) 7.751 19.450 ( -3.693 -3.693 -11.541) 12.668 19.528 ( -3.508 -3.508 -9.244) 10.491 19.594 ( 4.360 4.360 -10.218) 11.934 19.695 ( 0.086 0.086 -14.095) 14.096 ======================= Grid point 107 (29/36) ======================= q-point: (-0.50 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -5.506 0.130 6.674) 8.653 1.314 ( 5.506 0.130 6.674) 8.653 1.646 ( -4.546 9.522 0.683) 10.574 1.646 ( 4.546 9.522 0.683) 10.574 1.766 ( -2.732 0.410 -2.145) 3.498 1.766 ( 2.732 0.410 -2.145) 3.498 1.795 ( -3.625 0.687 -3.090) 4.813 1.795 ( 3.625 0.687 -3.090) 4.813 2.016 ( -9.237 -4.553 2.109) 10.512 2.016 ( 9.237 -4.553 2.109) 10.512 2.234 ( -3.687 2.072 -2.034) 4.693 2.234 ( 3.687 2.072 -2.034) 4.693 2.305 ( -6.770 -0.504 -1.162) 6.887 2.305 ( 6.770 -0.504 -1.162) 6.887 2.523 ( -5.018 -1.842 -0.343) 5.357 2.523 ( 5.018 -1.842 -0.343) 5.357 2.771 ( -1.769 0.763 5.677) 5.995 2.771 ( 1.769 0.763 5.677) 5.995 2.798 ( -1.216 0.278 5.186) 5.334 2.798 ( 1.216 0.278 5.186) 5.334 2.967 ( -0.911 -1.225 2.253) 2.721 2.967 ( 0.911 -1.225 2.253) 2.721 3.152 ( -1.649 -2.376 6.739) 7.334 3.152 ( 1.649 -2.376 6.739) 7.334 4.780 ( -0.664 -0.275 9.265) 9.293 4.780 ( 0.664 -0.275 9.265) 9.293 5.312 ( -3.974 9.157 6.601) 11.967 5.312 ( 3.973 9.157 6.601) 11.967 5.478 ( -12.432 4.861 11.258) 17.462 5.478 ( 12.432 4.861 11.258) 17.462 5.793 ( -10.754 -7.774 10.414) 16.868 5.793 ( 10.754 -7.774 10.414) 16.868 6.109 ( -1.408 4.685 12.406) 13.336 6.109 ( 1.408 4.685 12.406) 13.336 6.325 ( -6.024 4.226 -5.359) 9.103 6.325 ( 6.024 4.226 -5.359) 9.103 6.416 ( -6.250 -2.693 -3.730) 7.761 6.416 ( 6.250 -2.693 -3.730) 7.761 6.512 ( -8.466 2.203 -0.816) 8.786 6.512 ( 8.466 2.203 -0.816) 8.786 6.620 ( -6.614 -6.480 0.823) 9.296 6.620 ( 6.614 -6.480 0.823) 9.296 6.800 ( -8.939 -1.697 -3.925) 9.909 6.800 ( 8.939 -1.697 -3.925) 9.909 7.069 ( -1.212 -2.800 -2.953) 4.246 7.069 ( 1.212 -2.800 -2.953) 4.246 7.135 ( -1.920 0.054 -5.382) 5.714 7.135 ( 1.920 0.054 -5.382) 5.714 7.237 ( -7.647 -10.588 -8.327) 15.490 7.237 ( 7.647 -10.588 -8.327) 15.490 7.570 ( -10.158 3.724 8.584) 13.810 7.570 ( 10.158 3.724 8.584) 13.810 7.740 ( -1.063 -3.182 9.763) 10.324 7.740 ( 1.063 -3.182 9.763) 10.324 8.015 ( -2.167 1.207 26.928) 27.042 8.015 ( 2.167 1.207 26.928) 27.042 8.131 ( -7.530 3.241 -6.800) 10.651 8.131 ( 7.530 3.241 -6.800) 10.651 8.335 ( -2.085 0.722 9.283) 9.542 8.335 ( 2.085 0.722 9.283) 9.542 8.395 ( -3.637 -4.817 4.986) 7.829 8.395 ( 3.637 -4.817 4.986) 7.829 8.481 ( -2.994 3.174 15.263) 15.874 8.481 ( 2.994 3.174 15.263) 15.874 8.580 ( -1.535 2.255 9.233) 9.628 8.580 ( 1.535 2.255 9.233) 9.628 8.734 ( -1.718 1.190 1.304) 2.463 8.734 ( 1.718 1.190 1.304) 2.463 8.822 ( -7.779 -8.345 14.958) 18.812 8.822 ( 7.779 -8.345 14.958) 18.812 8.950 ( -1.708 1.267 -0.431) 2.170 8.950 ( 1.708 1.267 -0.431) 2.170 9.088 ( -3.291 2.265 18.306) 18.737 9.088 ( 3.291 2.265 18.306) 18.737 9.144 ( -1.989 2.549 -0.676) 3.303 9.144 ( 1.989 2.549 -0.676) 3.303 9.367 ( -5.930 7.982 9.990) 14.095 9.367 ( 5.930 7.982 9.990) 14.095 9.529 ( -1.937 1.160 8.532) 8.826 9.529 ( 1.937 1.160 8.532) 8.826 9.605 ( -0.114 -0.698 1.673) 1.817 9.605 ( 0.114 -0.698 1.673) 1.817 9.677 ( -2.551 -1.776 2.360) 3.903 9.677 ( 2.551 -1.776 2.360) 3.903 9.850 ( -5.462 4.792 2.078) 7.557 9.850 ( 5.462 4.792 2.078) 7.557 9.995 ( -1.359 -3.318 2.274) 4.246 9.995 ( 1.359 -3.318 2.274) 4.246 10.100 ( -0.590 -2.118 3.994) 4.559 10.100 ( 0.590 -2.118 3.994) 4.559 10.218 ( -3.211 2.172 -1.001) 4.003 10.218 ( 3.211 2.172 -1.001) 4.003 10.271 ( -1.771 0.122 -4.585) 4.917 10.271 ( 1.771 0.122 -4.585) 4.917 10.357 ( -2.663 1.144 0.683) 2.978 10.357 ( 2.663 1.144 0.683) 2.978 10.457 ( -5.320 -0.034 0.446) 5.339 10.457 ( 5.320 -0.034 0.446) 5.339 10.608 ( -4.643 -3.268 -0.179) 5.680 10.608 ( 4.643 -3.268 -0.179) 5.680 10.726 ( -4.442 0.188 -2.128) 4.929 10.726 ( 4.442 0.188 -2.128) 4.929 10.861 ( -2.128 -1.259 -5.850) 6.351 10.861 ( 2.128 -1.259 -5.850) 6.351 10.909 ( -4.295 1.333 -7.731) 8.944 10.909 ( 4.295 1.333 -7.731) 8.944 11.015 ( -3.265 -2.847 3.058) 5.303 11.015 ( 3.265 -2.847 3.058) 5.303 11.159 ( -1.009 1.684 2.336) 3.052 11.159 ( 1.009 1.684 2.336) 3.052 11.240 ( -2.331 1.928 1.275) 3.283 11.240 ( 2.332 1.928 1.275) 3.283 11.323 ( -2.666 -2.650 2.985) 4.800 11.323 ( 2.666 -2.650 2.985) 4.800 11.457 ( -1.280 1.714 1.583) 2.661 11.457 ( 1.280 1.714 1.583) 2.661 11.605 ( -1.225 1.338 -4.302) 4.669 11.605 ( 1.225 1.338 -4.302) 4.669 11.667 ( -0.778 -1.734 -5.046) 5.392 11.667 ( 0.778 -1.734 -5.046) 5.392 11.696 ( -1.593 -2.892 -5.625) 6.523 11.696 ( 1.593 -2.892 -5.625) 6.523 11.840 ( -1.867 1.782 6.467) 6.963 11.840 ( 1.867 1.782 6.467) 6.963 12.030 ( -2.536 1.576 6.406) 7.068 12.030 ( 2.536 1.576 6.406) 7.068 12.129 ( -1.772 0.137 -1.635) 2.415 12.129 ( 1.772 0.137 -1.635) 2.415 12.218 ( -4.042 0.138 4.421) 5.992 12.218 ( 4.042 0.138 4.421) 5.992 12.281 ( -3.009 -3.634 4.820) 6.745 12.281 ( 3.009 -3.634 4.820) 6.745 12.358 ( -2.271 1.097 7.528) 7.939 12.358 ( 2.271 1.097 7.528) 7.939 12.426 ( -4.761 0.663 -1.398) 5.006 12.426 ( 4.761 0.663 -1.398) 5.006 12.567 ( -2.637 -2.678 3.347) 5.032 12.567 ( 2.637 -2.678 3.347) 5.032 12.692 ( -1.212 5.526 1.377) 5.823 12.692 ( 1.212 5.526 1.377) 5.823 12.792 ( -4.994 2.060 12.633) 13.739 12.792 ( 4.994 2.060 12.633) 13.739 12.853 ( -2.092 -0.519 7.715) 8.010 12.853 ( 2.092 -0.519 7.715) 8.010 12.916 ( -4.486 -1.807 9.058) 10.268 12.916 ( 4.486 -1.807 9.058) 10.268 13.024 ( -1.449 -0.211 8.656) 8.779 13.024 ( 1.449 -0.211 8.656) 8.779 13.072 ( -5.502 -1.006 6.518) 8.589 13.072 ( 5.502 -1.006 6.518) 8.589 13.169 ( -3.264 -2.062 0.823) 3.947 13.169 ( 3.264 -2.062 0.823) 3.947 13.194 ( -2.486 0.561 -1.404) 2.910 13.194 ( 2.486 0.561 -1.404) 2.910 13.264 ( -0.791 -1.198 7.732) 7.864 13.264 ( 0.791 -1.198 7.732) 7.864 13.447 ( -1.523 1.396 5.314) 5.702 13.447 ( 1.524 1.396 5.314) 5.702 13.616 ( -4.785 -4.346 1.923) 6.744 13.616 ( 4.785 -4.346 1.923) 6.744 13.780 ( -2.951 1.301 -1.742) 3.665 13.780 ( 2.951 1.301 -1.742) 3.665 13.887 ( -0.475 3.403 -1.101) 3.608 13.887 ( 0.475 3.403 -1.101) 3.608 13.997 ( -1.895 3.124 4.838) 6.062 13.997 ( 1.895 3.124 4.838) 6.062 14.081 ( -1.600 -1.501 -0.160) 2.200 14.081 ( 1.600 -1.501 -0.160) 2.200 14.103 ( -5.070 -4.006 0.797) 6.511 14.103 ( 5.070 -4.006 0.797) 6.511 14.208 ( -5.770 2.077 -1.353) 6.280 14.208 ( 5.770 2.077 -1.353) 6.280 14.295 ( -3.550 4.131 -2.673) 6.067 14.295 ( 3.550 4.131 -2.673) 6.067 14.407 ( -5.227 1.488 -0.484) 5.456 14.407 ( 5.227 1.488 -0.484) 5.456 14.664 ( -2.756 -1.726 3.711) 4.934 14.664 ( 2.756 -1.726 3.711) 4.934 14.745 ( -3.011 -1.573 2.857) 4.439 14.745 ( 3.011 -1.573 2.857) 4.439 14.923 ( -5.943 -5.818 1.355) 8.426 14.923 ( 5.943 -5.818 1.355) 8.426 15.198 ( -3.969 4.987 -1.549) 6.559 15.198 ( 3.969 4.987 -1.549) 6.559 15.432 ( -5.531 2.494 1.705) 6.303 15.432 ( 5.531 2.494 1.705) 6.303 15.527 ( -2.492 2.328 2.215) 4.066 15.527 ( 2.492 2.328 2.215) 4.066 15.654 ( -2.915 2.503 -6.219) 7.310 15.654 ( 2.915 2.503 -6.219) 7.310 15.771 ( -3.118 0.513 -4.110) 5.184 15.771 ( 3.118 0.513 -4.110) 5.184 15.891 ( -4.190 -3.186 -4.771) 7.104 15.891 ( 4.190 -3.186 -4.771) 7.104 16.022 ( -1.087 -4.908 1.087) 5.143 16.022 ( 1.087 -4.908 1.087) 5.143 16.129 ( -2.111 3.566 -3.648) 5.521 16.129 ( 2.111 3.566 -3.648) 5.521 16.221 ( -0.735 -0.352 -1.115) 1.381 16.221 ( 0.735 -0.352 -1.115) 1.381 16.315 ( -6.107 -2.445 4.323) 7.871 16.315 ( 6.107 -2.445 4.323) 7.871 16.522 ( -2.883 0.940 0.238) 3.042 16.522 ( 2.883 0.940 0.238) 3.042 17.029 ( -1.336 -2.118 -17.378) 17.557 17.029 ( 1.336 -2.118 -17.378) 17.557 17.100 ( -2.347 -2.397 -15.250) 15.615 17.100 ( 2.347 -2.397 -15.250) 15.615 17.285 ( -6.761 3.447 -12.221) 14.386 17.285 ( 6.761 3.447 -12.221) 14.386 17.357 ( -2.861 2.085 -13.206) 13.672 17.357 ( 2.861 2.085 -13.206) 13.672 17.460 ( -2.774 -5.573 -8.983) 10.929 17.460 ( 2.774 -5.573 -8.983) 10.929 17.666 ( -2.687 1.443 -12.367) 12.738 17.666 ( 2.687 1.443 -12.367) 12.738 17.864 ( -4.944 3.714 -6.709) 9.124 17.864 ( 4.944 3.714 -6.709) 9.124 18.136 ( -5.056 -0.467 -5.663) 7.606 18.136 ( 5.056 -0.467 -5.663) 7.606 18.206 ( -3.549 -1.273 -15.531) 15.982 18.206 ( 3.549 -1.273 -15.531) 15.982 18.536 ( -1.072 -1.217 -11.140) 11.257 18.536 ( 1.072 -1.217 -11.140) 11.257 18.631 ( -3.054 0.214 -6.307) 7.011 18.631 ( 3.054 0.214 -6.307) 7.011 18.696 ( -1.605 0.373 -5.431) 5.676 18.696 ( 1.605 0.373 -5.431) 5.676 18.982 ( -1.417 -1.655 -1.887) 2.882 18.982 ( 1.417 -1.655 -1.887) 2.882 19.094 ( -4.462 2.383 -8.982) 10.308 19.094 ( 4.462 2.383 -8.982) 10.308 19.112 ( -4.592 2.861 -9.534) 10.962 19.112 ( 4.592 2.861 -9.534) 10.962 19.325 ( -4.112 -3.361 -8.688) 10.182 19.325 ( 4.112 -3.361 -8.688) 10.182 19.459 ( -3.114 -4.022 -7.714) 9.240 19.459 ( 3.114 -4.022 -7.714) 9.240 19.668 ( -2.902 2.534 -12.501) 13.081 19.668 ( 2.902 2.534 -12.501) 13.081 ======================= Grid point 114 (30/36) ======================= q-point: (-0.50 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 34 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.000 0.000 6.912) 6.912 1.315 ( 0.000 0.000 6.912) 6.912 1.765 ( -0.000 -0.000 -0.734) 0.734 1.765 ( 0.000 0.000 -0.734) 0.734 1.768 ( -0.000 -0.000 -0.611) 0.611 1.768 ( 0.000 0.000 -0.611) 0.611 1.821 ( -0.000 -0.000 -8.627) 8.627 1.821 ( 0.000 0.000 -8.627) 