----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:36:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.731240757956982 0.000000000000000 0.000000000000000 b -4.365620378978491 7.561476302948843 0.000000000000000 c 0.000000000000000 0.000000000000000 9.399651750000000 Atomic positions (fractional): *1 Li 0.34176568034300 0.98468452755463 0.03485122541370 6.941 *2 Li 0.69574234767543 0.69574234767543 0.75000000000000 6.941 3 Li 0.69574234767543 0.00000000000000 0.25000000000000 6.941 4 Li 0.98468452755463 0.34176568034300 0.46514877458630 6.941 5 Li 0.65823431965700 0.01531547244537 0.96514877458630 6.941 6 Li 0.34176568034300 0.35708115278837 0.53485122541370 6.941 7 Li 0.64291884721163 0.98468452755463 0.53485122541370 6.941 8 Li 0.30425765232457 0.00000000000000 0.75000000000000 6.941 9 Li 0.00000000000000 0.30425765232457 0.75000000000000 6.941 10 Li 0.30425765232457 0.30425765232457 0.25000000000000 6.941 11 Li 0.01531547244537 0.65823431965700 0.53485122541370 6.941 12 Li 0.35708115278837 0.34176568034300 0.96514877458630 6.941 13 Li 0.01531547244537 0.35708115278837 0.03485122541370 6.941 14 Li 0.65823431965700 0.64291884721163 0.46514877458630 6.941 15 Li 0.98468452755463 0.64291884721163 0.96514877458630 6.941 16 Li 0.64291884721163 0.65823431965700 0.03485122541370 6.941 17 Li 0.00000000000000 0.69574234767543 0.25000000000000 6.941 18 Li 0.35708115278837 0.01531547244537 0.46514877458630 6.941 *19 Sc 0.66666666666667 0.33333333333333 0.73979217575626 44.956 20 Sc 0.66666666666667 0.33333333333333 0.23979217575626 44.956 *21 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 22 Sc 0.33333333333333 0.66666666666667 0.76020782424374 44.956 23 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 24 Sc 0.33333333333333 0.66666666666667 0.26020782424374 44.956 *25 F 0.88060782788623 0.10909713425567 0.10898281956234 18.998 *26 F 0.78540476280558 0.23097894088172 0.86055679386876 18.998 27 F 0.44557417807614 0.21459523719442 0.86055679386876 18.998 28 F 0.11939217211377 0.22848930636945 0.39101718043766 18.998 29 F 0.78540476280558 0.55442582192386 0.36055679386876 18.998 30 F 0.88060782788623 0.77151069363055 0.60898281956234 18.998 31 F 0.55442582192386 0.78540476280558 0.13944320613124 18.998 32 F 0.77151069363055 0.88060782788623 0.89101718043766 18.998 *33 F 0.57087156228342 0.46074618799306 0.62062026171128 18.998 34 F 0.89090286574433 0.77151069363055 0.10898281956234 18.998 35 F 0.10909713425567 0.88060782788623 0.39101718043766 18.998 36 F 0.76902105911828 0.55442582192386 0.86055679386876 18.998 37 F 0.53925381200694 0.42912843771658 0.12062026171128 18.998 38 F 0.21459523719442 0.44557417807614 0.63944320613124 18.998 39 F 0.88987462570964 0.42912843771658 0.62062026171128 18.998 40 F 0.10909713425567 0.22848930636945 0.89101718043766 18.998 41 F 0.77151069363055 0.89090286574433 0.39101718043766 18.998 42 F 0.44557417807614 0.23097894088172 0.36055679386876 18.998 43 F 0.22848930636945 0.10909713425567 0.60898281956234 18.998 44 F 0.42912843771658 0.53925381200694 0.37937973828872 18.998 45 F 0.22848930636945 0.11939217211377 0.10898281956234 18.998 46 F 0.11939217211377 0.89090286574433 0.89101718043766 18.998 47 F 0.46074618799306 0.57087156228342 0.87937973828872 18.998 48 F 0.88987462570964 0.46074618799306 0.12062026171128 18.998 49 F 0.76902105911828 0.21459523719442 0.36055679386876 18.998 50 F 0.23097894088172 0.78540476280558 0.63944320613124 18.998 51 F 0.11012537429036 0.53925381200694 0.87937973828872 18.998 52 F 0.23097894088172 0.44557417807614 0.13944320613124 18.998 53 F 0.21459523719442 0.76902105911828 0.13944320613124 18.998 54 F 0.11012537429036 0.57087156228342 0.37937973828872 18.998 55 F 0.89090286574433 0.11939217211377 0.60898281956234 18.998 56 F 0.57087156228342 0.11012537429036 0.12062026171128 18.998 57 F 0.53925381200694 0.11012537429036 0.62062026171128 18.998 58 F 0.46074618799306 0.88987462570964 0.37937973828872 18.998 59 F 0.42912843771658 0.88987462570964 0.87937973828872 18.998 60 F 0.55442582192386 0.76902105911828 0.63944320613124 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.731240757956982 0.000000000000000 0.000000000000000 b -4.365620378978491 7.561476302948843 0.000000000000000 c 0.000000000000000 0.000000000000000 9.399651750000000 Atomic positions (fractional): *1 Li 0.34176568034300 0.98468452755463 0.03485122541370 6.941 > 1 *2 Li 0.69574234767543 0.69574234767543 0.75000000000000 6.941 > 2 3 Li 0.69574234767543 0.00000000000000 0.25000000000000 6.941 > 3 4 Li 0.98468452755463 0.34176568034300 0.46514877458630 6.941 > 4 5 Li 0.65823431965700 0.01531547244537 0.96514877458630 6.941 > 5 6 Li 0.34176568034300 0.35708115278837 0.53485122541370 6.941 > 6 7 Li 0.64291884721163 0.98468452755463 0.53485122541370 6.941 > 7 8 Li 0.30425765232457 0.00000000000000 0.75000000000000 6.941 > 8 9 Li 0.00000000000000 0.30425765232457 0.75000000000000 6.941 > 9 10 Li 0.30425765232457 0.30425765232457 0.25000000000000 6.941 > 10 11 Li 0.01531547244537 0.65823431965700 0.53485122541370 6.941 > 11 12 Li 0.35708115278837 0.34176568034300 0.96514877458630 6.941 > 12 13 Li 0.01531547244537 0.35708115278837 0.03485122541370 6.941 > 13 14 Li 0.65823431965700 0.64291884721163 0.46514877458630 6.941 > 14 15 Li 0.98468452755463 0.64291884721163 0.96514877458630 6.941 > 15 16 Li 0.64291884721163 0.65823431965700 0.03485122541370 6.941 > 16 17 Li 0.00000000000000 0.69574234767543 0.25000000000000 6.941 > 17 18 Li 0.35708115278837 0.01531547244537 0.46514877458630 6.941 > 18 *19 Sc 0.66666666666667 0.33333333333333 0.73979217575626 44.956 > 19 20 Sc 0.66666666666667 0.33333333333333 0.23979217575626 44.956 > 20 *21 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 21 22 Sc 0.33333333333333 0.66666666666667 