8.627 1.968 ( -0.000 -0.000 7.097) 7.097 1.968 ( 0.000 0.000 7.097) 7.097 2.189 ( 0.000 0.000 2.050) 2.050 2.189 ( 0.000 0.000 2.050) 2.050 2.366 ( -0.000 -0.000 -6.262) 6.262 2.366 ( 0.000 0.000 -6.262) 6.262 2.471 ( -0.000 -0.000 0.246) 0.246 2.471 ( 0.000 0.000 0.246) 0.246 2.791 ( 0.000 0.000 6.334) 6.334 2.791 ( 0.000 0.000 6.334) 6.334 2.806 ( 0.000 0.000 4.611) 4.611 2.806 ( 0.000 0.000 4.611) 4.611 2.945 ( -0.000 -0.000 1.443) 1.443 2.945 ( 0.000 0.000 1.443) 1.443 3.123 ( 0.000 0.000 7.626) 7.626 3.123 ( 0.000 0.000 7.626) 7.626 4.773 ( 0.000 0.000 9.803) 9.803 4.773 ( 0.000 0.000 9.803) 9.803 5.503 ( -0.000 -0.000 9.888) 9.888 5.503 ( 0.000 0.000 9.888) 9.888 5.575 ( -0.000 -0.000 7.564) 7.564 5.575 ( 0.000 0.000 7.564) 7.564 5.580 ( 0.000 0.000 9.651) 9.651 5.580 ( 0.000 0.000 9.651) 9.651 6.232 ( -0.000 -0.000 9.182) 9.182 6.232 ( 0.000 0.000 9.182) 9.182 6.282 ( 0.000 0.000 10.634) 10.634 6.282 ( 0.000 0.000 10.634) 10.634 6.411 ( 0.000 0.000 -10.393) 10.393 6.411 ( 0.000 0.000 -10.393) 10.393 6.521 ( -0.000 -0.000 -3.549) 3.549 6.521 ( 0.000 0.000 -3.549) 3.549 6.576 ( 0.000 0.000 3.430) 3.430 6.576 ( 0.000 0.000 3.430) 3.430 6.779 ( 0.000 0.000 -5.773) 5.773 6.779 ( 0.000 0.000 -5.773) 5.773 7.013 ( 0.000 0.000 -0.881) 0.881 7.013 ( 0.000 0.000 -0.881) 0.881 7.115 ( 0.000 0.000 -12.716) 12.716 7.115 ( 0.000 0.000 -12.716) 12.716 7.150 ( 0.000 0.000 -7.048) 7.048 7.150 ( 0.000 0.000 -7.048) 7.048 7.608 ( 0.000 0.000 8.372) 8.372 7.608 ( 0.000 0.000 8.372) 8.372 7.708 ( -0.000 -0.000 8.253) 8.253 7.708 ( 0.000 0.000 8.253) 8.253 8.033 ( -0.000 -0.000 32.637) 32.637 8.033 ( 0.000 0.000 32.637) 32.637 8.170 ( -0.000 -0.000 -10.764) 10.764 8.170 ( 0.000 0.000 -10.764) 10.764 8.293 ( 0.000 0.000 -2.303) 2.303 8.293 ( 0.000 0.000 -2.303) 2.303 8.376 ( 0.000 0.000 13.916) 13.916 8.376 ( 0.000 0.000 13.916) 13.916 8.552 ( 0.000 0.000 8.936) 8.936 8.552 ( 0.000 0.000 8.936) 8.936 8.600 ( -0.000 -0.000 18.333) 18.333 8.600 ( 0.000 0.000 18.333) 18.333 8.678 ( -0.000 -0.000 19.390) 19.390 8.678 ( 0.000 0.000 19.390) 19.390 8.769 ( -0.000 -0.000 -1.288) 1.288 8.769 ( 0.000 0.000 -1.288) 1.288 8.976 ( -0.000 -0.000 -1.847) 1.847 8.976 ( 0.000 0.000 -1.847) 1.847 9.117 ( -0.000 -0.000 20.874) 20.874 9.117 ( 0.000 0.000 20.874) 20.874 9.172 ( -0.000 -0.000 -1.294) 1.294 9.172 ( 0.000 0.000 -1.294) 1.294 9.480 ( 0.000 0.000 4.063) 4.063 9.480 ( 0.000 0.000 4.063) 4.063 9.513 ( -0.000 -0.000 16.570) 16.570 9.513 ( 0.000 0.000 16.570) 16.570 9.598 ( -0.000 -0.000 -0.802) 0.802 9.598 ( 0.000 0.000 -0.802) 0.802 9.665 ( -0.000 -0.000 1.986) 1.986 9.665 ( 0.000 0.000 1.986) 1.986 9.902 ( 0.000 0.000 0.858) 0.858 9.902 ( 0.000 0.000 0.858) 0.858 9.949 ( -0.000 -0.000 2.029) 2.029 9.949 ( 0.000 0.000 2.029) 2.029 10.088 ( 0.000 0.000 7.270) 7.270 10.088 ( 0.000 0.000 7.270) 7.270 10.236 ( 0.000 0.000 -1.605) 1.605 10.236 ( -0.000 -0.000 -1.605) 1.605 10.301 ( -0.000 -0.000 -6.083) 6.083 10.301 ( 0.000 0.000 -6.083) 6.083 10.319 ( -0.000 -0.000 -1.748) 1.748 10.319 ( 0.000 0.000 -1.748) 1.748 10.497 ( -0.000 -0.000 3.259) 3.259 10.497 ( 0.000 0.000 3.259) 3.259 10.557 ( 0.000 0.000 0.318) 0.318 10.557 ( 0.000 0.000 0.318) 0.318 10.736 ( 0.000 0.000 -0.540) 0.540 10.736 ( 0.000 0.000 -0.540) 0.540 10.819 ( -0.000 -0.000 -13.891) 13.891 10.819 ( 0.000 0.000 -13.891) 13.891 10.912 ( 0.000 0.000 -6.420) 6.420 10.912 ( -0.000 -0.000 -6.420) 6.420 11.007 ( 0.000 0.000 5.289) 5.289 11.007 ( 0.000 0.000 5.289) 5.289 11.190 ( -0.000 -0.000 2.755) 2.755 11.190 ( 0.000 0.000 2.755) 2.755 11.233 ( -0.000 -0.000 -1.603) 1.603 11.233 ( 0.000 0.000 -1.603) 1.603 11.314 ( 0.000 0.000 11.104) 11.104 11.314 ( 0.000 0.000 11.104) 11.104 11.483 ( 0.000 0.000 3.889) 3.889 11.483 ( 0.000 0.000 3.889) 3.889 11.613 ( -0.000 -0.000 -8.493) 8.493 11.613 ( 0.000 0.000 -8.493) 8.493 11.629 ( 0.000 0.000 -11.153) 11.153 11.629 ( 0.000 0.000 -11.153) 11.153 11.675 ( 0.000 0.000 -3.540) 3.540 11.675 ( 0.000 0.000 -3.540) 3.540 11.861 ( 0.000 0.000 7.106) 7.106 11.861 ( 0.000 0.000 7.106) 7.106 12.054 ( 0.000 0.000 9.076) 9.076 12.054 ( 0.000 0.000 9.076) 9.076 12.140 ( -0.000 -0.000 -5.983) 5.983 12.140 ( 0.000 0.000 -5.983) 5.983 12.210 ( 0.000 0.000 7.950) 7.950 12.210 ( 0.000 0.000 7.950) 7.950 12.224 ( -0.000 -0.000 4.414) 4.414 12.224 ( 0.000 0.000 4.414) 4.414 12.373 ( -0.000 -0.000 8.370) 8.370 12.373 ( 0.000 0.000 8.370) 8.370 12.461 ( -0.000 -0.000 -7.273) 7.273 12.461 ( 0.000 0.000 -7.273) 7.273 12.519 ( -0.000 -0.000 8.450) 8.450 12.519 ( 0.000 0.000 8.450) 8.450 12.772 ( 0.000 0.000 10.663) 10.663 12.772 ( 0.000 0.000 10.663) 10.663 12.831 ( -0.000 -0.000 -0.217) 0.217 12.831 ( 0.000 0.000 -0.217) 0.217 12.850 ( -0.000 -0.000 9.105) 9.105 12.850 ( 0.000 0.000 9.105) 9.105 12.854 ( -0.000 -0.000 13.488) 13.488 12.854 ( 0.000 0.000 13.488) 13.488 13.012 ( 0.000 0.000 8.825) 8.825 13.012 ( 0.000 0.000 8.825) 8.825 13.090 ( -0.000 -0.000 4.336) 4.336 13.090 ( 0.000 0.000 4.336) 4.336 13.124 ( -0.000 -0.000 -4.634) 4.634 13.124 ( 0.000 0.000 -4.634) 4.634 13.214 ( -0.000 -0.000 12.324) 12.324 13.214 ( 0.000 0.000 12.324) 12.324 13.236 ( 0.000 0.000 -2.767) 2.767 13.236 ( 0.000 0.000 -2.767) 2.767 13.466 ( 0.000 0.000 2.906) 2.906 13.466 ( 0.000 0.000 2.906) 2.906 13.570 ( 0.000 0.000 5.372) 5.372 13.570 ( 0.000 0.000 5.372) 5.372 13.781 ( 0.000 0.000 -0.849) 0.849 13.781 ( 0.000 0.000 -0.849) 0.849 13.961 ( 0.000 0.000 -2.077) 2.077 13.961 ( 0.000 0.000 -2.077) 2.077 14.032 ( -0.000 -0.000 10.694) 10.694 14.032 ( 0.000 0.000 10.694) 10.694 14.044 ( -0.000 -0.000 -0.446) 0.446 14.044 ( 0.000 0.000 -0.446) 0.446 14.061 ( 0.000 0.000 -2.384) 2.384 14.061 ( 0.000 0.000 -2.384) 2.384 14.233 ( 0.000 0.000 -0.464) 0.464 14.233 ( 0.000 0.000 -0.464) 0.464 14.326 ( -0.000 -0.000 -8.905) 8.905 14.326 ( 0.000 0.000 -8.905) 8.905 14.440 ( 0.000 0.000 3.206) 3.206 14.440 ( 0.000 0.000 3.206) 3.206 14.637 ( -0.000 -0.000 4.503) 4.503 14.637 ( 0.000 0.000 4.503) 4.503 14.733 ( -0.000 -0.000 0.433) 0.433 14.733 ( 0.000 0.000 0.433) 0.433 14.853 ( -0.000 -0.000 3.780) 3.780 14.853 ( 0.000 0.000 3.780) 3.780 15.257 ( -0.000 -0.000 -3.849) 3.849 15.257 ( 0.000 0.000 -3.849) 3.849 15.493 ( -0.000 -0.000 3.315) 3.315 15.493 ( 0.000 0.000 3.315) 3.315 15.532 ( -0.000 -0.000 5.346) 5.346 15.532 ( 0.000 0.000 5.346) 5.346 15.677 ( 0.000 0.000 -10.415) 10.415 15.677 ( 0.000 0.000 -10.415) 10.415 15.791 ( -0.000 -0.000 -1.904) 1.904 15.791 ( 0.000 0.000 -1.904) 1.904 15.852 ( 0.000 0.000 -5.019) 5.019 15.852 ( 0.000 0.000 -5.019) 5.019 15.947 ( -0.000 -0.000 0.174) 0.174 15.947 ( 0.000 0.000 0.174) 0.174 16.182 ( -0.000 -0.000 -7.403) 7.403 16.182 ( 0.000 0.000 -7.403) 7.403 16.192 ( 0.000 0.000 -5.204) 5.204 16.192 ( 0.000 0.000 -5.204) 5.204 16.296 ( 0.000 0.000 8.000) 8.000 16.296 ( 0.000 0.000 8.000) 8.000 16.534 ( 0.000 0.000 2.127) 2.127 16.534 ( 0.000 0.000 2.127) 2.127 17.012 ( -0.000 -0.000 -18.224) 18.224 17.012 ( 0.000 0.000 -18.224) 18.224 17.073 ( 0.000 0.000 -16.674) 16.674 17.073 ( 0.000 0.000 -16.674) 16.674 17.354 ( -0.000 -0.000 -11.279) 11.279 17.354 ( 0.000 0.000 -11.279) 11.279 17.362 ( 0.000 0.000 -8.287) 8.287 17.362 ( 0.000 0.000 -8.287) 8.287 17.381 ( 0.000 0.000 -10.794) 10.794 17.381 ( 0.000 0.000 -10.794) 10.794 17.684 ( 0.000 0.000 -13.109) 13.109 17.684 ( 0.000 0.000 -13.109) 13.109 17.908 ( -0.000 -0.000 -6.925) 6.925 17.908 ( 0.000 0.000 -6.925) 6.925 18.137 ( 0.000 0.000 -2.440) 2.440 18.137 ( 0.000 0.000 -2.440) 2.440 18.179 ( -0.000 -0.000 -18.833) 18.833 18.179 ( 0.000 0.000 -18.833) 18.833 18.529 ( 0.000 0.000 -12.091) 12.091 18.529 ( 0.000 0.000 -12.091) 12.091 18.623 ( -0.000 -0.000 -5.367) 5.367 18.623 ( 0.000 0.000 -5.367) 5.367 18.706 ( -0.000 -0.000 -5.590) 5.590 18.706 ( 0.000 0.000 -5.590) 5.590 18.963 ( 0.000 0.000 -0.408) 0.408 18.963 ( 0.000 0.000 -0.408) 0.408 19.129 ( 0.000 0.000 -10.479) 10.479 19.129 ( 0.000 0.000 -10.479) 10.479 19.149 ( -0.000 -0.000 -10.983) 10.983 19.149 ( 0.000 0.000 -10.983) 10.983 19.278 ( -0.000 -0.000 -7.187) 7.187 19.278 ( -0.000 -0.000 -7.187) 7.187 19.413 ( -0.000 -0.000 -6.642) 6.642 19.413 ( 0.000 0.000 -6.642) 6.642 19.693 ( 0.000 0.000 -12.507) 12.507 19.693 ( 0.000 0.000 -12.507) 12.507 ======================= Grid point 125 (31/36) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 0.000 0.000 9.860) 9.860 1.424 ( -0.000 0.000 9.860) 9.860 1.476 ( -0.000 -0.000 2.848) 2.848 1.543 ( -0.000 0.000 -4.338) 4.338 1.689 ( 0.000 -0.000 0.012) 0.012 1.692 ( 0.000 0.000 -6.599) 6.599 1.692 ( 0.000 0.000 -6.599) 6.599 1.708 ( -0.000 -0.000 -1.837) 1.837 1.865 ( 0.000 0.000 -0.862) 0.862 1.865 ( 0.000 -0.000 -0.862) 0.862 2.234 ( 0.000 0.000 3.245) 3.245 2.299 ( -0.000 0.000 -3.305) 3.305 2.393 ( 0.000 0.000 -0.287) 0.287 2.393 ( 0.000 0.000 -0.287) 0.287 2.499 ( 0.000 0.000 5.153) 5.153 2.600 ( -0.000 0.000 -5.215) 5.215 2.779 ( 0.000 0.000 2.896) 2.896 2.779 ( 0.000 0.000 2.896) 2.896 2.909 ( 0.000 0.000 2.071) 2.071 2.909 ( 0.000 0.000 2.071) 2.071 3.047 ( 0.000 0.000 2.487) 2.487 3.074 ( -0.000 0.000 -0.232) 0.232 3.278 ( -0.000 -0.000 3.793) 3.793 3.310 ( 0.000 0.000 0.434) 0.434 4.935 ( 0.000 0.000 4.106) 4.106 4.989 ( 0.000 0.000 -1.817) 1.817 5.181 ( 0.000 0.000 11.234) 11.234 5.181 ( 0.000 0.000 11.234) 11.234 5.321 ( 0.000 0.000 -2.964) 2.964 5.321 ( 0.000 0.000 -2.964) 2.964 6.011 ( -0.000 0.000 3.876) 3.876 6.049 ( 0.000 0.000 -2.991) 2.991 6.049 ( 0.000 0.000 -2.991) 2.991 6.096 ( 0.000 0.000 -4.721) 4.721 6.282 ( 0.000 0.000 -4.850) 4.850 6.282 ( 0.000 0.000 -4.850) 4.850 6.473 ( -0.000 -0.000 8.590) 8.590 6.473 ( 0.000 0.000 8.590) 8.590 6.665 ( -0.000 -0.000 12.630) 12.630 6.665 ( 0.000 0.000 12.630) 12.630 6.778 ( 0.000 -0.000 3.475) 3.475 6.836 ( 0.000 0.000 -2.849) 2.849 6.877 ( 0.000 0.000 -10.638) 10.638 6.877 ( -0.000 0.000 -10.638) 10.638 6.952 ( 0.000 -0.000 5.289) 5.289 6.964 ( 0.000 0.000 3.172) 3.172 7.038 ( 0.000 0.000 -12.755) 12.755 7.038 ( 0.000 -0.000 -12.755) 12.755 7.126 ( 0.000 0.000 19.557) 19.557 7.350 ( 0.000 0.000 8.368) 8.368 7.486 ( 0.000 0.000 -17.235) 17.235 7.522 ( 0.000 0.000 -9.568) 9.568 8.022 ( 0.000 0.000 2.625) 2.625 8.059 ( 0.000 0.000 -1.543) 1.543 8.178 ( 0.000 0.000 0.447) 0.447 8.178 ( 0.000 0.000 0.447) 0.447 8.314 ( -0.000 0.000 7.640) 7.640 8.441 ( -0.000 -0.000 11.112) 11.112 8.441 ( 0.000 0.000 11.112) 11.112 8.444 ( -0.000 0.000 -6.390) 6.390 8.484 ( 0.000 -0.000 6.333) 6.333 8.550 ( 0.000 0.000 -0.680) 0.680 8.550 ( 0.000 0.000 -0.680) 0.680 8.572 ( 0.000 0.000 -2.745) 2.745 8.622 ( 0.000 0.000 -0.235) 0.235 8.622 ( 0.000 0.000 -0.235) 0.235 8.636 ( 0.000 0.000 14.434) 14.434 8.831 ( -0.000 -0.000 -6.263) 6.263 8.955 ( -0.000 0.000 6.784) 6.784 8.955 ( 0.000 0.000 6.784) 6.784 8.961 ( 0.000 0.000 9.769) 9.769 9.021 ( 0.000 0.000 5.205) 5.205 9.042 ( 0.000 0.000 -1.699) 1.699 9.095 ( -0.000 0.000 -1.820) 1.820 9.378 ( -0.000 -0.000 -4.733) 4.733 9.378 ( -0.000 0.000 -4.733) 4.733 9.440 ( -0.000 0.000 7.507) 7.507 9.440 ( -0.000 -0.000 7.507) 7.507 9.546 ( 0.000 0.000 -3.421) 3.421 9.546 ( 0.000 0.000 -3.421) 3.421 9.562 ( 0.000 0.000 26.745) 26.745 9.668 ( 0.000 0.000 33.028) 33.028 9.803 ( 0.000 0.000 8.705) 8.705 9.807 ( 0.000 0.000 5.194) 5.194 9.857 ( 0.000 0.000 -1.246) 1.246 9.863 ( -0.000 -0.000 -2.234) 2.234 10.017 ( 0.000 0.000 -16.606) 16.606 10.022 ( 0.000 0.000 8.693) 8.693 10.022 ( 0.000 0.000 8.693) 8.693 10.158 ( -0.000 -0.000 8.085) 8.085 10.160 ( -0.000 -0.000 -3.529) 3.529 10.160 ( 0.000 0.000 -3.529) 3.529 10.177 ( 0.000 0.000 -14.118) 14.118 10.343 ( 0.000 0.000 -15.211) 15.211 10.399 ( -0.000 -0.000 4.398) 4.398 10.399 ( 0.000 0.000 4.398) 4.398 10.441 ( -0.000 -0.000 9.075) 9.075 10.563 ( 0.000 0.000 -0.456) 0.456 10.563 ( 0.000 0.000 -0.456) 0.456 10.679 ( -0.000 -0.000 21.807) 21.807 10.692 ( -0.000 0.000 -0.109) 0.109 10.692 ( 0.000 0.000 -0.109) 0.109 10.783 ( 0.000 0.000 -23.786) 23.786 10.968 ( 0.000 0.000 -8.595) 8.595 10.968 ( 0.000 0.000 -8.595) 8.595 10.982 ( 0.000 0.000 -2.159) 2.159 11.023 ( 0.000 0.000 16.662) 16.662 11.098 ( -0.000 -0.000 1.775) 1.775 11.121 ( 0.000 0.000 -2.177) 2.177 11.140 ( 0.000 0.000 -2.862) 2.862 11.213 ( 0.000 0.000 -1.221) 1.221 11.279 ( 0.000 0.000 4.447) 4.447 11.279 ( 0.000 0.000 4.447) 4.447 11.377 ( 0.000 0.000 2.755) 2.755 11.413 ( -0.000 -0.000 -22.583) 22.583 11.458 ( -0.000 -0.000 -3.087) 3.087 11.458 ( 0.000 0.000 -3.087) 3.087 11.471 ( 0.000 0.000 9.580) 9.580 11.536 ( 0.000 0.000 -12.673) 12.673 11.538 ( 0.000 0.000 1.895) 1.895 11.538 ( 0.000 0.000 1.895) 1.895 11.659 ( -0.000 0.000 -9.975) 9.975 11.935 ( 0.000 0.000 18.242) 18.242 12.088 ( 0.000 0.000 2.311) 2.311 12.088 ( 0.000 -0.000 2.311) 2.311 12.147 ( -0.000 0.000 0.002) 0.002 12.168 ( 0.000 -0.000 -3.886) 3.886 12.227 ( 0.000 0.000 3.052) 3.052 12.227 ( 0.000 0.000 3.052) 3.052 12.282 ( 0.000 0.000 -14.998) 14.998 12.284 ( 0.000 0.000 3.276) 3.276 12.284 ( -0.000 -0.000 3.276) 3.276 12.385 ( 0.000 0.000 5.979) 5.979 12.389 ( 0.000 -0.000 -4.789) 4.789 12.389 ( 0.000 0.000 -4.789) 4.789 12.440 ( 0.000 0.000 0.298) 0.298 12.473 ( 0.000 0.000 5.438) 5.438 12.558 ( 0.000 0.000 -3.635) 3.635 12.641 ( -0.000 0.000 -0.192) 0.192 12.641 ( -0.000 0.000 -0.192) 0.192 12.738 ( 0.000 0.000 18.235) 18.235 12.807 ( 0.000 0.000 1.664) 1.664 12.807 ( 0.000 -0.000 1.664) 1.664 13.049 ( 0.000 0.000 -13.102) 13.102 13.089 ( 0.000 0.000 0.771) 0.771 13.089 ( 0.000 0.000 0.771) 0.771 13.138 ( -0.000 0.000 17.138) 17.138 13.283 ( 0.000 0.000 2.695) 2.695 13.283 ( 0.000 0.000 2.695) 2.695 13.298 ( 0.000 0.000 1.300) 1.300 13.298 ( 0.000 0.000 1.300) 1.300 13.382 ( 0.000 0.000 22.165) 22.165 13.436 ( 0.000 0.000 9.534) 9.534 13.436 ( 0.000 0.000 9.534) 9.534 13.437 ( 0.000 -0.000 -6.486) 6.486 13.487 ( 0.000 0.000 11.702) 11.702 13.500 ( -0.000 -0.000 4.859) 4.859 13.538 ( 0.000 0.000 0.624) 0.624 13.538 ( 0.000 -0.000 0.624) 0.624 13.646 ( 0.000 0.000 12.992) 12.992 13.669 ( 0.000 0.000 -6.826) 6.826 13.755 ( 0.000 0.000 -7.753) 7.753 13.755 ( 0.000 0.000 -7.753) 7.753 13.861 ( 0.000 0.000 -5.882) 5.882 13.864 ( -0.000 -0.000 1.440) 1.440 13.945 ( 0.000 0.000 -6.542) 6.542 14.023 ( 0.000 0.000 8.400) 8.400 14.060 ( -0.000 -0.000 1.720) 1.720 14.060 ( 0.000 0.000 1.720) 1.720 14.111 ( 0.000 0.000 -4.915) 4.915 14.211 ( 0.000 0.000 3.196) 3.196 14.222 ( 0.000 0.000 -0.756) 0.756 14.222 ( -0.000 -0.000 -0.756) 0.756 14.253 ( 0.000 0.000 -2.951) 2.951 14.397 ( 0.000 0.000 -3.754) 3.754 14.397 ( 0.000 0.000 -3.754) 3.754 14.784 ( 0.000 0.000 1.908) 1.908 14.784 ( 0.000 0.000 1.908) 1.908 14.837 ( 0.000 -0.000 9.496) 9.496 14.893 ( 0.000 0.000 -3.616) 3.616 14.919 ( 0.000 0.000 -3.973) 3.973 14.935 ( -0.000 0.000 -1.590) 1.590 14.935 ( -0.000 -0.000 -1.590) 1.590 15.016 ( -0.000 -0.000 -8.228) 8.228 15.412 ( 0.000 0.000 4.700) 4.700 15.488 ( 0.000 -0.000 -2.177) 2.177 15.488 ( 0.000 -0.000 -2.177) 2.177 15.540 ( 0.000 0.000 3.975) 3.975 15.591 ( -0.000 -0.000 -0.971) 0.971 15.594 ( 0.000 -0.000 -13.871) 13.871 15.629 ( 0.000 -0.000 18.512) 18.512 15.733 ( 0.000 0.000 0.050) 0.050 15.733 ( 0.000 0.000 0.050) 0.050 15.942 ( 0.000 0.000 0.607) 0.607 15.942 ( -0.000 0.000 0.607) 0.607 15.958 ( -0.000 0.000 -7.080) 7.080 16.082 ( 0.000 -0.000 -3.941) 3.941 16.108 ( 0.000 0.000 -12.655) 12.655 16.341 ( 0.000 0.000 -0.675) 0.675 16.341 ( 0.000 0.000 -0.675) 0.675 16.450 ( 0.000 0.000 8.887) 8.887 16.450 ( 0.000 0.000 8.887) 8.887 16.666 ( -0.000 0.000 11.282) 11.282 16.690 ( -0.000 -0.000 10.492) 10.492 16.850 ( -0.000 -0.000 -6.341) 6.341 16.928 ( -0.000 0.000 -6.023) 6.023 16.928 ( -0.000 0.000 -6.023) 6.023 16.973 ( -0.000 -0.000 -18.056) 18.056 16.976 ( 0.000 0.000 -9.039) 9.039 16.999 ( -0.000 -0.000 -9.424) 9.424 17.062 ( 0.000 0.000 -0.007) 0.007 17.153 ( 0.000 0.000 -7.350) 7.350 17.244 ( 0.000 0.000 -7.327) 7.327 17.244 ( -0.000 -0.000 -7.327) 7.327 17.564 ( 0.000 0.000 -3.189) 3.189 17.564 ( 0.000 0.000 -3.189) 3.189 17.595 ( 0.000 0.000 1.715) 1.715 17.702 ( 0.000 0.000 -11.575) 11.575 17.975 ( 0.000 0.000 -1.774) 1.774 17.975 ( 0.000 0.000 -1.774) 1.774 18.096 ( 0.000 0.000 -6.697) 6.697 18.101 ( 0.000 0.000 -7.244) 7.244 18.330 ( -0.000 -0.000 1.800) 1.800 18.406 ( -0.000 -0.000 -6.068) 6.068 18.555 ( 0.000 0.000 -2.782) 2.782 18.555 ( 0.000 0.000 -2.782) 2.782 18.593 ( 0.000 0.000 1.606) 1.606 18.686 ( -0.000 -0.000 -7.700) 7.700 18.821 ( -0.000 -0.000 -1.424) 1.424 18.821 ( 0.000 0.000 -1.424) 1.424 19.008 ( 0.000 0.000 2.029) 2.029 19.047 ( 0.000 0.000 -3.561) 3.561 19.047 ( 0.000 -0.000 -3.561) 3.561 19.085 ( 0.000 0.000 -4.895) 4.895 19.185 ( 0.000 0.000 1.832) 1.832 19.314 ( -0.000 -0.000 -3.145) 3.145 19.314 ( -0.000 0.000 -3.145) 3.145 19.332 ( 0.000 -0.000 -12.578) 12.578 19.513 ( 0.000 0.000 -2.658) 2.658 19.513 ( 0.000 0.000 -2.658) 2.658 ======================= Grid point 126 (32/36) ======================= q-point: ( 0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -0.490 0.000 6.883) 6.901 1.483 ( -2.850 0.000 0.371) 2.874 1.520 ( 6.899 0.000 8.823) 11.200 1.621 ( 5.849 0.000 0.592) 5.879 1.640 ( -1.978 0.000 -1.139) 2.282 1.683 ( 0.409 0.000 -4.410) 4.429 1.696 ( 0.162 0.000 -5.847) 5.849 1.760 ( 2.316 0.000 -2.452) 3.373 1.934 ( 7.639 0.000 -0.985) 7.702 1.940 ( 7.103 0.000 -0.386) 7.114 2.205 ( -3.549 0.000 1.341) 3.794 2.282 ( -0.151 0.000 -1.710) 1.717 2.319 ( -7.477 0.000 0.368) 7.486 2.399 ( -1.121 0.000 -0.397) 1.190 2.508 ( 0.789 0.000 2.861) 2.968 2.572 ( -2.382 0.000 -3.492) 4.227 2.802 ( 2.189 0.000 2.625) 3.417 2.814 ( 3.240 0.000 2.656) 4.189 2.882 ( -1.612 0.000 2.022) 2.586 2.894 ( -1.639 0.000 2.150) 2.704 3.029 ( -1.901 0.000 1.562) 2.461 3.046 ( -2.654 0.000 -0.201) 2.662 3.272 ( -0.391 0.000 3.597) 3.618 3.295 ( -1.295 0.000 1.294) 1.831 4.900 ( -2.516 0.000 3.451) 4.271 4.930 ( -4.172 0.000 0.593) 4.214 5.240 ( 4.371 0.000 7.662) 8.821 5.331 ( 14.848 0.000 11.603) 18.844 5.336 ( 0.456 0.000 -1.296) 1.374 5.471 ( 14.309 0.000 -2.330) 14.497 6.039 ( 2.253 0.000 -1.749) 2.852 6.116 ( 6.480 0.000 -2.964) 7.126 6.116 ( 8.133 0.000 2.135) 8.408 6.184 ( 3.287 0.000 -0.562) 3.335 6.230 ( -0.469 0.000 -6.344) 6.362 6.268 ( -13.699 0.000 5.438) 14.739 6.339 ( -3.974 0.000 7.937) 8.876 6.465 ( -14.158 0.000 7.730) 16.130 6.508 ( 1.682 0.000 6.899) 7.101 6.619 ( -0.830 0.000 8.581) 8.621 6.634 ( -13.000 0.000 -14.286) 19.315 6.676 ( -9.238 0.000 1.042) 9.296 6.819 ( -10.236 0.000 -6.781) 12.279 6.869 ( -1.933 0.000 -4.891) 5.260 6.958 ( 7.278 0.000 -3.558) 8.101 7.032 ( 2.802 0.000 1.445) 3.153 7.049 ( 1.908 0.000 -9.986) 10.166 7.098 ( 3.305 0.000 0.963) 3.443 7.298 ( -4.114 0.000 2.591) 4.862 7.339 ( 15.562 0.000 13.151) 20.375 7.432 ( -6.819 0.000 -6.091) 9.143 7.667 ( 14.128 0.000 -11.877) 18.457 7.929 ( -6.754 0.000 1.257) 6.870 7.958 ( -9.717 0.000 1.503) 9.833 7.997 ( -10.373 0.000 2.319) 10.629 8.228 ( -10.803 0.000 -0.108) 10.803 8.260 ( 1.402 0.000 4.742) 4.945 8.362 ( -4.133 0.000 8.160) 9.147 8.387 ( -2.873 0.000 -1.150) 3.095 8.476 ( 5.857 0.000 2.172) 6.247 8.547 ( -3.045 0.000 0.301) 3.060 8.567 ( 6.249 0.000 5.382) 8.247 8.582 ( -0.049 0.000 2.629) 2.630 8.602 ( 0.399 0.000 2.920) 2.948 8.608 ( 4.790 0.000 0.805) 4.857 8.675 ( 2.618 0.000 12.137) 12.416 8.717 ( 7.311 0.000 0.083) 7.312 8.836 ( -4.673 0.000 7.731) 9.034 8.873 ( 2.495 0.000 -5.235) 5.799 8.912 ( -3.757 0.000 8.073) 8.905 8.996 ( -3.419 0.000 -2.511) 4.242 9.005 ( -5.027 0.000 -4.868) 6.997 9.114 ( 11.762 0.000 8.431) 14.471 9.208 ( 9.440 0.000 3.675) 10.130 9.393 ( -2.614 0.000 4.572) 5.267 9.435 ( -0.371 0.000 2.628) 2.654 9.462 ( 4.222 0.000 7.121) 8.279 9.490 ( 6.378 0.000 1.023) 6.460 9.528 ( 1.562 0.000 -1.070) 1.893 9.574 ( 4.820 0.000 -1.659) 5.098 9.597 ( 0.433 0.000 27.553) 27.557 9.672 ( 1.193 0.000 20.347) 20.382 9.745 ( -4.986 0.000 5.628) 7.519 9.815 ( -4.080 0.000 -1.842) 4.477 9.818 ( 0.802 0.000 5.365) 5.425 9.889 ( 0.869 0.000 1.692) 1.902 10.023 ( 0.815 0.000 -8.830) 8.868 10.051 ( 1.761 0.000 -1.822) 2.533 10.106 ( 6.669 0.000 6.696) 9.450 10.106 ( -2.699 0.000 -5.661) 6.272 10.171 ( -0.453 0.000 -2.956) 2.990 10.177 ( 2.896 0.000 3.255) 4.356 10.199 ( 3.014 0.000 -2.049) 3.645 10.359 ( -1.698 0.000 -1.803) 2.477 10.391 ( -0.121 0.000 6.401) 6.403 10.393 ( 0.235 0.000 -4.433) 4.439 10.443 ( 1.373 0.000 -0.929) 1.658 10.538 ( -3.455 0.000 4.300) 5.516 10.598 ( 0.679 0.000 -0.041) 0.681 10.643 ( -0.980 0.000 1.970) 2.200 10.650 ( -0.004 0.000 3.349) 3.349 10.722 ( 0.711 0.000 8.858) 8.886 10.726 ( -5.964 0.000 -16.922) 17.943 10.905 ( -4.129 0.000 -3.494) 5.409 10.943 ( -6.948 0.000 5.755) 9.022 10.962 ( -2.310 0.000 -0.309) 2.331 10.974 ( 1.076 0.000 -4.038) 4.179 11.103 ( -0.450 0.000 0.480) 0.657 11.118 ( -0.520 0.000 -0.663) 0.843 11.152 ( 0.707 0.000 -3.306) 3.381 11.192 ( -4.579 0.000 -1.116) 4.713 11.198 ( -7.363 0.000 -6.218) 9.637 11.265 ( 3.983 0.000 -4.352) 5.899 11.366 ( -0.587 0.000 1.370) 1.491 11.412 ( 1.265 0.000 -6.015) 6.146 11.439 ( 0.416 0.000 3.969) 3.991 11.505 ( 0.991 0.000 -1.149) 1.517 11.519 ( 2.666 0.000 -0.187) 2.672 11.543 ( 3.469 0.000 -4.663) 5.812 11.598 ( 2.501 0.000 -1.639) 2.990 11.629 ( 5.108 0.000 -5.424) 7.451 11.721 ( 7.794 0.000 -2.318) 8.131 11.856 ( -7.150 0.000 10.219) 12.472 12.042 ( -2.030 0.000 3.118) 3.721 12.126 ( -7.957 0.000 2.395) 8.310 12.126 ( -4.523 0.000 -3.924) 5.988 12.141 ( -0.632 0.000 0.502) 0.808 12.157 ( 4.698 0.000 4.265) 6.345 12.161 ( -2.167 0.000 -1.015) 2.393 12.280 ( 2.609 0.000 2.328) 3.497 12.330 ( 4.189 0.000 0.133) 4.192 12.353 ( 0.073 0.000 0.003) 0.073 12.355 ( 0.165 0.000 -0.913) 0.928 12.386 ( -0.643 0.000 1.488) 1.621 12.449 ( 3.863 0.000 -1.984) 4.342 12.505 ( 2.824 0.000 1.798) 3.348 12.511 ( 0.151 0.000 -4.440) 4.443 12.583 ( 4.933 0.000 0.324) 4.944 12.611 ( -3.698 0.000 6.150) 7.176 12.642 ( -0.315 0.000 -0.082) 0.326 12.788 ( 5.560 0.000 5.623) 7.908 12.846 ( 3.072 0.000 2.494) 3.957 12.853 ( 5.684 0.000 1.007) 5.772 13.017 ( -0.228 0.000 -4.714) 4.720 13.089 ( -1.025 0.000 1.449) 1.775 13.104 ( -1.347 0.000 1.070) 1.720 13.109 ( -0.886 0.000 8.878) 8.922 13.189 ( -8.342 0.000 3.608) 9.089 13.223 ( -7.395 0.000 3.091) 8.016 13.276 ( -0.497 0.000 2.649) 2.695 13.287 ( -1.041 0.000 1.769) 2.052 13.296 ( -7.090 0.000 1.844) 7.326 13.383 ( -1.439 0.000 11.602) 11.691 13.423 ( -3.460 0.000 9.176) 9.807 13.425 ( -0.542 0.000 9.484) 9.499 13.478 ( -1.154 0.000 10.373) 10.437 13.543 ( 4.974 0.000 6.638) 8.295 13.573 ( 2.899 0.000 0.386) 2.925 13.621 ( 3.908 0.000 5.034) 6.373 13.663 ( 1.844 0.000 9.471) 9.649 13.678 ( -1.528 0.000 -7.671) 7.822 13.734 ( 1.537 0.000 -4.695) 4.940 13.753 ( -0.481 0.000 -5.033) 5.056 13.865 ( -2.506 0.000 -2.368) 3.448 13.914 ( 3.100 0.000 -8.522) 9.069 13.973 ( 4.108 0.000 -3.685) 5.519 13.998 ( 1.007 0.000 4.608) 4.717 14.071 ( 0.756 0.000 0.533) 0.925 14.072 ( 0.733 0.000 -2.348) 2.460 14.082 ( -4.146 0.000 -1.941) 4.578 14.187 ( 3.703 0.000 1.473) 3.985 14.206 ( -0.993 0.000 -0.381) 1.063 14.255 ( 1.426 0.000 -0.679) 1.579 14.299 ( 1.595 0.000 -0.050) 1.596 14.324 ( -5.865 0.000 -0.988) 5.947 14.448 ( 1.867 0.000 -0.207) 1.878 14.737 ( -5.700 0.000 0.182) 5.703 14.789 ( 0.630 0.000 2.050) 2.145 14.815 ( -1.042 0.000 1.028) 1.463 14.851 ( -0.580 0.000 3.487) 3.535 14.933 ( 0.886 0.000 -1.028) 1.357 14.971 ( 6.613 0.000 -4.655) 8.087 15.006 ( -0.912 0.000 -3.643) 3.755 15.069 ( 6.378 0.000 -1.708) 6.603 15.371 ( 0.037 0.000 -1.853) 1.854 15.471 ( 0.084 0.000 -1.360) 1.363 15.510 ( -0.871 0.000 -6.671) 6.727 15.564 ( 0.653 0.000 4.067) 4.119 15.584 ( -1.753 0.000 8.817) 8.989 15.612 ( -7.398 0.000 5.945) 9.491 15.645 ( 4.178 0.000 -1.242) 4.359 15.707 ( 5.430 0.000 -3.483) 6.451 15.710 ( -1.370 0.000 -2.838) 3.151 15.876 ( -4.728 0.000 -9.374) 10.499 16.018 ( 0.053 0.000 -0.952) 0.954 16.047 ( 9.754 0.000 1.545) 9.876 16.061 ( 0.099 0.000 -1.396) 1.400 16.202 ( 4.331 0.000 -1.480) 4.576 16.286 ( 1.152 0.000 -4.997) 5.128 16.325 ( -1.282 0.000 -0.785) 1.503 16.381 ( -6.227 0.000 6.165) 8.762 16.387 ( -5.293 0.000 9.497) 10.872 16.589 ( -9.858 0.000 5.829) 11.452 16.631 ( -6.171 0.000 5.218) 8.081 16.831 ( -2.165 0.000 -10.010) 10.242 16.869 ( 0.337 0.000 -6.978) 6.987 16.904 ( 1.094 0.000 -10.129) 10.188 16.970 ( -1.918 0.000 -4.002) 4.438 16.981 ( -0.500 0.000 -6.484) 6.504 17.027 ( -0.626 0.000 -6.539) 6.568 17.074 ( 1.673 0.000 -9.422) 9.569 17.132 ( -0.359 0.000 -6.243) 6.253 17.317 ( 5.959 0.000 -2.314) 6.392 17.368 ( 8.579 0.000 -6.032) 10.488 17.480 ( -3.693 0.000 -3.197) 4.885 17.553 ( -1.377 0.000 -3.407) 3.675 17.651 ( 2.554 0.000 -1.571) 2.998 17.799 ( 7.665 0.000 -7.736) 10.890 17.857 ( -7.031 0.000 -3.730) 7.959 18.005 ( 3.246 0.000 -1.544) 3.595 18.066 ( -3.308 0.000 -6.553) 7.341 18.228 ( 8.826 0.000 -5.339) 10.315 18.251 ( -7.830 0.000 -0.127) 7.831 18.428 ( 4.022 0.000 -3.980) 5.658 18.556 ( -5.193 0.000 -2.070) 5.590 18.571 ( -0.534 0.000 -2.449) 2.507 18.583 ( 2.163 0.000 -2.616) 3.394 18.646 ( -2.374 0.000 -4.821) 5.374 18.846 ( 2.621 0.000 -1.949) 3.266 18.869 ( 4.456 0.000 -2.105) 4.928 18.987 ( -2.166 0.000 -0.004) 2.166 19.024 ( -2.404 0.000 -3.530) 4.271 19.028 ( -1.275 0.000 -2.293) 2.623 19.066 ( -1.287 0.000 -1.697) 2.130 19.182 ( 0.213 0.000 -0.692) 0.724 19.281 ( -4.033 0.000 -9.492) 10.313 19.339 ( 2.690 0.000 -3.004) 4.032 19.380 ( 4.862 0.000 -3.886) 6.224 19.483 ( -3.023 0.000 -2.699) 4.052 19.506 ( -1.071 0.000 -3.652) 3.806 ======================= Grid point 127 (33/36) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -3.777 0.000 3.891) 5.423 1.413 ( 3.777 0.000 3.891) 5.423 1.595 ( -2.446 0.000 1.997) 3.158 1.595 ( 2.446 0.000 1.997) 3.158 1.687 ( -1.437 0.000 -3.129) 3.443 1.687 ( 1.437 0.000 -3.129) 3.443 1.752 ( -3.508 0.000 -1.628) 3.868 1.752 ( 3.508 0.000 -1.628) 3.868 2.095 ( -7.810 0.000 -0.211) 7.813 2.095 ( 7.810 0.000 -0.211) 7.813 2.131 ( -11.511 0.000 -0.072) 11.511 2.131 ( 11.511 0.000 -0.072) 11.511 2.329 ( -4.732 0.000 -0.461) 4.754 2.329 ( 4.732 0.000 -0.461) 4.754 2.531 ( -1.693 0.000 -0.303) 1.720 2.531 ( 1.693 0.000 -0.303) 1.720 2.851 ( -2.667 0.000 2.362) 3.563 2.851 ( 2.667 0.000 2.362) 3.563 2.867 ( -1.259 0.000 2.004) 2.367 2.867 ( 1.259 0.000 2.004) 2.367 3.003 ( -0.552 0.000 0.376) 0.668 3.003 ( 0.552 0.000 0.376) 0.668 3.274 ( -0.662 0.000 2.746) 2.825 3.274 ( 0.662 0.000 2.746) 2.825 4.879 ( -0.753 0.000 2.255) 2.377 4.879 ( 0.753 0.000 2.255) 2.377 5.312 ( -2.893 0.000 2.979) 4.153 5.312 ( 2.893 0.000 2.979) 4.153 5.638 ( -9.365 0.000 7.311) 11.881 5.638 ( 9.365 0.000 7.311) 11.881 6.066 ( -8.702 0.000 7.797) 11.684 6.066 ( 8.702 0.000 7.797) 11.684 6.104 ( -4.660 0.000 -3.421) 5.780 6.104 ( 4.660 0.000 -3.421) 5.780 6.292 ( -4.508 0.000 2.840) 5.328 6.292 ( 4.508 0.000 2.840) 5.328 6.300 ( -8.527 0.000 -4.777) 9.774 6.300 ( 8.527 0.000 -4.777) 9.774 6.502 ( -4.484 0.000 4.657) 6.465 6.502 ( 4.484 0.000 4.657) 6.465 6.621 ( -8.851 0.000 -7.727) 11.750 6.621 ( 8.851 0.000 -7.727) 11.750 6.731 ( -9.503 0.000 -3.212) 10.031 6.731 ( 9.503 0.000 -3.212) 10.031 7.074 ( -2.516 0.000 -3.366) 4.203 7.074 ( 2.516 0.000 -3.366) 4.203 7.093 ( -2.828 0.000 1.773) 3.338 7.093 ( 2.828 0.000 1.773) 3.338 7.297 ( -5.452 0.000 -3.789) 6.639 7.297 ( 5.452 0.000 -3.789) 6.639 7.650 ( -16.255 0.000 6.785) 17.615 7.650 ( 16.255 0.000 6.785) 17.615 7.871 ( -0.443 0.000 0.523) 0.686 7.871 ( 0.443 0.000 0.523) 0.686 7.995 ( -11.825 0.000 -4.525) 12.661 7.995 ( 11.825 0.000 -4.525) 12.661 8.254 ( -2.888 0.000 6.531) 7.141 8.254 ( 2.888 0.000 6.531) 7.141 8.475 ( -4.693 0.000 -1.142) 4.830 8.475 ( 4.693 0.000 -1.142) 4.830 8.574 ( -3.237 0.000 1.860) 3.733 8.574 ( 3.237 0.000 1.860) 3.733 8.594 ( -0.826 0.000 4.782) 4.852 8.594 ( 0.826 0.000 4.782) 4.852 8.740 ( -5.737 0.000 6.912) 8.983 8.740 ( 5.737 0.000 6.912) 8.983 8.741 ( -4.642 0.000 9.553) 10.621 8.741 ( 4.642 0.000 9.553) 10.621 8.916 ( -4.511 0.000 -1.957) 4.917 8.916 ( 4.511 0.000 -1.957) 4.917 8.931 ( -3.292 0.000 -5.718) 6.598 8.931 ( 3.292 0.000 -5.718) 6.598 9.301 ( -7.124 0.000 8.752) 11.285 9.301 ( 