0.76020782424374 44.956 > 22 23 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 23 24 Sc 0.33333333333333 0.66666666666667 0.26020782424374 44.956 > 24 *25 F 0.88060782788623 0.10909713425567 0.10898281956234 18.998 > 25 *26 F 0.78540476280558 0.23097894088172 0.86055679386876 18.998 > 26 27 F 0.44557417807614 0.21459523719442 0.86055679386876 18.998 > 27 28 F 0.11939217211377 0.22848930636945 0.39101718043766 18.998 > 28 29 F 0.78540476280558 0.55442582192386 0.36055679386876 18.998 > 29 30 F 0.88060782788623 0.77151069363055 0.60898281956234 18.998 > 30 31 F 0.55442582192386 0.78540476280558 0.13944320613124 18.998 > 31 32 F 0.77151069363055 0.88060782788623 0.89101718043766 18.998 > 32 *33 F 0.57087156228342 0.46074618799306 0.62062026171128 18.998 > 33 34 F 0.89090286574433 0.77151069363055 0.10898281956234 18.998 > 34 35 F 0.10909713425567 0.88060782788623 0.39101718043766 18.998 > 35 36 F 0.76902105911828 0.55442582192386 0.86055679386876 18.998 > 36 37 F 0.53925381200694 0.42912843771658 0.12062026171128 18.998 > 37 38 F 0.21459523719442 0.44557417807614 0.63944320613124 18.998 > 38 39 F 0.88987462570964 0.42912843771658 0.62062026171128 18.998 > 39 40 F 0.10909713425567 0.22848930636945 0.89101718043766 18.998 > 40 41 F 0.77151069363055 0.89090286574433 0.39101718043766 18.998 > 41 42 F 0.44557417807614 0.23097894088172 0.36055679386876 18.998 > 42 43 F 0.22848930636945 0.10909713425567 0.60898281956234 18.998 > 43 44 F 0.42912843771658 0.53925381200694 0.37937973828872 18.998 > 44 45 F 0.22848930636945 0.11939217211377 0.10898281956234 18.998 > 45 46 F 0.11939217211377 0.89090286574433 0.89101718043766 18.998 > 46 47 F 0.46074618799306 0.57087156228342 0.87937973828872 18.998 > 47 48 F 0.88987462570964 0.46074618799306 0.12062026171128 18.998 > 48 49 F 0.76902105911828 0.21459523719442 0.36055679386876 18.998 > 49 50 F 0.23097894088172 0.78540476280558 0.63944320613124 18.998 > 50 51 F 0.11012537429036 0.53925381200694 0.87937973828872 18.998 > 51 52 F 0.23097894088172 0.44557417807614 0.13944320613124 18.998 > 52 53 F 0.21459523719442 0.76902105911828 0.13944320613124 18.998 > 53 54 F 0.11012537429036 0.57087156228342 0.37937973828872 18.998 > 54 55 F 0.89090286574433 0.11939217211377 0.60898281956234 18.998 > 55 56 F 0.57087156228342 0.11012537429036 0.12062026171128 18.998 > 56 57 F 0.53925381200694 0.11012537429036 0.62062026171128 18.998 > 57 58 F 0.46074618799306 0.88987462570964 0.37937973828872 18.998 > 58 59 F 0.42912843771658 0.88987462570964 0.87937973828872 18.998 > 59 60 F 0.55442582192386 0.76902105911828 0.63944320613124 18.998 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.731240757956982 0.000000000000000 0.000000000000000 b -4.365620378978491 7.561476302948843 0.000000000000000 c 0.000000000000000 0.000000000000000 9.399651750000000 Atomic positions (fractional): *1 Li 0.34176568034300 0.98468452755463 0.03485122541370 6.941 > 1 *2 Li 0.69574234767543 0.69574234767543 0.75000000000000 6.941 > 2 3 Li 0.69574234767543 0.00000000000000 0.25000000000000 6.941 > 3 4 Li 0.98468452755463 0.34176568034300 0.46514877458630 6.941 > 4 5 Li 0.65823431965700 0.01531547244537 0.96514877458630 6.941 > 5 6 Li 0.34176568034300 0.35708115278837 0.53485122541370 6.941 > 6 7 Li 0.64291884721163 0.98468452755463 0.53485122541370 6.941 > 7 8 Li 0.30425765232457 0.00000000000000 0.75000000000000 6.941 > 8 9 Li 0.00000000000000 0.30425765232457 0.75000000000000 6.941 > 9 10 Li 0.30425765232457 0.30425765232457 0.25000000000000 6.941 > 10 11 Li 0.01531547244537 0.65823431965700 0.53485122541370 6.941 > 11 12 Li 0.35708115278837 0.34176568034300 0.96514877458630 6.941 > 12 13 Li 0.01531547244537 0.35708115278837 0.03485122541370 6.941 > 13 14 Li 0.65823431965700 0.64291884721163 0.46514877458630 6.941 > 14 15 Li 0.98468452755463 0.64291884721163 0.96514877458630 6.941 > 15 16 Li 0.64291884721163 0.65823431965700 0.03485122541370 6.941 > 16 17 Li 0.00000000000000 0.69574234767543 0.25000000000000 6.941 > 17 18 Li 0.35708115278837 0.01531547244537 0.46514877458630 6.941 > 18 *19 Sc 0.66666666666667 0.33333333333333 0.73979217575626 44.956 > 19 20 Sc 0.66666666666667 0.33333333333333 0.23979217575626 44.956 > 20 *21 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 21 22 Sc 0.33333333333333 0.66666666666667 0.76020782424374 44.956 > 22 23 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 23 24 Sc 0.33333333333333 0.66666666666667 0.26020782424374 44.956 > 24 *25 F 0.88060782788623 0.10909713425567 0.10898281956234 18.998 > 25 *26 F 0.78540476280558 0.23097894088172 0.86055679386876 18.998 > 26 27 F 0.44557417807614 0.21459523719442 0.86055679386876 18.998 > 27 28 F 0.11939217211377 0.22848930636945 0.39101718043766 18.998 > 28 29 F 0.78540476280558 0.55442582192386 0.36055679386876 18.998 > 29 30 F 0.88060782788623 0.77151069363055 0.60898281956234 18.998 > 30 31 F 0.55442582192386 0.78540476280558 0.13944320613124 18.998 > 31 32 F 0.77151069363055 0.88060782788623 0.89101718043766 18.998 > 32 *33 F 0.57087156228342 0.46074618799306 0.62062026171128 18.998 > 33 34 F 0.89090286574433 0.77151069363055 0.10898281956234 18.998 > 34 35 F 0.10909713425567 0.88060782788623 0.39101718043766 18.998 > 35 36 F 0.76902105911828 0.55442582192386 0.86055679386876 18.998 > 36 37 F 0.53925381200694 0.42912843771658 0.12062026171128 18.998 > 37 38 F 0.21459523719442 0.44557417807614 0.63944320613124 18.998 > 38 39 F 0.88987462570964 0.42912843771658 0.62062026171128 18.998 > 39 40 F 0.10909713425567 0.22848930636945 0.89101718043766 18.998 > 40 41 F 0.77151069363055 0.89090286574433 0.39101718043766 18.998 > 41 42 F 0.44557417807614 0.23097894088172 0.36055679386876 18.998 > 42 43 F 0.22848930636945 0.10909713425567 0.60898281956234 18.998 > 43 44 F 0.42912843771658 