7.124 0.000 8.752) 11.285 9.358 ( -6.344 0.000 2.214) 6.719 9.358 ( 6.344 0.000 2.214) 6.719 9.526 ( -2.383 0.000 14.636) 14.829 9.526 ( 2.383 0.000 14.636) 14.828 9.620 ( -5.781 0.000 3.420) 6.717 9.620 ( 5.781 0.000 3.420) 6.717 9.653 ( -4.245 0.000 9.812) 10.691 9.653 ( 4.245 0.000 9.812) 10.691 9.714 ( -5.812 0.000 -0.734) 5.858 9.714 ( 5.812 0.000 -0.734) 5.858 9.853 ( -2.920 0.000 2.958) 4.156 9.853 ( 2.920 0.000 2.958) 4.156 10.039 ( -0.995 0.000 -8.191) 8.251 10.039 ( 0.995 0.000 -8.191) 8.251 10.142 ( -3.277 0.000 1.085) 3.451 10.142 ( 3.277 0.000 1.085) 3.451 10.208 ( -2.971 0.000 2.656) 3.986 10.208 ( 2.971 0.000 2.656) 3.986 10.279 ( -5.658 0.000 3.380) 6.591 10.279 ( 5.658 0.000 3.380) 6.591 10.422 ( -3.344 0.000 -4.765) 5.821 10.422 ( 3.344 0.000 -4.765) 5.821 10.441 ( -5.417 0.000 7.111) 8.939 10.441 ( 5.417 0.000 7.111) 8.939 10.600 ( -5.187 0.000 -10.920) 12.089 10.600 ( 5.187 0.000 -10.920) 12.089 10.690 ( -3.334 0.000 0.258) 3.344 10.690 ( 3.334 0.000 0.258) 3.344 10.770 ( -9.690 0.000 8.038) 12.590 10.770 ( 9.690 0.000 8.038) 12.590 10.897 ( -3.262 0.000 3.934) 5.111 10.897 ( 3.262 0.000 3.934) 5.111 11.056 ( -6.713 0.000 -10.853) 12.762 11.056 ( 6.713 0.000 -10.853) 12.762 11.096 ( -0.538 0.000 -2.207) 2.272 11.096 ( 0.538 0.000 -2.207) 2.272 11.159 ( -0.430 0.000 -3.483) 3.509 11.159 ( 0.430 0.000 -3.483) 3.509 11.340 ( -2.813 0.000 -1.365) 3.127 11.340 ( 2.813 0.000 -1.365) 3.127 11.441 ( -1.092 0.000 0.964) 1.456 11.441 ( 1.092 0.000 0.963) 1.456 11.533 ( -1.243 0.000 -0.001) 1.243 11.533 ( 1.243 0.000 -0.001) 1.243 11.594 ( -1.994 0.000 -3.850) 4.336 11.594 ( 1.994 0.000 -3.850) 4.336 11.727 ( -5.758 0.000 0.149) 5.760 11.727 ( 5.758 0.000 0.149) 5.760 11.922 ( -11.660 0.000 2.488) 11.923 11.922 ( 11.660 0.000 2.488) 11.923 12.049 ( -2.724 0.000 1.778) 3.253 12.049 ( 2.724 0.000 1.778) 3.253 12.140 ( -0.468 0.000 -0.051) 0.471 12.140 ( 0.468 0.000 -0.051) 0.471 12.276 ( -5.781 0.000 2.320) 6.229 12.276 ( 5.781 0.000 2.320) 6.229 12.326 ( -2.283 0.000 1.955) 3.005 12.326 ( 2.283 0.000 1.955) 3.005 12.422 ( -2.080 0.000 -0.282) 2.099 12.422 ( 2.080 0.000 -0.282) 2.099 12.504 ( -1.354 0.000 -4.298) 4.507 12.504 ( 1.354 0.000 -4.298) 4.507 12.519 ( -2.098 0.000 3.849) 4.383 12.519 ( 2.098 0.000 3.849) 4.383 12.632 ( -0.767 0.000 -0.224) 0.799 12.632 ( 0.767 0.000 -0.224) 0.799 12.900 ( -1.940 0.000 0.694) 2.061 12.900 ( 1.940 0.000 0.694) 2.061 13.005 ( -7.917 0.000 2.127) 8.197 13.005 ( 7.917 0.000 2.127) 8.197 13.050 ( -1.578 0.000 5.118) 5.356 13.050 ( 1.578 0.000 5.118) 5.356 13.064 ( -4.217 0.000 3.277) 5.341 13.064 ( 4.217 0.000 3.277) 5.341 13.181 ( -4.846 0.000 -0.991) 4.947 13.181 ( 4.846 0.000 -0.991) 4.947 13.272 ( -0.243 0.000 2.765) 2.776 13.272 ( 0.243 0.000 2.765) 2.776 13.374 ( -1.033 0.000 11.289) 11.337 13.374 ( 1.033 0.000 11.289) 11.337 13.440 ( -2.172 0.000 7.891) 8.185 13.440 ( 2.172 0.000 7.891) 8.185 13.624 ( -2.548 0.000 9.585) 9.918 13.624 ( 2.548 0.000 9.585) 9.918 13.630 ( -2.942 0.000 -2.429) 3.816 13.630 ( 2.942 0.000 -2.429) 3.816 13.721 ( -2.839 0.000 1.041) 3.024 13.721 ( 2.839 0.000 1.041) 3.024 13.796 ( -3.907 0.000 -4.217) 5.749 13.796 ( 3.907 0.000 -4.217) 5.749 13.956 ( -3.009 0.000 -4.695) 5.577 13.956 ( 3.009 0.000 -4.695) 5.577 14.053 ( -3.185 0.000 -1.677) 3.599 14.053 ( 3.185 0.000 -1.677) 3.599 14.101 ( -1.151 0.000 -2.030) 2.334 14.101 ( 1.151 0.000 -2.030) 2.334 14.227 ( -3.652 0.000 0.500) 3.686 14.227 ( 3.652 0.000 0.500) 3.686 14.251 ( -2.240 0.000 1.593) 2.749 14.251 ( 2.240 0.000 1.593) 2.749 14.360 ( -7.282 0.000 -1.439) 7.422 14.360 ( 7.282 0.000 -1.439) 7.422 14.754 ( -5.039 0.000 3.508) 6.139 14.754 ( 5.039 0.000 3.508) 6.139 14.814 ( -2.107 0.000 1.468) 2.568 14.814 ( 2.107 0.000 1.468) 2.568 14.972 ( -2.578 0.000 -1.120) 2.811 14.972 ( 2.578 0.000 -1.120) 2.811 15.101 ( -4.379 0.000 -4.374) 6.189 15.101 ( 4.379 0.000 -4.374) 6.189 15.437 ( -7.221 0.000 -1.748) 7.430 15.437 ( 7.221 0.000 -1.748) 7.430 15.517 ( -4.135 0.000 1.557) 4.418 15.517 ( 4.135 0.000 1.557) 4.418 15.544 ( -3.552 0.000 0.758) 3.632 15.544 ( 3.552 0.000 0.758) 3.632 15.703 ( -1.169 0.000 -3.044) 3.261 15.703 ( 1.169 0.000 -3.044) 3.261 15.784 ( -4.646 0.000 -2.713) 5.380 15.784 ( 4.646 0.000 -2.713) 5.380 16.042 ( -4.190 0.000 -1.273) 4.379 16.042 ( 4.190 0.000 -1.273) 4.379 16.242 ( -8.518 0.000 5.463) 10.120 16.242 ( 8.518 0.000 5.463) 10.120 16.243 ( -4.835 0.000 3.189) 5.792 16.243 ( 4.835 0.000 3.189) 5.792 16.384 ( -7.437 0.000 -0.160) 7.438 16.384 ( 7.437 0.000 -0.160) 7.438 16.469 ( -10.418 0.000 -2.366) 10.683 16.469 ( 10.418 0.000 -2.366) 10.683 16.847 ( -2.312 0.000 -6.979) 7.352 16.847 ( 2.312 0.000 -6.979) 7.352 16.961 ( -4.145 0.000 -9.135) 10.031 16.961 ( 4.145 0.000 -9.135) 10.031 16.964 ( -0.993 0.000 -4.313) 4.425 16.964 ( 0.993 0.000 -4.313) 4.425 17.116 ( -1.665 0.000 -6.069) 6.293 17.116 ( 1.665 0.000 -6.069) 6.293 17.419 ( -3.905 0.000 -2.353) 4.559 17.419 ( 3.905 0.000 -2.353) 4.559 17.498 ( -4.803 0.000 -4.263) 6.423 17.498 ( 4.803 0.000 -4.263) 6.423 17.722 ( -5.418 0.000 -2.541) 5.984 17.722 ( 5.418 0.000 -2.541) 5.984 17.965 ( -7.434 0.000 -6.778) 10.060 17.965 ( 7.434 0.000 -6.778) 10.060 18.102 ( -6.931 0.000 -1.070) 7.013 18.102 ( 6.931 0.000 -1.070) 7.013 18.400 ( -9.368 0.000 -5.246) 10.737 18.400 ( 9.368 0.000 -5.246) 10.737 18.518 ( -4.515 0.000 -2.688) 5.255 18.518 ( 4.515 0.000 -2.688) 5.255 18.619 ( -1.341 0.000 -2.290) 2.654 18.619 ( 1.341 0.000 -2.290) 2.654 18.917 ( -4.455 0.000 -2.736) 5.228 18.917 ( 4.455 0.000 -2.736) 5.228 18.958 ( -4.368 0.000 -3.053) 5.329 18.958 ( 4.368 0.000 -3.053) 5.329 19.036 ( -1.620 0.000 0.676) 1.756 19.036 ( 1.620 0.000 0.676) 1.756 19.210 ( -2.846 0.000 -5.415) 6.118 19.210 ( 2.846 0.000 -5.415) 6.118 19.409 ( -4.284 0.000 -2.815) 5.126 19.409 ( 4.284 0.000 -2.815) 5.126 19.463 ( -3.489 0.000 -4.061) 5.354 19.463 ( 3.489 0.000 -4.061) 5.354 ======================= Grid point 131 (34/36) ======================= q-point: ( 0.25 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 2.089 2.089 9.172) 9.636 1.471 ( 0.992 0.992 4.264) 4.489 1.591 ( 1.379 1.379 -2.851) 3.454 1.610 ( 0.892 0.892 -2.822) 3.092 1.646 ( 3.109 3.109 0.841) 4.476 1.703 ( 2.324 2.324 -2.330) 4.029 1.748 ( 0.840 0.840 -2.570) 2.831 1.749 ( 0.990 0.990 -2.296) 2.689 1.949 ( 4.229 4.229 3.814) 7.093 2.027 ( 6.797 6.797 -4.063) 10.436 2.192 ( -2.241 -2.241 3.020) 4.378 2.248 ( -1.774 -1.774 -2.568) 3.590 2.312 ( -3.196 -3.196 1.387) 4.728 2.353 ( -2.940 -2.940 -2.748) 4.984 2.504 ( -0.561 -0.561 2.606) 2.724 2.557 ( -1.786 -1.786 -2.841) 3.802 2.825 ( 1.831 1.831 2.669) 3.719 2.826 ( 1.789 1.789 2.400) 3.487 2.871 ( -0.856 -0.856 2.293) 2.593 2.876 ( -0.978 -0.978 1.813) 2.280 3.013 ( -1.708 -1.708 1.029) 2.626 3.023 ( -2.257 -2.257 -0.118) 3.194 3.260 ( -0.974 -0.974 3.470) 3.734 3.275 ( -1.624 -1.624 1.829) 2.936 4.894 ( -0.789 -0.789 2.994) 3.195 4.911 ( -1.747 -1.747 1.384) 2.832 5.335 ( 7.431 7.431 7.764) 13.066 5.396 ( 8.047 8.047 9.457) 14.796 5.428 ( 6.507 6.507 0.074) 9.202 5.520 ( 7.416 7.416 -1.399) 10.580 6.069 ( -3.015 -3.015 8.010) 9.075 6.123 ( 3.564 3.564 -3.046) 5.889 6.156 ( -4.298 -4.298 3.359) 6.944 6.168 ( 2.515 2.515 -2.375) 4.277 6.236 ( 0.515 0.515 -2.279) 2.392 6.266 ( 1.224 1.224 -5.874) 6.124 6.370 ( 1.745 1.745 6.864) 7.294 6.463 ( -0.009 -0.009 5.139) 5.140 6.465 ( -4.598 -4.598 9.309) 11.355 6.504 ( -2.540 -2.540 4.135) 5.478 6.624 ( -3.944 -3.944 -5.363) 7.737 6.698 ( -1.353 -1.353 -0.162) 1.921 6.764 ( -7.834 -7.834 -5.008) 12.158 6.833 ( -4.905 -4.905 -7.359) 10.113 6.884 ( -0.456 -0.456 -6.372) 6.405 6.906 ( -1.072 -1.072 -7.959) 8.102 7.093 ( 0.483 0.483 0.633) 0.931 7.102 ( -0.408 -0.408 -0.663) 0.879 7.227 ( -5.722 -5.722 2.547) 8.484 7.293 ( -9.215 -9.215 -4.769) 13.877 7.528 ( 11.621 11.621 11.679) 20.162 7.768 ( 8.822 8.822 -12.536) 17.686 7.871 ( -4.996 -4.996 2.231) 7.409 7.881 ( -5.200 -5.200 0.768) 7.394 7.937 ( -7.784 -7.784 8.564) 13.948 8.103 ( -5.364 -5.364 -8.191) 11.165 8.333 ( -3.880 -3.880 2.470) 6.017 8.363 ( -3.873 -3.873 -2.322) 5.949 8.372 ( 0.722 0.722 7.648) 7.716 8.432 ( 2.439 2.439 12.223) 12.700 8.478 ( 0.982 0.982 -2.134) 2.546 8.593 ( 3.544 3.544 -5.118) 7.163 8.609 ( -0.398 -0.398 7.963) 7.983 8.642 ( 2.293 2.293 7.488) 8.160 8.682 ( 3.506 3.506 1.661) 5.229 8.732 ( 3.533 3.533 5.952) 7.771 8.762 ( 5.155 5.155 6.613) 9.843 8.856 ( -2.947 -2.947 8.803) 9.739 8.919 ( 1.215 1.215 6.166) 6.401 8.922 ( 2.788 2.788 -1.898) 4.376 8.943 ( -1.698 -1.698 -3.289) 4.072 9.044 ( 2.840 2.840 -2.104) 4.534 9.089 ( 0.484 0.484 4.022) 4.080 9.204 ( -1.856 -1.856 1.045) 2.825 9.383 ( -0.226 -0.226 2.948) 2.965 9.452 ( -1.217 -1.217 -1.129) 2.058 9.480 ( 4.490 4.490 10.029) 11.870 9.569 ( 3.373 3.373 8.823) 10.029 9.573 ( 3.377 3.377 -1.349) 4.963 9.582 ( -0.436 -0.436 26.577) 26.584 9.594 ( 6.076 6.076 -0.009) 8.593 9.711 ( 2.717 2.717 13.429) 13.968 9.763 ( -0.364 -0.364 9.632) 9.646 9.778 ( -2.716 -2.716 -0.684) 3.901 9.858 ( 2.036 2.036 6.597) 7.198 9.909 ( 1.082 1.082 -0.720) 1.690 10.016 ( -0.079 -0.079 -2.120) 2.123 10.061 ( 1.953 1.953 -8.263) 8.712 10.105 ( -2.792 -2.792 -0.786) 4.026 10.133 ( -0.676 -0.676 -14.212) 14.244 10.148 ( 2.451 2.451 4.108) 5.375 10.177 ( -0.096 -0.096 0.048) 0.144 10.190 ( 2.343 2.343 8.231) 8.872 10.334 ( -3.015 -3.015 7.604) 8.718 10.399 ( 0.137 0.137 -5.571) 5.574 10.422 ( -0.779 -0.779 2.260) 2.514 10.431 ( 1.653 1.653 -7.547) 7.901 10.550 ( -2.471 -2.471 9.353) 9.985 10.573 ( -2.068 -2.068 -0.277) 2.937 10.581 ( -1.323 -1.323 -9.885) 10.061 10.608 ( -0.405 -0.405 4.754) 4.788 10.735 ( -1.035 -1.035 -8.568) 8.692 10.754 ( 0.614 0.614 9.673) 9.712 10.857 ( -6.216 -6.216 3.206) 9.357 10.884 ( -3.464 -3.464 -6.817) 8.395 10.936 ( -3.219 -3.219 -0.663) 4.601 10.956 ( 2.434 2.434 2.168) 4.068 11.133 ( -0.078 -0.078 -5.648) 5.649 11.140 ( 0.907 0.907 -1.636) 2.079 11.152 ( 1.395 1.395 -7.206) 7.471 11.197 ( -1.554 -1.554 6.145) 6.526 11.198 ( 1.259 1.259 1.057) 2.071 11.303 ( 2.525 2.525 -7.634) 8.428 11.361 ( 0.397 0.397 5.132) 5.163 11.367 ( -1.503 -1.503 -11.849) 12.038 11.470 ( -0.923 -0.923 -7.560) 7.672 11.472 ( 0.583 0.583 4.645) 4.717 11.530 ( 0.296 0.296 1.383) 1.445 11.572 ( 1.413 1.413 -1.820) 2.703 11.595 ( -1.063 -1.063 -6.808) 6.972 11.656 ( 3.139 3.139 5.068) 6.737 11.750 ( 4.288 4.288 -4.944) 7.824 11.827 ( -3.819 -3.819 10.713) 11.997 12.024 ( -3.413 -3.413 -8.529) 9.800 12.055 ( -3.240 -3.240 6.808) 8.206 12.114 ( 0.562 0.562 3.782) 3.864 12.130 ( -2.953 -2.953 -1.615) 4.477 12.179 ( 0.085 0.085 4.485) 4.486 12.190 ( 3.583 3.583 -2.774) 5.777 12.246 ( 0.841 0.841 -2.479) 2.750 12.314 ( 0.076 0.076 3.436) 3.437 12.356 ( -0.498 -0.498 -0.207) 0.734 12.404 ( 2.023 2.023 3.966) 4.891 12.450 ( 2.007 2.007 5.801) 6.458 12.459 ( 0.051 0.051 0.527) 0.532 12.533 ( -0.691 -0.691 1.522) 1.809 12.535 ( 2.281 2.281 -6.242) 7.026 12.557 ( 3.216 3.216 -3.170) 5.544 12.596 ( -0.051 -0.051 5.817) 5.817 12.697 ( 1.456 1.456 -3.046) 3.677 12.820 ( 3.985 3.985 4.887) 7.460 12.857 ( 2.392 2.392 -0.021) 3.383 12.878 ( 2.511 2.511 6.551) 7.452 13.040 ( 1.984 1.984 -8.337) 8.796 13.057 ( -2.029 -2.029 4.684) 5.493 13.077 ( -2.033 -2.033 1.055) 3.062 13.115 ( -0.463 -0.463 5.230) 5.271 13.171 ( -6.154 -6.154 2.036) 8.938 13.184 ( -3.809 -3.809 3.577) 6.467 13.203 ( -4.646 -4.646 3.301) 7.353 13.225 ( -4.182 -4.182 1.531) 6.110 13.225 ( -4.572 -4.572 -1.841) 6.722 13.352 ( -0.040 -0.040 14.341) 14.341 13.428 ( -0.427 -0.427 9.215) 9.235 13.452 ( -0.720 -0.720 12.890) 12.930 13.505 ( 0.447 0.447 12.433) 12.449 13.538 ( 1.750 1.750 3.823) 4.554 13.570 ( 1.172 1.172 5.235) 5.492 13.654 ( 2.102 2.102 -2.746) 4.046 13.689 ( 1.973 1.973 11.542) 11.875 13.690 ( -0.412 -0.412 -10.035) 10.052 13.718 ( 0.482 0.482 1.274) 1.445 13.793 ( 2.937 2.937 -5.023) 6.518 13.901 ( 0.999 0.999 1.512) 2.069 13.918 ( 1.170 1.170 -9.492) 9.635 13.987 ( 2.201 2.201 -6.311) 7.037 13.999 ( -0.320 -0.320 2.100) 2.148 14.073 ( 1.699 1.699 0.693) 2.501 14.087 ( -0.286 -0.286 -6.294) 6.307 14.117 ( 0.320 0.320 -1.877) 1.930 14.128 ( -0.586 -0.586 2.163) 2.316 14.158 ( -1.519 -1.519 -1.559) 2.655 14.289 ( 1.277 1.277 1.717) 2.492 14.299 ( 0.466 0.466 0.182) 0.683 14.404 ( 0.698 0.698 2.262) 2.468 14.413 ( 0.050 0.050 -1.682) 1.684 14.740 ( -2.839 -2.839 0.973) 4.131 14.742 ( -0.861 -0.861 1.138) 1.666 14.797 ( -1.062 -1.062 2.710) 3.098 14.837 ( -2.000 -2.000 -0.892) 2.966 14.910 ( 1.335 1.335 3.479) 3.959 14.972 ( -1.707 -1.707 -3.222) 4.026 15.083 ( 4.241 4.241 -1.290) 6.135 15.107 ( 4.620 4.620 -4.244) 7.792 15.369 ( 1.532 1.532 -2.961) 3.669 15.430 ( -0.910 -0.910 -8.906) 8.998 15.520 ( -3.026 -3.026 4.141) 5.955 15.527 ( -2.579 -2.579 2.381) 4.356 15.603 ( 3.492 3.492 3.557) 6.086 15.646 ( 3.826 3.826 -2.920) 6.149 15.672 ( -2.419 -2.419 5.815) 6.747 15.727 ( 4.423 4.423 0.919) 6.322 15.740 ( 2.092 2.092 -2.784) 4.062 15.908 ( 0.388 0.388 -9.737) 9.753 16.003 ( -1.175 -1.175 -1.060) 1.971 16.027 ( 1.321 1.321 -3.565) 4.025 16.088 ( -2.220 -2.220 2.965) 4.318 16.160 ( -2.775 -2.775 -4.591) 6.039 16.217 ( -10.132 -10.132 6.499) 15.733 16.294 ( 2.115 2.115 4.036) 5.024 16.337 ( -6.140 -6.140 -0.061) 8.683 16.396 ( 6.050 6.050 -4.606) 9.717 16.560 ( -3.237 -3.237 9.710) 10.735 16.637 ( -1.764 -1.764 8.397) 8.760 16.794 ( -2.137 -2.137 -13.029) 13.375 16.820 ( -3.926 -3.926 -5.696) 7.955 16.848 ( -1.643 -1.643 -7.978) 8.309 16.872 ( -4.378 -4.378 -13.683) 15.018 17.037 ( 5.175 5.175 -2.009) 7.589 17.101 ( 4.180 4.180 -7.995) 9.944 17.180 ( 2.093 2.093 -4.524) 5.406 17.181 ( 3.365 3.365 -4.352) 6.449 17.303 ( -0.027 -0.027 -1.208) 1.208 17.382 ( 2.236 2.236 -8.342) 8.921 17.451 ( -2.451 -2.451 -0.234) 3.474 17.510 ( -1.407 -1.407 -6.431) 6.732 17.732 ( 3.697 3.697 0.497) 5.252 17.823 ( 3.591 3.591 -10.087) 11.293 17.858 ( -2.515 -2.515 -1.230) 3.764 17.929 ( -1.273 -1.273 -7.802) 8.007 18.124 ( 0.489 0.489 0.660) 0.956 18.190 ( -0.727 -0.727 -3.531) 3.677 18.313 ( 1.379 1.379 -2.981) 3.563 18.359 ( -1.554 -1.554 -6.226) 6.602 18.571 ( -0.560 -0.560 -1.695) 1.871 18.579 ( 0.634 0.634 -2.607) 2.757 18.607 ( 0.867 0.867 -2.877) 3.128 18.608 ( -2.115 -2.115 -3.650) 4.719 18.887 ( 3.146 3.146 -1.776) 4.790 18.899 ( 3.428 3.428 -2.865) 5.632 18.987 ( -0.219 -0.219 0.675) 0.743 19.007 ( -1.083 -1.083 -3.181) 3.530 19.029 ( -0.947 -0.947 -3.061) 3.341 19.041 ( -1.653 -1.653 -1.457) 2.755 19.172 ( -0.512 -0.512 -1.661) 1.812 19.245 ( -3.326 -3.326 -8.021) 9.299 19.343 ( -0.008 -0.008 -1.358) 1.358 19.378 ( -0.113 -0.113 -5.099) 5.102 19.486 ( 0.488 0.488 -1.935) 2.054 19.513 ( 0.314 0.314 -5.026) 5.045 ======================= Grid point 132 (35/36) ======================= q-point: (-0.50 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -2.005 2.200 7.419) 7.994 1.455 ( 2.005 2.200 7.419) 7.994 1.607 ( -1.095 2.505 -5.377) 6.032 1.607 ( 1.095 2.505 -5.377) 6.032 1.721 ( -2.441 2.721 -0.640) 3.711 1.721 ( 2.441 2.721 -0.640) 3.711 1.756 ( -2.222 0.235 -1.107) 2.494 1.756 ( 2.222 0.235 -1.107) 2.494 2.085 ( -8.196 0.252 4.135) 9.183 2.085 ( 8.196 0.252 4.135) 9.183 2.174 ( -7.803 3.320 -3.695) 9.250 2.174 ( 7.803 3.320 -3.695) 9.250 2.291 ( -3.782 -3.600 -0.374) 5.235 2.291 ( 3.782 -3.600 -0.374) 5.235 2.513 ( -1.995 -2.278 -0.421) 3.057 2.513 ( 1.995 -2.278 -0.421) 3.057 2.851 ( -1.186 0.754 2.267) 2.668 2.851 ( 1.186 0.754 2.267) 2.668 2.870 ( -0.732 0.160 2.006) 2.141 2.870 ( 0.732 0.160 2.006) 2.141 2.987 ( -0.291 -1.667 0.315) 1.721 2.987 ( 0.291 -1.667 0.315) 1.721 3.252 ( -0.447 -1.795 2.842) 3.391 3.252 ( 0.447 -1.795 2.842) 3.391 4.886 ( -0.413 0.213 2.353) 2.398 4.886 ( 0.413 0.213 2.353) 2.398 5.423 ( -2.561 11.808 3.916) 12.701 5.423 ( 2.561 11.808 3.916) 12.701 5.658 ( -7.053 1.484 5.996) 9.375 5.658 ( 7.053 1.484 5.996) 9.375 5.965 ( -6.001 -8.369 5.206) 11.539 5.965 ( 6.001 -8.369 5.206) 11.539 6.201 ( -3.992 5.865 -1.823) 7.325 6.201 ( 3.992 5.865 -1.823) 7.325 6.277 ( -3.258 -0.715 -1.724) 3.754 6.277 ( 3.258 -0.715 -1.724) 3.754 6.375 ( -1.636 6.971 4.194) 8.298 6.375 ( 1.636 6.971 4.194) 8.298 6.513 ( -1.127 0.665 0.316) 1.346 6.513 ( 1.127 0.665 0.316) 1.346 6.606 ( -2.893 -1.732 -3.043) 4.542 6.606 ( 2.893 -1.732 -3.043) 4.542 6.715 ( -5.290 -0.973 -2.436) 5.905 6.715 ( 5.290 -0.973 -2.436) 5.905 6.950 ( -1.693 -9.133 -6.292) 11.219 6.950 ( 1.693 -9.133 -6.292) 11.219 7.051 ( -1.072 -8.166 -2.738) 8.679 7.051 ( 1.072 -8.166 -2.738) 8.679 7.180 ( -1.281 -4.405 0.636) 4.632 7.180 ( 1.281 -4.405 0.636) 4.632 7.741 ( -10.786 3.766 8.720) 14.372 7.741 ( 10.786 3.766 8.720) 14.372 7.826 ( -0.549 -3.568 1.232) 3.814 7.826 ( 0.549 -3.568 1.232) 3.814 7.958 ( -9.503 -0.897 -9.179) 13.243 7.958 ( 9.503 -0.897 -9.179) 13.243 8.277 ( -0.515 0.068 1.629) 1.709 8.277 ( 0.515 0.068 1.629) 1.709 8.442 ( -2.549 -0.774 7.347) 7.815 8.442 ( 2.549 -0.774 7.347) 7.815 8.549 ( -4.006 0.441 2.912) 4.972 8.549 ( 4.006 0.441 2.912) 4.972 8.659 ( -1.042 2.448 0.334) 2.682 8.659 ( 1.042 2.448 0.334) 2.682 8.747 ( -3.229 0.600 7.537) 8.221 8.747 ( 3.229 0.600 7.537) 8.221 8.811 ( -3.213 5.280 8.060) 10.157 8.811 ( 3.213 5.280 8.060) 10.157 8.913 ( -3.278 1.469 -0.246) 3.600 8.913 ( 3.278 1.469 -0.246) 3.600 9.016 ( -4.429 4.918 -3.191) 7.347 9.016 ( 4.429 4.918 -3.191) 7.347 9.155 ( -4.090 -7.812 7.616) 11.652 9.155 ( 4.090 -7.812 7.616) 11.652 9.405 ( -2.647 -0.725 -4.773) 5.506 9.405 ( 2.647 -0.725 -4.773) 5.506 9.557 ( -2.396 3.313 18.225) 18.678 9.557 ( 2.396 3.313 18.225) 18.678 9.643 ( -2.397 2.268 6.933) 7.678 9.643 ( 2.397 2.268 6.933) 7.678 9.682 ( -3.786 3.227 5.178) 7.181 9.682 ( 3.786 3.227 5.178) 7.181 9.748 ( -0.449 1.693 6.221) 6.463 9.748 ( 0.449 1.693 6.221) 6.463 9.891 ( -2.052 2.699 1.716) 3.800 9.891 ( 2.052 2.699 1.716) 3.800 10.034 ( -2.172 -0.916 -3.462) 4.188 10.034 ( 2.172 -0.916 -3.462) 4.188 10.123 ( -2.714 -0.645 -6.264) 6.857 10.123 ( 2.714 -0.645 -6.264) 6.857 10.182 ( -1.068 -1.325 0.761) 1.864 10.182 ( 1.068 -1.325 0.761) 1.864 10.271 ( -4.543 -0.755 5.372) 7.076 10.271 ( 4.543 -0.755 5.372) 7.076 10.384 ( -1.050 -3.896 -0.111) 4.037 10.384 ( 1.050 -3.896 -0.111) 4.037 10.480 ( -3.310 1.862 -4.521) 5.905 10.480 ( 3.310 1.862 -4.522) 5.905 10.555 ( -2.391 -0.569 -3.980) 4.678 10.555 ( 2.391 -0.569 -3.980) 4.678 10.690 ( -5.514 -2.313 7.458) 9.559 10.690 ( 5.514 -2.313 7.458) 9.560 10.751 ( -2.451 -0.948 0.516) 2.678 10.751 ( 2.451 -0.948 0.516) 2.678 10.868 ( -2.515 -3.916 -2.995) 5.535 10.868 ( 2.515 -3.916 -2.995) 5.535 11.066 ( -7.134 3.763 1.012) 8.129 11.066 ( 7.134 3.763 1.012) 8.129 11.145 ( -1.284 3.317 -5.763) 6.772 11.145 ( 1.284 3.317 -5.763) 6.772 11.201 ( -1.318 2.862 -0.318) 3.167 11.201 ( 1.318 2.862 -0.318) 3.167 11.339 ( -1.485 -0.418 -4.690) 4.937 11.339 ( 1.485 -0.418 -4.690) 4.937 11.425 ( -3.413 -0.933 -2.513) 4.340 11.425 ( 3.413 -0.933 -2.513) 4.340 11.505 ( -2.199 -3.797 -1.237) 4.559 11.505 ( 2.199 -3.797 -1.237) 4.559 11.581 ( -0.250 -0.208 -1.334) 1.373 11.581 ( 0.250 -0.208 -1.334) 1.373 11.734 ( -4.792 0.305 5.038) 6.959 11.734 ( 4.792 0.305 5.038) 6.959 11.890 ( -9.153 -0.261 -1.431) 9.268 11.890 ( 9.153 -0.261 -1.431) 9.268 12.058 ( -3.183 -3.603 -1.946) 5.186 12.058 ( 3.183 -3.603 -1.946) 5.186 12.154 ( -1.852 3.452 4.146) 5.704 12.154 ( 1.852 3.452 4.146) 5.704 12.282 ( -2.032 0.045 0.112) 2.036 12.282 ( 2.032 0.045 0.112) 2.036 12.305 ( -4.848 0.515 -0.271) 4.883 12.305 ( 4.848 0.515 -0.271) 4.883 12.431 ( -1.842 -0.767 4.833) 5.228 12.431 ( 1.842 -0.767 4.833) 5.228 12.508 ( -2.689 1.166 3.801) 4.800 12.508 ( 2.689 1.166 3.801) 4.800 12.567 ( -1.830 0.862 -1.398) 2.459 12.567 ( 1.830 0.862 -1.398) 2.459 12.654 ( -4.290 4.497 -3.551) 7.158 12.654 ( 4.290 4.497 -3.551) 7.158 12.909 ( -1.188 1.921 1.400) 2.657 12.909 ( 1.188 1.921 1.400) 2.657 12.980 ( -6.668 -2.852 5.546) 9.130 12.980 ( 6.668 -2.852 5.546) 9.130 13.040 ( -0.924 -1.314 3.172) 3.555 13.040 ( 0.924 -1.314 3.172) 3.555 13.092 ( -2.243 0.412 0.440) 2.322 13.092 ( 2.243 0.412 0.440) 2.322 13.118 ( -3.306 -2.639 -4.142) 5.920 13.118 ( 3.306 -2.639 -4.142) 5.920 13.198 ( -0.360 -6.979 2.666) 7.480 13.198 ( 0.360 -6.979 2.666) 7.480 13.382 ( -2.937 1.711 13.278) 13.707 13.382 ( 2.937 1.711 13.278) 13.707 13.473 ( -2.533 1.037 11.098) 11.431 13.473 ( 2.533 1.037 11.098) 11.431 13.584 ( -1.357 -1.147 5.256) 5.548 13.584 ( 1.357 -1.147 5.256) 5.548 13.674 ( -0.559 0.704 -5.084) 5.163 13.674 ( 0.559 0.704 -5.085) 5.163 13.722 ( -1.112 1.522 6.854) 7.109 13.722 ( 1.112 1.522 6.854) 7.109 13.854 ( -3.670 4.874 -1.887) 6.386 13.854 ( 3.670 4.874 -1.886) 6.386 13.960 ( -2.667 0.629 -5.835) 6.446 13.960 ( 2.667 0.629 -5.835) 6.446 14.052 ( -3.261 -1.322 -4.871) 6.009 14.052 ( 3.261 -1.322 -4.871) 6.009 14.128 ( -1.784 2.010 -1.352) 3.008 14.128 ( 1.784 2.010 -1.352) 3.008 14.142 ( -0.664 -2.886 0.443) 2.995 14.142 ( 0.664 -2.886 0.443) 2.995 14.298 ( -0.850 -0.865 1.948) 2.295 14.298 ( 0.850 -0.865 1.948) 2.295 14.396 ( -2.750 4.585 -1.109) 5.460 14.396 ( 2.750 4.585 -1.109) 5.460 14.737 ( -1.566 -0.853 3.027) 3.513 14.737 ( 1.566 -0.853 3.027) 3.513 14.787 ( -2.788 -2.901 1.172) 4.191 14.787 ( 2.788 -2.901 1.172) 4.191 14.941 ( -1.462 -3.092 0.569) 3.467 14.941 ( 1.462 -3.092 0.569) 3.467 15.147 ( -1.972 3.541 -3.548) 5.387 15.147 ( 1.972 3.541 -3.548) 5.387 15.437 ( -4.061 0.675 -3.290) 5.270 15.437 ( 4.061 0.675 -3.290) 5.270 15.478 ( -5.606 1.708 -3.786) 6.977 15.478 ( 5.606 1.708 -3.786) 6.977 15.617 ( -4.128 3.266 4.971) 7.240 15.617 ( 4.128 3.266 4.971) 7.240 15.728 ( -2.807 3.559 -0.037) 4.533 15.728 ( 2.807 3.559 -0.037) 4.533 15.852 ( -4.311 1.252 -1.534) 4.744 15.852 ( 4.311 1.252 -1.534) 4.744 16.011 ( -6.141 -3.677 -1.534) 7.320 16.011 ( 6.141 -3.677 -1.534) 7.320 16.073 ( -1.881 -6.369 -0.288) 6.647 16.073 ( 1.881 -6.369 -0.288) 6.647 16.181 ( -4.367 -10.477 -3.894) 12.000 16.181 ( 4.367 -10.477 -3.894) 12.000 16.432 ( -7.337 5.750 6.095) 11.138 16.432 ( 7.337 5.750 6.095) 11.138 16.547 ( -7.138 3.783 2.694) 8.516 16.547 ( 7.138 3.783 2.694) 8.516 16.785 ( -1.267 -3.241 -7.946) 8.675 16.785 ( 1.267 -3.241 -7.946) 8.675 16.832 ( -0.526 -5.217 -10.432) 11.675 16.832 ( 0.526 -5.217 -10.432) 11.675 17.125 ( -3.350 7.351 -3.491) 8.801 17.125 ( 3.350 7.351 -3.491) 8.801 17.181 ( -0.748 4.847 -5.033) 7.027 17.181 ( 0.748 4.847 -5.033) 7.027 17.360 ( -3.760 -5.247 -1.761) 6.691 17.360 ( 3.760 -5.247 -1.761) 6.691 17.476 ( -2.783 -1.338 -6.230) 6.953 17.476 ( 2.783 -1.338 -6.230) 6.953 17.779 ( -3.263 4.142 -1.920) 5.612 17.779 ( 3.263 4.142 -1.920) 5.612 17.916 ( -3.568 -3.177 -8.141) 9.440 17.916 ( 3.568 -3.177 -8.141) 9.440 18.137 ( -3.240 1.517 0.571) 3.623 18.137 ( 3.240 1.517 0.571) 3.623 18.348 ( -2.741 -2.903 -6.672) 7.775 18.348 ( 2.741 -2.903 -6.672) 7.775 18.560 ( -0.781 2.180 -1.399) 2.705 18.560 ( 0.781 2.180 -1.399) 2.705 18.611 ( -0.890 -0.383 -2.889) 3.047 18.611 ( 0.890 -0.383 -2.889) 3.047 18.945 ( -2.350 2.401 -1.871) 3.846 18.945 ( 2.350 2.401 -1.871) 3.846 18.977 ( -2.549 1.698 -3.435) 4.602 18.977 ( 2.549 1.698 -3.435) 4.602 19.019 ( -1.201 -1.494 -0.189) 1.926 19.019 ( 1.201 -1.494 -0.189) 1.926 19.186 ( -2.207 -2.090 -4.896) 5.763 19.186 ( 2.207 -2.090 -4.896) 5.763 19.357 ( -1.495 -3.233 -2.702) 4.471 19.357 ( 1.495 -3.233 -2.702) 4.471 19.505 ( -1.084 2.297 -4.172) 4.885 19.505 ( 1.084 2.297 -4.172) 4.885 ======================= Grid point 139 (36/36) ======================= q-point: (-0.50 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 34 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.000 0.000 8.464) 8.464 1.468 ( 0.000 0.000 8.464) 8.464 1.651 ( -0.000 -0.000 -8.761) 8.761 1.651 ( 0.000 0.000 -8.761) 8.761 1.755 ( -0.000 -0.000 -0.183) 0.183 1.755 ( 0.000 0.000 -0.183) 0.183 1.758 ( -0.000 -0.000 -0.377) 0.377 1.758 ( 0.000 0.000 -0.377) 0.377 2.104 ( -0.000 -0.000 7.044) 7.044 2.104 ( 0.000 0.000 7.044) 7.044 2.214 ( 0.000 0.000 0.601) 0.601 2.214 ( 0.000 0.000 0.601) 0.601 2.239 ( -0.000 -0.000 -6.847) 6.847 2.239 ( -0.000 -0.000 -6.847) 6.847 2.473 ( -0.000 -0.000 -0.002) 0.002 2.473 ( 0.000 0.000 -0.002) 0.002 2.871 ( 0.000 0.000 1.957) 1.957 2.871 ( 0.000 0.000 1.958) 1.958 2.872 ( 0.000 0.000 2.015) 2.015 2.872 ( 0.000 0.000 2.015) 2.015 2.959 ( -0.000 -0.000 0.331) 0.331 2.959 ( 0.000 0.000 0.331) 0.331 3.230 ( 0.000 0.000 2.943) 2.943 3.230 ( 0.000 0.000 2.943) 2.943 4.885 ( 0.000 0.000 2.505) 2.505 4.885 ( 0.000 0.000 2.505) 2.505 5.660 ( -0.000 -0.000 5.874) 5.874 5.660 ( 0.000 0.000 5.874) 5.874 5.692 ( -0.000 -0.000 3.119) 3.119 5.692 ( 0.000 0.000 3.119) 3.119 5.762 ( -0.000 -0.000 6.856) 6.856 5.762 ( 0.000 0.000 6.856) 6.856 6.264 ( 0.000 0.000 -3.763) 3.763 6.264 ( 0.000 0.000 -3.763) 3.763 6.275 ( 0.000 0.000 -2.994) 2.994 6.275 ( -0.000 -0.000 -2.994) 2.994 6.435 ( 0.000 0.000 3.331) 3.331 6.435 ( 0.000 0.000 3.331) 3.331 6.540 ( -0.000 -0.000 5.609) 5.609 6.540 ( 0.000 0.000 5.609) 5.609 6.649 ( -0.000 -0.000 6.571) 6.571 6.649 ( -0.000 -0.000 6.571) 6.571 6.662 ( -0.000 -0.000 -6.362) 6.362 6.662 ( 0.000 0.000 -6.362) 6.362 6.849 ( 0.000 0.000 -11.577) 11.577 6.849 ( 0.000 0.000 -11.577) 11.577 6.916 ( -0.000 -0.000 -5.563) 5.563 6.916 ( -0.000 -0.000 -5.563) 5.563 7.143 ( 0.000 0.000 1.379) 1.379 7.143 ( 0.000 0.000 1.379) 1.379 7.769 ( 0.000 0.000 8.972) 8.972 7.769 ( 0.000 0.000 8.972) 8.972 7.788 ( -0.000 -0.000 1.327) 1.327 7.788 ( 0.000 0.000 1.327) 1.327 7.959 ( -0.000 -0.000 -10.673) 10.673 7.959 ( 0.000 0.000 -10.673) 10.673 8.251 ( -0.000 -0.000 -1.292) 1.292 8.251 ( 0.000 0.000 -1.292) 1.292 8.488 ( -0.000 -0.000 15.135) 15.135 8.488 ( 0.000 0.000 15.135) 15.135 8.525 ( -0.000 -0.000 2.751) 2.751 8.525 ( 0.000 0.000 2.751) 2.751 8.689 ( -0.000 -0.000 -6.907) 6.907 8.689 ( 0.000 0.000 -6.907) 6.907 8.752 ( -0.000 -0.000 8.512) 8.512 8.752 ( 0.000 0.000 8.512) 8.512 8.897 ( 0.000 0.000 -1.198) 1.198 8.897 ( 0.000 0.000 -1.198) 1.198 8.911 ( -0.000 -0.000 13.151) 13.151 8.911 ( 0.000 0.000 13.151) 13.151 9.037 ( 0.000 0.000 11.797) 11.797 9.037 ( 0.000 0.000 11.797) 11.797 9.101 ( -0.000 -0.000 -6.531) 6.531 9.101 ( 0.000 0.000 -6.531) 6.531 9.388 ( 0.000 0.000 -9.810) 9.810 9.388 ( 0.000 0.000 -9.810) 9.810 9.594 ( -0.000 -0.000 21.981) 21.981 9.594 ( 0.000 0.000 21.981) 21.981 9.703 ( -0.000 -0.000 1.146) 1.146 9.703 ( 0.000 0.000 1.146) 1.146 9.708 ( -0.000 -0.000 7.765) 7.765 9.708 ( 0.000 0.000 7.765) 7.765 9.755 ( 0.000 0.000 12.291) 12.291 9.755 ( 0.000 0.000 12.291) 12.291 9.911 ( 0.000 0.000 -0.287) 0.287 9.911 ( 0.000 0.000 -0.287) 0.287 10.015 ( -0.000 -0.000 3.029) 3.029 10.015 ( 0.000 0.000 3.029) 3.029 10.133 ( -0.000 -0.000 -14.799) 14.799 10.133 ( 0.000 0.000 -14.799) 14.799 10.180 ( 0.000 0.000 -4.050) 4.050 10.180 ( 0.000 0.000 -4.050) 4.050 10.272 ( -0.000 -0.000 9.831) 9.831 10.272 ( 0.000 0.000 9.831) 9.831 10.313 ( -0.000 -0.000 0.828) 0.828 10.313 ( 0.000 0.000 0.828) 0.828 10.484 ( -0.000 -0.000 -15.599) 15.599 10.484 ( 0.000 0.000 -15.599) 15.599 10.606 ( -0.000 -0.000 9.428) 9.428 10.606 ( 0.000 0.000 9.428) 9.428 10.616 ( 0.000 0.000 3.808) 3.808 10.616 ( 0.000 0.000 3.808) 3.808 10.758 ( -0.000 -0.000 4.033) 4.033 10.758 ( 0.000 0.000 4.033) 4.033 10.803 ( -0.000 -0.000 -8.130) 8.130 10.803 ( 0.000 0.000 -8.130) 8.130 11.123 ( 0.000 0.000 6.397) 6.397 11.123 ( 0.000 0.000 6.397) 6.397 11.209 ( -0.000 -0.000 -1.690) 1.690 11.209 ( 0.000 0.000 -1.690) 1.690 11.211 ( -0.000 -0.000 -2.090) 2.090 11.211 ( 0.000 0.000 -2.090) 2.090 11.334 ( -0.000 -0.000 -10.759) 10.759 11.334 ( 0.000 0.000 -10.759) 10.759 11.411 ( -0.000 -0.000 -0.897) 0.897 11.411 ( 0.000 0.000 -0.897) 0.897 11.447 ( -0.000 -0.000 -6.845) 6.845 11.447 ( 0.000 0.000 -6.845) 6.845 11.583 ( 0.000 0.000 2.325) 2.325 11.583 ( 0.000 0.000 2.325) 2.325 11.734 ( 0.000 0.000 10.224) 10.224 11.734 ( -0.000 -0.000 10.224) 10.224 11.940 ( -0.000 -0.000 1.700) 1.700 11.940 ( 0.000 0.000 1.700) 1.700 11.962 ( -0.000 -0.000 -11.699) 11.699 11.962 ( 0.000 0.000 -11.699) 11.699 12.206 ( -0.000 -0.000 6.974) 6.974 12.206 ( 0.000 0.000 6.974) 6.974 12.278 ( 0.000 