0.53925381200694 0.37937973828872 18.998 > 44 45 F 0.22848930636945 0.11939217211377 0.10898281956234 18.998 > 45 46 F 0.11939217211377 0.89090286574433 0.89101718043766 18.998 > 46 47 F 0.46074618799306 0.57087156228342 0.87937973828872 18.998 > 47 48 F 0.88987462570964 0.46074618799306 0.12062026171128 18.998 > 48 49 F 0.76902105911828 0.21459523719442 0.36055679386876 18.998 > 49 50 F 0.23097894088172 0.78540476280558 0.63944320613124 18.998 > 50 51 F 0.11012537429036 0.53925381200694 0.87937973828872 18.998 > 51 52 F 0.23097894088172 0.44557417807614 0.13944320613124 18.998 > 52 53 F 0.21459523719442 0.76902105911828 0.13944320613124 18.998 > 53 54 F 0.11012537429036 0.57087156228342 0.37937973828872 18.998 > 54 55 F 0.89090286574433 0.11939217211377 0.60898281956234 18.998 > 55 56 F 0.57087156228342 0.11012537429036 0.12062026171128 18.998 > 56 57 F 0.53925381200694 0.11012537429036 0.62062026171128 18.998 > 57 58 F 0.46074618799306 0.88987462570964 0.37937973828872 18.998 > 58 59 F 0.42912843771658 0.88987462570964 0.87937973828872 18.998 > 59 60 F 0.55442582192386 0.76902105911828 0.63944320613124 18.998 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2794683 -0.0000000 0.0000000 -0.0000000 2.2794683 0.0000000 0.0000000 0.0000000 2.1980605 -------------------------- Born effective charges -------------------------- 1 Li 1.1240623 -0.0284100 0.0148676 0.0139903 1.1155860 0.0140310 0.0231593 -0.0694391 1.0891048 2 Li 1.0908887 -0.0010234 0.0060475 -0.0010234 1.0897070 -0.0034915 -0.0948916 0.0547857 1.0257430 3 Li 1.0891162 -0.0000000 -0.0000000 -0.0000000 1.0914795 0.0069830 -0.0000000 -0.1095714 1.0257430 4 Li 1.1239490 0.0139249 -0.0047174 -0.0284754 1.1156993 -0.0198912 0.0717157 0.0146630 1.0891048 5 Li 1.1240623 -0.0284100 0.0148676 0.0139903 1.1155860 0.0140310 0.0231593 -0.0694391 1.0891048 6 Li 1.1114612 0.0212655 0.0195850 -0.0211347 1.1281871 0.0058602 -0.0485564 0.0547761 1.0891048 7 Li 1.1240623 0.0284100 -0.0148676 -0.0139903 1.1155860 0.0140310 -0.0231593 -0.0694391 1.0891048 8 Li 1.0891162 -0.0000000 -0.0000000 -0.0000000 1.0914795 0.0069830 -0.0000000 -0.1095714 1.0257430 9 Li 1.0908887 0.0010234 -0.0060475 0.0010234 1.0897070 -0.0034915 0.0948916 0.0547857 1.0257430 10 Li 1.0908887 -0.0010234 0.0060475 -0.0010234 1.0897070 -0.0034915 -0.0948916 0.0547857 1.0257430 11 Li 1.1239490 0.0139249 -0.0047174 -0.0284754 1.1156993 -0.0198912 0.0717157 0.0146630 1.0891048 12 Li 1.1239490 -0.0139249 0.0047174 0.0284754 1.1156993 -0.0198912 -0.0717157 0.0146630 1.0891048 13 Li 1.1114612 -0.0212655 -0.0195850 0.0211347 1.1281871 0.0058602 0.0485564 0.0547761 1.0891048 14 Li 1.1114612 0.0212655 0.0195850 -0.0211347 1.1281871 0.0058602 -0.0485564 0.0547761 1.0891048 15 Li 1.1114612 -0.0212655 -0.0195850 0.0211347 1.1281871 0.0058602 0.0485564 0.0547761 1.0891048 16 Li 1.1239490 -0.0139249 0.0047174 0.0284754 1.1156993 -0.0198912 -0.0717157 0.0146630 1.0891048 17 Li 1.0908887 0.0010234 -0.0060475 0.0010234 1.0897070 -0.0034915 0.0948916 0.0547857 1.0257430 18 Li 1.1240623 0.0284100 -0.0148676 -0.0139903 1.1155860 0.0140310 -0.0231593 -0.0694391 1.0891048 19 Sc 3.5408341 -0.0112979 0.0000000 0.0112979 3.5408341 -0.0000000 -0.0000000 0.0000000 3.3166646 20 Sc 3.5408341 0.0112979 0.0000000 -0.0112979 3.5408341 -0.0000000 -0.0000000 0.0000000 3.3166646 21 Sc 3.6624272 -0.0426679 0.0000000 0.0426679 3.6624272 -0.0000000 -0.0000000 0.0000000 3.0068353 22 Sc 3.5408341 0.0112979 0.0000000 -0.0112979 3.5408341 -0.0000000 -0.0000000 0.0000000 3.3166646 23 Sc 3.6624272 0.0426679 0.0000000 -0.0426679 3.6624272 -0.0000000 -0.0000000 0.0000000 3.0068353 24 Sc 3.5408341 -0.0112979 0.0000000 0.0112979 3.5408341 -0.0000000 -0.0000000 0.0000000 3.3166646 25 F -1.3425014 0.2014828 0.3177416 0.2159960 -0.9874493 -0.1074699 0.3418383 -0.0941308 -1.0154133 26 F -1.3242553 0.1898482 -0.3307056 0.1970618 -0.9605805 0.2367007 -0.3420275 0.2489400 -1.0886249 27 F -1.2190362 -0.2578101 0.3703416 -0.2505965 -1.0657996 0.1680491 0.3866021 0.1717345 -1.0886249 28 F -0.8954387 -0.0421158 0.0657991 -0.0566290 -1.4345120 0.3289072 0.0893995 0.3431060 -1.0154133 29 F -0.8839622 -0.0571415 0.0396361 -0.0643551 -1.4008736 -0.4047498 0.0445746 -0.4206745 -1.0886249 30 F -0.8954387 -0.0421158 0.0657991 -0.0566290 -1.4345120 0.3289072 0.0893995 0.3431060 -1.0154133 31 F -1.2190362 -0.2578101 0.3703416 -0.2505965 -1.0657996 0.1680491 0.3866021 0.1717345 -1.0886249 32 F -1.2569860 -0.2653684 -0.2519424 -0.2508552 -1.0729648 -0.2214373 -0.2524388 -0.2489752 -1.0154133 33 F -1.2178788 0.2638290 -0.3593757 0.2414694 -1.0786460 0.2028263 -0.3482157 0.1952784 -1.1046321 34 F -0.8954387 0.0421158 -0.0657991 0.0566290 -1.4345120 0.3289072 -0.0893995 0.3431060 -1.0154133 35 F -1.2569860 0.2653684 0.2519424 0.2508552 -1.0729648 -0.2214373 0.2524388 -0.2489752 -1.0154133 36 F -0.8839622 0.0571415 -0.0396361 0.0643551 -1.4008736 -0.4047498 -0.0445746 -0.4206745 -1.0886249 37 F -1.3322548 0.1754344 -0.3553406 0.1977939 -0.9642699 0.2098153 -0.3432239 0.2039245 -1.1046321 38 F -0.8839622 -0.0571415 0.0396361 -0.0643551 -1.4008736 -0.4047498 0.0445746 -0.4206745 -1.0886249 39 F -1.3322548 -0.1754344 0.3553406 -0.1977939 -0.9642699 0.2098153 0.3432239 0.2039245 -1.1046321 40 F -0.8954387 0.0421158 -0.0657991 0.0566290 -1.4345120 0.3289072 -0.0893995 0.3431060 -1.0154133 41 F -1.3425014 -0.2014828 -0.3177416 -0.2159960 -0.9874493 -0.1074699 -0.3418383 -0.0941308 -1.0154133 42 F -1.3242553 -0.1898482 0.3307056 -0.1970618 -0.9605805 0.2367007 0.3420275 0.2489400 -1.0886249 43 F -1.3425014 -0.2014828 -0.3177416 -0.2159960 -0.9874493 -0.1074699 -0.3418383 -0.0941308 -1.0154133 44 F -1.2178788 0.2638290 -0.3593757 0.2414694 -1.0786460 0.2028263 -0.3482157 0.1952784 -1.1046321 45 F -1.2569860 -0.2653684 -0.2519424 -0.2508552 -1.0729648 -0.2214373 -0.2524388 -0.2489752 -1.0154133 46 F -1.3425014 0.2014828 0.3177416 0.2159960 -0.9874493 -0.1074699 0.3418383 -0.0941308 -1.0154133 47 F -1.3322548 0.1754344 -0.3553406 0.1977939 -0.9642699 0.2098153 -0.3432239 0.2039245 -1.1046321 48 F -1.2178788 -0.2638290 0.3593757 -0.2414694 -1.0786460 0.2028263 0.3482157 0.1952784 -1.1046321 49 F -1.2190362 0.2578101 -0.3703416 0.2505965 -1.0657996 0.1680491 -0.3866021 0.1717345 -1.0886249 50 F -1.2190362 0.2578101 -0.3703416 0.2505965 -1.0657996 0.1680491 -0.3866021 0.1717345 -1.0886249 51 F -1.2178788 -0.2638290 0.3593757 -0.2414694 -1.0786460 0.2028263 0.3482157 0.1952784 -1.1046321 52 F -0.8839622 0.0571415 -0.0396361 0.0643551 -1.4008736 -0.4047498 -0.0445746 -0.4206745 -1.0886249 53 F -1.3242553 0.1898482 -0.3307056 0.1970618 -0.9605805 0.2367007 -0.3420275 0.2489400 -1.0886249 54 F -1.3322548 -0.1754344 0.3553406 -0.1977939 -0.9642699 0.2098153 0.3432239 0.2039245 -1.1046321 55 F -1.2569860 0.2653684 0.2519424 0.2508552 -1.0729648 -0.2214373 0.2524388 -0.2489752 -1.0154133 56 F -0.8946535 0.0548553 -0.0040351 0.0772148 -1.4018712 -0.4126417 -0.0049918 -0.3992029 -1.1046321 57 F -0.8946535 -0.0548553 0.0040351 -0.0772148 -1.4018712 -0.4126417 0.0049918 -0.3992029 -1.1046321 58 F -0.8946535 -0.0548553 0.0040351 -0.0772148 -1.4018712 -0.4126417 0.0049918 -0.3992029 -1.1046321 59 F -0.8946535 0.0548553 -0.0040351 0.0772148 -1.4018712 -0.4126417 -0.0049918 -0.3992029 -1.1046321 60 F -1.3242553 -0.1898482 0.3307056 -0.1970618 -0.9605805 0.2367007 0.3420275 0.2489400 -1.0886249 ---------------------------------------------------------------------------- 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: 180/180 Permutation basis: 16110/16110 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1412 Number of blocks in projector: 658 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 643 Use submatrix version of eigh solver. (1) Block: 500 / 643 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 643 / 643 (1) 131 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 594 Use submatrix version of eigh solver. (1) Block: 594 / 594 (2) Block: 250 / 594 (2) 232 eigenvectors found. (2) Block: 500 / 594 (2) 236 eigenvectors found. (2) Block: 594 / 594 (2) 86 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 576 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 175 Use standard eigh solver. Tree of FC basis block matrices: - (1412, 1365), data: False |-- (175, 168), data: True |-- (594, 576), data: False |-- (594, 576), data: False |-- (594, 22), data: (594, 40) @ (40, 22) |-- (94, 86), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (643, 621), data: False |-- (643, 12), data: (643, 34) @ (34, 12) |-- (143, 131), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True ----- Solver_atoms: 1 -- 60 / 60 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 0.992 Solver_block: 200 / 640 - Time: 0.993 Solver_block: 300 / 640 - Time: 0.992 Solver_block: 400 / 640 - Time: 0.990 Solver_block: 500 / 640 - Time: 0.990 Solver_block: 600 / 640 - Time: 0.992 Solver_block: 640 / 640 - Time: 0.440 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.420 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 180/180 Permutation basis: 16110/16110 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1412 Number of blocks in projector: 658 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 643 Use submatrix version of eigh solver. (1) Block: 500 / 643 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 643 / 643 (1) 131 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 594 Use submatrix version of eigh solver. (1) Block: 594 / 594 (2) Block: 250 / 594 (2) 232 eigenvectors found. (2) Block: 500 / 594 (2) 236 eigenvectors found. (2) Block: 594 / 594 (2) 86 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 576 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 175 Use standard eigh solver. Tree of FC basis block matrices: - (1412, 1365), data: False |-- (175, 168), data: True |-- (594, 576), data: False |-- (594, 576), data: False |-- (594, 22), data: (594, 40) @ (40, 22) |-- (94, 86), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (643, 621), data: False |-- (643, 12), data: (643, 34) @ (34, 12) |-- (143, 131), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:36:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:36:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.731240757956982 0.000000000000000 0.000000000000000 b -4.365620378978491 7.561476302948843 0.000000000000000 c 0.000000000000000 0.000000000000000 9.399651750000000 Atomic positions (fractional): 1 Li 0.34176568034300 0.98468452755463 0.03485122541370 6.941 2 Li 0.69574234767543 0.69574234767543 0.75000000000000 6.941 3 Li 0.69574234767543 0.00000000000000 0.25000000000000 6.941 4 Li 0.98468452755463 0.34176568034300 0.46514877458630 6.941 5 Li 0.65823431965700 0.01531547244537 0.96514877458630 6.941 6 Li 0.34176568034300 0.35708115278837 0.53485122541370 6.941 7 Li 0.64291884721163 0.98468452755463 0.53485122541370 6.941 8 Li 0.30425765232457 0.00000000000000 0.75000000000000 6.941 9 Li 0.00000000000000 0.30425765232457 0.75000000000000 6.941 10 Li 0.30425765232457 0.30425765232457 0.25000000000000 6.941 11 Li 0.01531547244537 0.65823431965700 0.53485122541370 6.941 12 Li 0.35708115278837 0.34176568034300 0.96514877458630 6.941 13 Li 0.01531547244537 0.35708115278837 0.03485122541370 6.941 14 Li 0.65823431965700 0.64291884721163 0.46514877458630 6.941 15 Li 0.98468452755463 0.64291884721163 0.96514877458630 6.941 16 Li 0.64291884721163 0.65823431965700 0.03485122541370 6.941 17 Li 0.00000000000000 0.69574234767543 0.25000000000000 6.941 18 Li 0.35708115278837 0.01531547244537 0.46514877458630 6.941 19 Sc 0.66666666666667 0.33333333333333 0.73979217575626 44.956 20 Sc 0.66666666666667 0.33333333333333 0.23979217575626 44.956 21 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 22 Sc 0.33333333333333 0.66666666666667 0.76020782424374 44.956 23 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 24 Sc 0.33333333333333 0.66666666666667 0.26020782424374 44.956 25 F 0.88060782788623 0.10909713425567 0.10898281956234 18.998 26 F 0.78540476280558 0.23097894088172 0.86055679386876 18.998 27 F 0.44557417807614 0.21459523719442 0.86055679386876 18.998 28 F 0.11939217211377 0.22848930636945 0.39101718043766 18.998 29 F 0.78540476280558 0.55442582192386 0.36055679386876 18.998 30 F 0.88060782788623 0.77151069363055 0.60898281956234 18.998 31 F 0.55442582192386 0.78540476280558 0.13944320613124 18.998 32 F 0.77151069363055 0.88060782788623 0.89101718043766 18.998 33 F 0.57087156228342 0.46074618799306 0.62062026171128 18.998 34 F 0.89090286574433 0.77151069363055 0.10898281956234 18.998 35 F 0.10909713425567 0.88060782788623 0.39101718043766 18.998 36 F 0.76902105911828 0.55442582192386 0.86055679386876 18.998 37 F 0.53925381200694 0.42912843771658 0.12062026171128 18.998 38 F 0.21459523719442 0.44557417807614 0.63944320613124 18.998 39 F 0.88987462570964 0.42912843771658 0.62062026171128 18.998 40 F 0.10909713425567 0.22848930636945 0.89101718043766 18.998 41 F 0.77151069363055 0.89090286574433 0.39101718043766 18.998 42 F 0.44557417807614 0.23097894088172 0.36055679386876 18.998 43 F 0.22848930636945 0.10909713425567 0.60898281956234 18.998 44 F 0.42912843771658 0.53925381200694 0.37937973828872 18.998 45 F 0.22848930636945 0.11939217211377 0.10898281956234 18.998 46 F 0.11939217211377 0.89090286574433 0.89101718043766 18.998 47 F 0.46074618799306 0.57087156228342 0.87937973828872 18.998 48 F 0.88987462570964 0.46074618799306 0.12062026171128 18.998 49 F 0.76902105911828 0.21459523719442 0.36055679386876 18.998 50 F 0.23097894088172 0.78540476280558 0.63944320613124 18.998 51 F 0.11012537429036 0.53925381200694 0.87937973828872 18.998 52 F 0.23097894088172 0.44557417807614 0.13944320613124 18.998 53 F 0.21459523719442 0.76902105911828 0.13944320613124 18.998 54 F 0.11012537429036 0.57087156228342 0.37937973828872 18.998 55 F 0.89090286574433 0.11939217211377 0.60898281956234 18.998 56 F 0.57087156228342 0.11012537429036 0.12062026171128 18.998 57 F 0.53925381200694 0.11012537429036 0.62062026171128 18.998 58 F 0.46074618799306 0.88987462570964 0.37937973828872 18.998 59 F 0.42912843771658 0.88987462570964 0.87937973828872 18.998 60 F 0.55442582192386 0.76902105911828 0.63944320613124 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.731240757956982 0.000000000000000 0.000000000000000 b -4.365620378978491 7.561476302948843 0.000000000000000 c 0.000000000000000 0.000000000000000 9.399651750000000 Atomic positions (fractional): 1 Li 0.34176568034300 0.98468452755463 0.03485122541370 6.941 > 1 2 Li 0.69574234767543 0.69574234767543 0.75000000000000 6.941 > 2 3 Li 0.69574234767543 0.00000000000000 0.25000000000000 6.941 > 3 4 Li 0.98468452755463 0.34176568034300 0.46514877458630 6.941 > 4 5 Li 0.65823431965700 0.01531547244537 0.96514877458630 6.941 > 5 6 Li 0.34176568034300 0.35708115278837 0.53485122541370 6.941 > 6 7 Li 0.64291884721163 0.98468452755463 0.53485122541370 6.941 > 7 8 Li 0.30425765232457 0.00000000000000 0.75000000000000 6.941 > 8 9 Li 0.00000000000000 0.30425765232457 0.75000000000000 6.941 > 9 10 Li 0.30425765232457 0.30425765232457 0.25000000000000 6.941 > 10 11 Li 0.01531547244537 0.65823431965700 0.53485122541370 6.941 > 11 12 Li 0.35708115278837 0.34176568034300 0.96514877458630 6.941 > 12 13 Li 0.01531547244537 0.35708115278837 0.03485122541370 6.941 > 13 14 Li 0.65823431965700 0.64291884721163 0.46514877458630 6.941 > 14 15 Li 0.98468452755463 0.64291884721163 0.96514877458630 6.941 > 15 16 Li 0.64291884721163 0.65823431965700 0.03485122541370 6.941 > 16 17 Li 0.00000000000000 0.69574234767543 0.25000000000000 6.941 > 17 18 Li 0.35708115278837 0.01531547244537 0.46514877458630 6.941 > 18 19 Sc 0.66666666666667 0.33333333333333 0.73979217575626 44.956 > 19 20 Sc 0.66666666666667 0.33333333333333 0.23979217575626 44.956 > 20 21 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 21 22 Sc 0.33333333333333 0.66666666666667 0.76020782424374 44.956 > 22 23 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 23 24 Sc 0.33333333333333 0.66666666666667 0.26020782424374 44.956 > 24 25 F 0.88060782788623 0.10909713425567 0.10898281956234 18.998 > 25 26 F 0.78540476280558 0.23097894088172 0.86055679386876 18.998 > 26 27 F 0.44557417807614 0.21459523719442 0.86055679386876 18.998 > 27 28 F 0.11939217211377 0.22848930636945 0.39101718043766 18.998 > 28 29 F 0.78540476280558 0.55442582192386 0.36055679386876 18.998 > 29 30 F 0.88060782788623 0.77151069363055 0.60898281956234 18.998 > 30 31 F 0.55442582192386 0.78540476280558 0.13944320613124 18.998 > 31 32 F 0.77151069363055 0.88060782788623 0.89101718043766 18.998 > 32 33 F 0.57087156228342 0.46074618799306 0.62062026171128 18.998 > 33 34 F 0.89090286574433 0.77151069363055 0.10898281956234 18.998 > 34 35 F 0.10909713425567 0.88060782788623 0.39101718043766 18.998 > 35 36 F 0.76902105911828 0.55442582192386 0.86055679386876 18.998 > 36 37 F 0.53925381200694 0.42912843771658 0.12062026171128 18.998 > 37 38 F 0.21459523719442 0.44557417807614 0.63944320613124 18.998 > 38 39 F 0.88987462570964 0.42912843771658 0.62062026171128 18.998 > 39 40 F 0.10909713425567 0.22848930636945 0.89101718043766 18.998 > 40 41 F 0.77151069363055 0.89090286574433 0.39101718043766 18.998 > 41 42 F 0.44557417807614 0.23097894088172 0.36055679386876 18.998 > 42 43 F 0.22848930636945 0.10909713425567 0.60898281956234 18.998 > 43 44 F 