0.000 1.616) 1.616 12.278 ( 0.000 0.000 1.616) 1.616 12.331 ( -0.000 -0.000 -6.238) 6.238 12.331 ( 0.000 0.000 -6.238) 6.238 12.399 ( -0.000 -0.000 9.445) 9.445 12.399 ( 0.000 0.000 9.445) 9.445 12.546 ( 0.000 0.000 -3.996) 3.996 12.546 ( 0.000 0.000 -3.996) 3.996 12.549 ( -0.000 -0.000 9.620) 9.620 12.549 ( 0.000 0.000 9.620) 9.620 12.734 ( -0.000 -0.000 -8.816) 8.816 12.734 ( -0.000 -0.000 -8.816) 8.816 12.918 ( 0.000 0.000 5.445) 5.445 12.918 ( 0.000 0.000 5.445) 5.445 12.962 ( 0.000 0.000 2.387) 2.387 12.962 ( 0.000 0.000 2.387) 2.387 13.023 ( -0.000 -0.000 -0.383) 0.383 13.023 ( -0.000 -0.000 -0.383) 0.383 13.063 ( -0.000 -0.000 6.112) 6.112 13.063 ( 0.000 0.000 6.112) 6.112 13.096 ( -0.000 -0.000 0.618) 0.618 13.096 ( 0.000 0.000 0.618) 0.618 13.123 ( 0.000 0.000 -5.528) 5.528 13.123 ( 0.000 0.000 -5.528) 5.528 13.436 ( 0.000 0.000 15.551) 15.551 13.436 ( 0.000 0.000 15.551) 15.551 13.442 ( -0.000 -0.000 11.970) 11.970 13.442 ( 0.000 0.000 11.970) 11.970 13.586 ( -0.000 -0.000 6.060) 6.060 13.586 ( 0.000 0.000 6.060) 6.060 13.671 ( 0.000 0.000 -10.115) 10.115 13.671 ( 0.000 0.000 -10.115) 10.115 13.748 ( 0.000 0.000 13.175) 13.175 13.748 ( 0.000 0.000 13.175) 13.175 13.927 ( 0.000 0.000 -1.218) 1.218 13.927 ( 0.000 0.000 -1.218) 1.218 13.970 ( 0.000 0.000 -5.657) 5.657 13.970 ( 0.000 0.000 -5.657) 5.657 13.999 ( -0.000 -0.000 -8.899) 8.899 13.999 ( 0.000 0.000 -8.899) 8.899 14.143 ( -0.000 -0.000 1.428) 1.428 14.143 ( 0.000 0.000 1.428) 1.428 14.158 ( -0.000 -0.000 -3.782) 3.782 14.158 ( 0.000 0.000 -3.782) 3.782 14.259 ( 0.000 0.000 2.659) 2.659 14.259 ( 0.000 0.000 2.659) 2.659 14.463 ( -0.000 -0.000 -0.750) 0.750 14.463 ( 0.000 0.000 -0.750) 0.750 14.728 ( -0.000 -0.000 3.365) 3.365 14.728 ( 0.000 0.000 3.365) 3.365 14.747 ( -0.000 -0.000 0.677) 0.677 14.747 ( 0.000 0.000 0.677) 0.677 14.899 ( 0.000 0.000 1.461) 1.461 14.899 ( 0.000 0.000 1.461) 1.461 15.185 ( 0.000 0.000 -3.835) 3.835 15.185 ( 0.000 0.000 -3.835) 3.835 15.437 ( 0.000 0.000 -7.963) 7.963 15.437 ( 0.000 0.000 -7.963) 7.963 15.601 ( -0.000 -0.000 7.335) 7.335 15.601 ( 0.000 0.000 7.335) 7.335 15.644 ( -0.000 -0.000 3.692) 3.692 15.644 ( -0.000 -0.000 3.692) 3.692 15.728 ( -0.000 -0.000 -4.927) 4.927 15.728 ( 0.000 0.000 -4.927) 4.927 15.800 ( 0.000 0.000 -0.298) 0.298 15.800 ( 0.000 0.000 -0.298) 0.298 15.962 ( -0.000 -0.000 2.236) 2.236 15.962 ( -0.000 -0.000 2.236) 2.236 16.050 ( -0.000 -0.000 -6.381) 6.381 16.050 ( 0.000 0.000 -6.381) 6.381 16.056 ( -0.000 -0.000 -6.983) 6.983 16.056 ( 0.000 0.000 -6.983) 6.983 16.487 ( 0.000 0.000 12.229) 12.229 16.487 ( 0.000 0.000 12.229) 12.229 16.594 ( -0.000 -0.000 2.902) 2.902 16.594 ( 0.000 0.000 2.902) 2.902 16.761 ( -0.000 -0.000 -15.560) 15.560 16.761 ( 0.000 0.000 -15.560) 15.560 16.770 ( -0.000 -0.000 -6.723) 6.723 16.770 ( -0.000 -0.000 -6.723) 6.723 17.232 ( -0.000 -0.000 -3.795) 3.795 17.232 ( 0.000 0.000 -3.795) 3.795 17.239 ( -0.000 -0.000 -3.932) 3.932 17.239 ( 0.000 0.000 -3.932) 3.932 17.262 ( 0.000 0.000 0.497) 0.497 17.262 ( 0.000 0.000 0.497) 0.497 17.464 ( -0.000 -0.000 -8.413) 8.413 17.464 ( 0.000 0.000 -8.413) 8.413 17.817 ( -0.000 -0.000 -1.354) 1.354 17.817 ( 0.000 0.000 -1.354) 1.354 17.893 ( -0.000 -0.000 -9.733) 9.733 17.893 ( -0.000 -0.000 -9.733) 9.733 18.139 ( 0.000 0.000 2.178) 2.178 18.139 ( 0.000 0.000 2.178) 2.178 18.326 ( 0.000 0.000 -7.726) 7.726 18.326 ( 0.000 0.000 -7.726) 7.726 18.574 ( -0.000 -0.000 0.068) 0.068 18.574 ( 0.000 0.000 0.068) 0.068 18.614 ( -0.000 -0.000 -3.737) 3.737 18.614 ( 0.000 0.000 -3.737) 3.737 18.974 ( -0.000 -0.000 1.116) 1.116 18.974 ( 0.000 0.000 1.116) 1.116 18.996 ( -0.000 -0.000 -3.125) 3.125 18.996 ( 0.000 0.000 -3.125) 3.125 19.005 ( -0.000 -0.000 -3.990) 3.990 19.005 ( 0.000 0.000 -3.990) 3.990 19.159 ( -0.000 -0.000 -4.288) 4.288 19.159 ( 0.000 0.000 -4.288) 4.288 19.321 ( -0.000 -0.000 -2.571) 2.571 19.321 ( 0.000 0.000 -2.571) 2.571 19.528 ( 0.000 0.000 -4.299) 4.299 19.528 ( 0.000 0.000 -4.299) 4.299 =================== 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 3/42240 10.0 776.950 776.950 238.745 0.000 0.000 0.000 3/42240 20.0 230.161 230.161 103.742 0.000 0.000 0.000 3/42240 30.0 125.898 125.898 62.383 0.000 0.000 0.000 3/42240 40.0 81.161 81.161 42.711 0.000 0.000 0.000 3/42240 50.0 54.530 54.530 29.892 0.000 0.000 0.000 3/42240 60.0 37.396 37.396 21.229 0.000 0.000 0.000 3/42240 70.0 26.372 26.372 15.490 0.000 0.000 0.000 3/42240 80.0 19.247 19.247 11.695 0.000 0.000 0.000 3/42240 90.0 14.552 14.552 9.140 0.000 0.000 0.000 3/42240 100.0 11.372 11.372 7.373 0.000 0.000 0.000 3/42240 110.0 9.152 9.152 6.114 0.000 0.000 0.000 3/42240 120.0 7.555 7.555 5.191 0.000 0.000 0.000 3/42240 130.0 6.374 6.374 4.496 0.000 0.000 0.000 3/42240 140.0 5.478 5.478 3.959 0.000 0.000 0.000 3/42240 150.0 4.784 4.784 3.536 0.000 0.000 0.000 3/42240 160.0 4.233 4.233 3.195 0.000 0.000 0.000 3/42240 170.0 3.790 3.790 2.916 0.000 0.000 0.000 3/42240 180.0 3.427 3.427 2.685 0.000 0.000 0.000 3/42240 190.0 3.125 3.125 2.489 0.000 0.000 0.000 3/42240 200.0 2.871 2.871 2.323 0.000 0.000 0.000 3/42240 210.0 2.655 2.655 2.179 0.000 0.000 0.000 3/42240 220.0 2.469 2.469 2.054 0.000 0.000 0.000 3/42240 230.0 2.307 2.307 1.943 0.000 0.000 0.000 3/42240 240.0 2.166 2.166 1.846 0.000 0.000 0.000 3/42240 250.0 2.041 2.041 1.758 0.000 0.000 0.000 3/42240 260.0 1.930 1.930 1.680 0.000 0.000 0.000 3/42240 270.0 1.831 1.831 1.609 0.000 0.000 0.000 3/42240 280.0 1.742 1.742 1.544 0.000 0.000 0.000 3/42240 290.0 1.661 1.661 1.485 0.000 0.000 0.000 3/42240 300.0 1.588 1.588 1.431 0.000 0.000 0.000 3/42240 310.0 1.521 1.521 1.381 0.000 0.000 0.000 3/42240 320.0 1.460 1.460 1.335 0.000 0.000 0.000 3/42240 330.0 1.404 1.404 1.292 0.000 0.000 0.000 3/42240 340.0 1.352 1.352 1.251 0.000 0.000 0.000 3/42240 350.0 1.304 1.304 1.214 0.000 0.000 0.000 3/42240 360.0 1.260 1.260 1.179 0.000 0.000 0.000 3/42240 370.0 1.218 1.218 1.146 0.000 0.000 0.000 3/42240 380.0 1.180 1.180 1.115 0.000 0.000 0.000 3/42240 390.0 1.143 1.143 1.085 0.000 0.000 0.000 3/42240 400.0 1.109 1.109 1.058 0.000 0.000 0.000 3/42240 410.0 1.078 1.078 1.031 0.000 0.000 0.000 3/42240 420.0 1.048 1.048 1.007 0.000 0.000 0.000 3/42240 430.0 1.019 1.019 0.983 0.000 0.000 0.000 3/42240 440.0 0.992 0.992 0.960 0.000 0.000 0.000 3/42240 450.0 0.967 0.967 0.939 0.000 0.000 0.000 3/42240 460.0 0.943 0.943 0.918 0.000 0.000 0.000 3/42240 470.0 0.920 0.920 0.899 0.000 0.000 0.000 3/42240 480.0 0.899 0.899 0.880 0.000 0.000 0.000 3/42240 490.0 0.878 0.878 0.862 0.000 0.000 0.000 3/42240 500.0 0.858 0.858 0.845 0.000 0.000 0.000 3/42240 510.0 0.839 0.839 0.828 0.000 0.000 0.000 3/42240 520.0 0.822 0.822 0.812 0.000 0.000 0.000 3/42240 530.0 0.804 0.804 0.797 0.000 0.000 0.000 3/42240 540.0 0.788 0.788 0.782 0.000 0.000 0.000 3/42240 550.0 0.772 0.772 0.768 0.000 0.000 0.000 3/42240 560.0 0.757 0.757 0.755 0.000 0.000 0.000 3/42240 570.0 0.743 0.743 0.742 0.000 0.000 0.000 3/42240 580.0 0.729 0.729 0.729 0.000 0.000 0.000 3/42240 590.0 0.715 0.715 0.717 0.000 0.000 0.000 3/42240 600.0 0.702 0.702 0.705 0.000 0.000 0.000 3/42240 610.0 0.690 0.690 0.693 0.000 0.000 0.000 3/42240 620.0 0.678 0.678 0.682 0.000 0.000 0.000 3/42240 630.0 0.666 0.666 0.672 0.000 0.000 0.000 3/42240 640.0 0.655 0.655 0.661 0.000 0.000 0.000 3/42240 650.0 0.644 0.644 0.651 0.000 0.000 0.000 3/42240 660.0 0.634 0.634 0.641 0.000 0.000 0.000 3/42240 670.0 0.624 0.624 0.632 0.000 0.000 0.000 3/42240 680.0 0.614 0.614 0.623 0.000 0.000 0.000 3/42240 690.0 0.604 0.604 0.614 0.000 0.000 0.000 3/42240 700.0 0.595 0.595 0.605 0.000 0.000 0.000 3/42240 710.0 0.586 0.586 0.597 0.000 0.000 0.000 3/42240 720.0 0.578 0.578 0.589 0.000 0.000 0.000 3/42240 730.0 0.569 0.569 0.581 0.000 0.000 0.000 3/42240 740.0 0.561 0.561 0.573 0.000 0.000 0.000 3/42240 750.0 0.553 0.553 0.565 0.000 0.000 0.000 3/42240 760.0 0.546 0.546 0.558 0.000 0.000 0.000 3/42240 770.0 0.538 0.538 0.551 0.000 0.000 0.000 3/42240 780.0 0.531 0.531 0.544 0.000 0.000 0.000 3/42240 790.0 0.524 0.524 0.537 0.000 0.000 0.000 3/42240 800.0 0.517 0.517 0.530 0.000 0.000 0.000 3/42240 810.0 0.511 0.511 0.524 0.000 0.000 0.000 3/42240 820.0 0.504 0.504 0.518 0.000 0.000 0.000 3/42240 830.0 0.498 0.498 0.512 0.000 0.000 0.000 3/42240 840.0 0.492 0.492 0.506 0.000 0.000 0.000 3/42240 850.0 0.485 0.485 0.500 0.000 0.000 0.000 3/42240 860.0 0.480 0.480 0.494 0.000 0.000 0.000 3/42240 870.0 0.474 0.474 0.488 0.000 0.000 0.000 3/42240 880.0 0.468 0.468 0.483 0.000 0.000 0.000 3/42240 890.0 0.463 0.463 0.477 0.000 0.000 0.000 3/42240 900.0 0.457 0.457 0.472 0.000 0.000 0.000 3/42240 910.0 0.452 0.452 0.467 0.000 0.000 0.000 3/42240 920.0 0.447 0.447 0.462 0.000 0.000 0.000 3/42240 930.0 0.442 0.442 0.457 0.000 0.000 0.000 3/42240 940.0 0.437 0.437 0.452 0.000 0.000 0.000 3/42240 950.0 0.433 0.433 0.448 0.000 0.000 0.000 3/42240 960.0 0.428 0.428 0.443 0.000 0.000 0.000 3/42240 970.0 0.423 0.423 0.439 0.000 0.000 0.000 3/42240 980.0 0.419 0.419 0.434 0.000 0.000 0.000 3/42240 990.0 0.415 0.415 0.430 0.000 0.000 0.000 3/42240 1000.0 0.410 0.410 0.426 0.000 0.000 0.000 3/42240 Thermal conductivity related properties were written into "kappa-m4411.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:07:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|