0.42912843771658 0.53925381200694 0.37937973828872 18.998 > 44 45 F 0.22848930636945 0.11939217211377 0.10898281956234 18.998 > 45 46 F 0.11939217211377 0.89090286574433 0.89101718043766 18.998 > 46 47 F 0.46074618799306 0.57087156228342 0.87937973828872 18.998 > 47 48 F 0.88987462570964 0.46074618799306 0.12062026171128 18.998 > 48 49 F 0.76902105911828 0.21459523719442 0.36055679386876 18.998 > 49 50 F 0.23097894088172 0.78540476280558 0.63944320613124 18.998 > 50 51 F 0.11012537429036 0.53925381200694 0.87937973828872 18.998 > 51 52 F 0.23097894088172 0.44557417807614 0.13944320613124 18.998 > 52 53 F 0.21459523719442 0.76902105911828 0.13944320613124 18.998 > 53 54 F 0.11012537429036 0.57087156228342 0.37937973828872 18.998 > 54 55 F 0.89090286574433 0.11939217211377 0.60898281956234 18.998 > 55 56 F 0.57087156228342 0.11012537429036 0.12062026171128 18.998 > 56 57 F 0.53925381200694 0.11012537429036 0.62062026171128 18.998 > 57 58 F 0.46074618799306 0.88987462570964 0.37937973828872 18.998 > 58 59 F 0.42912843771658 0.88987462570964 0.87937973828872 18.998 > 59 60 F 0.55442582192386 0.76902105911828 0.63944320613124 18.998 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2794683 -0.0000000 0.0000000 -0.0000000 2.2794683 0.0000000 0.0000000 0.0000000 2.1980605 -------------------------- Born effective charges -------------------------- 1 Li 1.1240623 -0.0284100 0.0148676 0.0139903 1.1155860 0.0140310 0.0231593 -0.0694391 1.0891048 2 Li 1.0908887 -0.0010234 0.0060475 -0.0010234 1.0897070 -0.0034915 -0.0948916 0.0547857 1.0257430 3 Li 1.0891162 -0.0000000 -0.0000000 -0.0000000 1.0914795 0.0069830 -0.0000000 -0.1095714 1.0257430 4 Li 1.1239490 0.0139249 -0.0047174 -0.0284754 1.1156993 -0.0198912 0.0717157 0.0146630 1.0891048 5 Li 1.1240623 -0.0284100 0.0148676 0.0139903 1.1155860 0.0140310 0.0231593 -0.0694391 1.0891048 6 Li 1.1114612 0.0212655 0.0195850 -0.0211347 1.1281871 0.0058602 -0.0485564 0.0547761 1.0891048 7 Li 1.1240623 0.0284100 -0.0148676 -0.0139903 1.1155860 0.0140310 -0.0231593 -0.0694391 1.0891048 8 Li 1.0891162 -0.0000000 -0.0000000 -0.0000000 1.0914795 0.0069830 -0.0000000 -0.1095714 1.0257430 9 Li 1.0908887 0.0010234 -0.0060475 0.0010234 1.0897070 -0.0034915 0.0948916 0.0547857 1.0257430 10 Li 1.0908887 -0.0010234 0.0060475 -0.0010234 1.0897070 -0.0034915 -0.0948916 0.0547857 1.0257430 11 Li 1.1239490 0.0139249 -0.0047174 -0.0284754 1.1156993 -0.0198912 0.0717157 0.0146630 1.0891048 12 Li 1.1239490 -0.0139249 0.0047174 0.0284754 1.1156993 -0.0198912 -0.0717157 0.0146630 1.0891048 13 Li 1.1114612 -0.0212655 -0.0195850 0.0211347 1.1281871 0.0058602 0.0485564 0.0547761 1.0891048 14 Li 1.1114612 0.0212655 0.0195850 -0.0211347 1.1281871 0.0058602 -0.0485564 0.0547761 1.0891048 15 Li 1.1114612 -0.0212655 -0.0195850 0.0211347 1.1281871 0.0058602 0.0485564 0.0547761 1.0891048 16 Li 1.1239490 -0.0139249 0.0047174 0.0284754 1.1156993 -0.0198912 -0.0717157 0.0146630 1.0891048 17 Li 1.0908887 0.0010234 -0.0060475 0.0010234 1.0897070 -0.0034915 0.0948916 0.0547857 1.0257430 18 Li 1.1240623 0.0284100 -0.0148676 -0.0139903 1.1155860 0.0140310 -0.0231593 -0.0694391 1.0891048 19 Sc 3.5408341 -0.0112979 0.0000000 0.0112979 3.5408341 -0.0000000 -0.0000000 0.0000000 3.3166646 20 Sc 3.5408341 0.0112979 0.0000000 -0.0112979 3.5408341 -0.0000000 -0.0000000 0.0000000 3.3166646 21 Sc 3.6624272 -0.0426679 0.0000000 0.0426679 3.6624272 -0.0000000 -0.0000000 0.0000000 3.0068353 22 Sc 3.5408341 0.0112979 0.0000000 -0.0112979 3.5408341 -0.0000000 -0.0000000 0.0000000 3.3166646 23 Sc 3.6624272 0.0426679 0.0000000 -0.0426679 3.6624272 -0.0000000 -0.0000000 0.0000000 3.0068353 24 Sc 3.5408341 -0.0112979 0.0000000 0.0112979 3.5408341 -0.0000000 -0.0000000 0.0000000 3.3166646 25 F -1.3425014 0.2014828 0.3177416 0.2159960 -0.9874493 -0.1074699 0.3418383 -0.0941308 -1.0154133 26 F -1.3242553 0.1898482 -0.3307056 0.1970618 -0.9605805 0.2367007 -0.3420275 0.2489400 -1.0886249 27 F -1.2190362 -0.2578101 0.3703416 -0.2505965 -1.0657996 0.1680491 0.3866021 0.1717345 -1.0886249 28 F -0.8954387 -0.0421158 0.0657991 -0.0566290 -1.4345120 0.3289072 0.0893995 0.3431060 -1.0154133 29 F -0.8839622 -0.0571415 0.0396361 -0.0643551 -1.4008736 -0.4047498 0.0445746 -0.4206745 -1.0886249 30 F -0.8954387 -0.0421158 0.0657991 -0.0566290 -1.4345120 0.3289072 0.0893995 0.3431060 -1.0154133 31 F -1.2190362 -0.2578101 0.3703416 -0.2505965 -1.0657996 0.1680491 0.3866021 0.1717345 -1.0886249 32 F -1.2569860 -0.2653684 -0.2519424 -0.2508552 -1.0729648 -0.2214373 -0.2524388 -0.2489752 -1.0154133 33 F -1.2178788 0.2638290 -0.3593757 0.2414694 -1.0786460 0.2028263 -0.3482157 0.1952784 -1.1046321 34 F -0.8954387 0.0421158 -0.0657991 0.0566290 -1.4345120 0.3289072 -0.0893995 0.3431060 -1.0154133 35 F -1.2569860 0.2653684 0.2519424 0.2508552 -1.0729648 -0.2214373 0.2524388 -0.2489752 -1.0154133 36 F -0.8839622 0.0571415 -0.0396361 0.0643551 -1.4008736 -0.4047498 -0.0445746 -0.4206745 -1.0886249 37 F -1.3322548 0.1754344 -0.3553406 0.1977939 -0.9642699 0.2098153 -0.3432239 0.2039245 -1.1046321 38 F -0.8839622 -0.0571415 0.0396361 -0.0643551 -1.4008736 -0.4047498 0.0445746 -0.4206745 -1.0886249 39 F -1.3322548 -0.1754344 0.3553406 -0.1977939 -0.9642699 0.2098153 0.3432239 0.2039245 -1.1046321 40 F -0.8954387 0.0421158 -0.0657991 0.0566290 -1.4345120 0.3289072 -0.0893995 0.3431060 -1.0154133 41 F -1.3425014 -0.2014828 -0.3177416 -0.2159960 -0.9874493 -0.1074699 -0.3418383 -0.0941308 -1.0154133 42 F -1.3242553 -0.1898482 0.3307056 -0.1970618 -0.9605805 0.2367007 0.3420275 0.2489400 -1.0886249 43 F -1.3425014 -0.2014828 -0.3177416 -0.2159960 -0.9874493 -0.1074699 -0.3418383 -0.0941308 -1.0154133 44 F -1.2178788 0.2638290 -0.3593757 0.2414694 -1.0786460 0.2028263 -0.3482157 0.1952784 -1.1046321 45 F -1.2569860 -0.2653684 -0.2519424 -0.2508552 -1.0729648 -0.2214373 -0.2524388 -0.2489752 -1.0154133 46 F -1.3425014 0.2014828 0.3177416 0.2159960 -0.9874493 -0.1074699 0.3418383 -0.0941308 -1.0154133 47 F -1.3322548 0.1754344 -0.3553406 0.1977939 -0.9642699 0.2098153 -0.3432239 0.2039245 -1.1046321 48 F -1.2178788 -0.2638290 0.3593757 -0.2414694 -1.0786460 0.2028263 0.3482157 0.1952784 -1.1046321 49 F -1.2190362 0.2578101 -0.3703416 0.2505965 -1.0657996 0.1680491 -0.3866021 0.1717345 -1.0886249 50 F -1.2190362 0.2578101 -0.3703416 0.2505965 -1.0657996 0.1680491 -0.3866021 0.1717345 -1.0886249 51 F -1.2178788 -0.2638290 0.3593757 -0.2414694 -1.0786460 0.2028263 0.3482157 0.1952784 -1.1046321 52 F -0.8839622 0.0571415 -0.0396361 0.0643551 -1.4008736 -0.4047498 -0.0445746 -0.4206745 -1.0886249 53 F -1.3242553 0.1898482 -0.3307056 0.1970618 -0.9605805 0.2367007 -0.3420275 0.2489400 -1.0886249 54 F -1.3322548 -0.1754344 0.3553406 -0.1977939 -0.9642699 0.2098153 0.3432239 0.2039245 -1.1046321 55 F -1.2569860 0.2653684 0.2519424 0.2508552 -1.0729648 -0.2214373 0.2524388 -0.2489752 -1.0154133 56 F -0.8946535 0.0548553 -0.0040351 0.0772148 -1.4018712 -0.4126417 -0.0049918 -0.3992029 -1.1046321 57 F -0.8946535 -0.0548553 0.0040351 -0.0772148 -1.4018712 -0.4126417 0.0049918 -0.3992029 -1.1046321 58 F -0.8946535 -0.0548553 0.0040351 -0.0772148 -1.4018712 -0.4126417 0.0049918 -0.3992029 -1.1046321 59 F -0.8946535 0.0548553 -0.0040351 0.0772148 -1.4018712 -0.4126417 -0.0049918 -0.3992029 -1.1046321 60 F -1.3242553 -0.1898482 0.3307056 -0.1970618 -0.9605805 0.2367007 0.3420275 0.2489400 -1.0886249 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 2, 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[ 19, 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[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 26, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 16:37:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:37:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.731240757956982 0.000000000000000 0.000000000000000 b -4.365620378978491 7.561476302948843 0.000000000000000 c 0.000000000000000 0.000000000000000 9.399651750000000 Atomic positions (fractional): 1 Li 0.34176568034300 0.98468452755463 0.03485122541370 6.941 2 Li 0.69574234767543 0.69574234767543 0.75000000000000 6.941 3 Li 0.69574234767543 0.00000000000000 0.25000000000000 6.941 4 Li 0.98468452755463 0.34176568034300 0.46514877458630 6.941 5 Li 0.65823431965700 0.01531547244537 0.96514877458630 6.941 6 Li 0.34176568034300 0.35708115278837 0.53485122541370 6.941 7 Li 0.64291884721163 0.98468452755463 0.53485122541370 6.941 8 Li 0.30425765232457 0.00000000000000 0.75000000000000 6.941 9 Li 0.00000000000000 0.30425765232457 0.75000000000000 6.941 10 Li 0.30425765232457 0.30425765232457 0.25000000000000 6.941 11 Li 0.01531547244537 0.65823431965700 0.53485122541370 6.941 12 Li 0.35708115278837 0.34176568034300 0.96514877458630 6.941 13 Li 0.01531547244537 0.35708115278837 0.03485122541370 6.941 14 Li 0.65823431965700 0.64291884721163 0.46514877458630 6.941 15 Li 0.98468452755463 0.64291884721163 0.96514877458630 6.941 16 Li 0.64291884721163 0.65823431965700 0.03485122541370 6.941 17 Li 0.00000000000000 0.69574234767543 0.25000000000000 6.941 18 Li 0.35708115278837 0.01531547244537 0.46514877458630 6.941 19 Sc 0.66666666666667 0.33333333333333 0.73979217575626 44.956 20 Sc 0.66666666666667 0.33333333333333 0.23979217575626 44.956 21 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 22 Sc 0.33333333333333 0.66666666666667 0.76020782424374 44.956 23 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 24 Sc 0.33333333333333 0.66666666666667 0.26020782424374 44.956 25 F 0.88060782788623 0.10909713425567 0.10898281956234 18.998 26 F 0.78540476280558 0.23097894088172 0.86055679386876 18.998 27 F 0.44557417807614 0.21459523719442 0.86055679386876 18.998 28 F 0.11939217211377 0.22848930636945 0.39101718043766 18.998 29 F 0.78540476280558 0.55442582192386 0.36055679386876 18.998 30 F 0.88060782788623 0.77151069363055 0.60898281956234 18.998 31 F 0.55442582192386 0.78540476280558 0.13944320613124 18.998 32 F 0.77151069363055 0.88060782788623 0.89101718043766 18.998 33 F 0.57087156228342 0.46074618799306 0.62062026171128 18.998 34 F 0.89090286574433 0.77151069363055 0.10898281956234 18.998 35 F 0.10909713425567 0.88060782788623 0.39101718043766 18.998 36 F 0.76902105911828 0.55442582192386 0.86055679386876 18.998 37 F 0.53925381200694 0.42912843771658 0.12062026171128 18.998 38 F 0.21459523719442 0.44557417807614 0.63944320613124 18.998 39 F 0.88987462570964 0.42912843771658 0.62062026171128 18.998 40 F 0.10909713425567 0.22848930636945 0.89101718043766 18.998 41 F 0.77151069363055 0.89090286574433 0.39101718043766 18.998 42 F 0.44557417807614 0.23097894088172 0.36055679386876 18.998 43 F 0.22848930636945 0.10909713425567 0.60898281956234 18.998 44 F 0.42912843771658 0.53925381200694 0.37937973828872 18.998 45 F 0.22848930636945 0.11939217211377 0.10898281956234 18.998 46 F 0.11939217211377 0.89090286574433 0.89101718043766 18.998 47 F 0.46074618799306 0.57087156228342 0.87937973828872 18.998 48 F 0.88987462570964 0.46074618799306 0.12062026171128 18.998 49 F 0.76902105911828 0.21459523719442 0.36055679386876 18.998 50 F 0.23097894088172 0.78540476280558 0.63944320613124 18.998 51 F 0.11012537429036 0.53925381200694 0.87937973828872 18.998 52 F 0.23097894088172 0.44557417807614 0.13944320613124 18.998 53 F 0.21459523719442 0.76902105911828 0.13944320613124 18.998 54 F 0.11012537429036 0.57087156228342 0.37937973828872 18.998 55 F 0.89090286574433 0.11939217211377 0.60898281956234 18.998 56 F 0.57087156228342 0.11012537429036 0.12062026171128 18.998 57 F 0.53925381200694 0.11012537429036 0.62062026171128 18.998 58 F 0.46074618799306 0.88987462570964 0.37937973828872 18.998 59 F 0.42912843771658 0.88987462570964 0.87937973828872 18.998 60 F 0.55442582192386 0.76902105911828 0.63944320613124 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.731240757956982 0.000000000000000 0.000000000000000 b -4.365620378978491 7.561476302948843 0.000000000000000 c 0.000000000000000 0.000000000000000 9.399651750000000 Atomic positions (fractional): 1 Li 0.34176568034300 0.98468452755463 0.03485122541370 6.941 > 1 2 Li 0.69574234767543 0.69574234767543 0.75000000000000 6.941 > 2 3 Li 0.69574234767543 0.00000000000000 0.25000000000000 6.941 > 3 4 Li 0.98468452755463 0.34176568034300 0.46514877458630 6.941 > 4 5 Li 0.65823431965700 0.01531547244537 0.96514877458630 6.941 > 5 6 Li 0.34176568034300 0.35708115278837 0.53485122541370 6.941 > 6 7 Li 0.64291884721163 0.98468452755463 0.53485122541370 6.941 > 7 8 Li 0.30425765232457 0.00000000000000 0.75000000000000 6.941 > 8 9 Li 0.00000000000000 0.30425765232457 0.75000000000000 6.941 > 9 10 Li 0.30425765232457 0.30425765232457 0.25000000000000 6.941 > 10 11 Li 0.01531547244537 0.65823431965700 0.53485122541370 6.941 > 11 12 Li 0.35708115278837 0.34176568034300 0.96514877458630 6.941 > 12 13 Li 0.01531547244537 0.35708115278837 0.03485122541370 6.941 > 13 14 Li 0.65823431965700 0.64291884721163 0.46514877458630 6.941 > 14 15 Li 0.98468452755463 0.64291884721163 0.96514877458630 6.941 > 15 16 Li 0.64291884721163 0.65823431965700 0.03485122541370 6.941 > 16 17 Li 0.00000000000000 0.69574234767543 0.25000000000000 6.941 > 17 18 Li 0.35708115278837 0.01531547244537 0.46514877458630 6.941 > 18 19 Sc 0.66666666666667 0.33333333333333 0.73979217575626 44.956 > 19 20 Sc 0.66666666666667 0.33333333333333 0.23979217575626 44.956 > 20 21 Sc 0.00000000000000 0.00000000000000 0.00000000000000 44.956 > 21 22 Sc 0.33333333333333 0.66666666666667 0.76020782424374 44.956 > 22 23 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 23 24 Sc 0.33333333333333 0.66666666666667 0.26020782424374 44.956 > 24 25 F 0.88060782788623 0.10909713425567 0.10898281956234 18.998 > 25 26 F 0.78540476280558 0.23097894088172 0.86055679386876 18.998 > 26 27 F 0.44557417807614 0.21459523719442 0.86055679386876 18.998 > 27 28 F 0.11939217211377 0.22848930636945 0.39101718043766 18.998 > 28 29 F 0.78540476280558 0.55442582192386 0.36055679386876 18.998 > 29 30 F 0.88060782788623 0.77151069363055 0.60898281956234 18.998 > 30 31 F 0.55442582192386 0.78540476280558 0.13944320613124 18.998 > 31 32 F 0.77151069363055 0.88060782788623 0.89101718043766 18.998 > 32 33 F 0.57087156228342 0.46074618799306 0.62062026171128 18.998 > 33 34 F 0.89090286574433 0.77151069363055 0.10898281956234 18.998 > 34 35 F 0.10909713425567 0.88060782788623 0.39101718043766 18.998 > 35 36 F 0.76902105911828 0.55442582192386 0.86055679386876 18.998 > 36 37 F 0.53925381200694 0.42912843771658 0.12062026171128 18.998 > 37 38 F 0.21459523719442 0.44557417807614 0.63944320613124 18.998 > 38 39 F 0.88987462570964 0.42912843771658 0.62062026171128 18.998 > 39 40 F 0.10909713425567 0.22848930636945 0.89101718043766 18.998 > 40 41 F 0.77151069363055 0.89090286574433 0.39101718043766 18.998 > 41 42 F 0.44557417807614 0.23097894088172 0.36055679386876 18.998 > 42 43 F 0.22848930636945 0.10909713425567 0.60898281956234 18.998 > 43 44 F 0.42912843771658 0.53925381200694 0.37937973828872 18.998 > 44 45 F 0.22848930636945 0.11939217211377 0.10898281956234 18.998 > 45 46 F 0.11939217211377 0.89090286574433 0.89101718043766 18.998 > 46 47 F 0.46074618799306 0.57087156228342 0.87937973828872 18.998 > 47 48 F 0.88987462570964 0.46074618799306 0.12062026171128 18.998 > 48 49 F 0.76902105911828 0.21459523719442 0.36055679386876 18.998 > 49 50 F 0.23097894088172 0.78540476280558 0.63944320613124 18.998 > 50 51 F 0.11012537429036 0.53925381200694 0.87937973828872 18.998 > 51 52 F 0.23097894088172 0.44557417807614 0.13944320613124 18.998 > 52 53 F 0.21459523719442 0.76902105911828 0.13944320613124 18.998 > 53 54 F 0.11012537429036 0.57087156228342 0.37937973828872 18.998 > 54 55 F 0.89090286574433 0.11939217211377 0.60898281956234 18.998 > 55 56 F 0.57087156228342 0.11012537429036 0.12062026171128 18.998 > 56 57 F 0.53925381200694 0.11012537429036 0.62062026171128 18.998 > 57 58 F 0.46074618799306 0.88987462570964 0.37937973828872 18.998 > 58 59 F 0.42912843771658 0.88987462570964 0.87937973828872 18.998 > 59 60 F 0.55442582192386 0.76902105911828 0.63944320613124 18.998 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2794683 -0.0000000 0.0000000 -0.0000000 2.2794683 0.0000000 0.0000000 0.0000000 2.1980605 -------------------------- Born effective charges -------------------------- 1 Li 1.1240623 -0.0284100 0.0148676 0.0139903 1.1155860 0.0140310 0.0231593 -0.0694391 1.0891048 2 Li 1.0908887 -0.0010234 0.0060475 -0.0010234 1.0897070 -0.0034915 -0.0948916 0.0547857 1.0257430 3 Li 1.0891162 -0.0000000 -0.0000000 -0.0000000 1.0914795 0.0069830 -0.0000000 -0.1095714 1.0257430 4 Li 1.1239490 0.0139249 -0.0047174 -0.0284754 1.1156993 -0.0198912 0.0717157 0.0146630 1.0891048 5 Li 1.1240623 -0.0284100 0.0148676 0.0139903 1.1155860 0.0140310 0.0231593 -0.0694391 1.0891048 6 Li 1.1114612 0.0212655 0.0195850 -0.0211347 1.1281871 0.0058602 -0.0485564 0.0547761 1.0891048 7 Li 1.1240623 0.0284100 -0.0148676 -0.0139903 1.1155860 0.0140310 -0.0231593 -0.0694391 1.0891048 8 Li 1.0891162 -0.0000000 -0.0000000 -0.0000000 1.0914795 0.0069830 -0.0000000 -0.1095714 1.0257430 9 Li 1.0908887 0.0010234 -0.0060475 0.0010234 1.0897070 -0.0034915 0.0948916 0.0547857 1.0257430 10 Li 1.0908887 -0.0010234 0.0060475 -0.0010234 1.0897070 -0.0034915 -0.0948916 0.0547857 1.0257430 11 Li 1.1239490 0.0139249 -0.0047174 -0.0284754 1.1156993 -0.0198912 0.0717157 0.0146630 1.0891048 12 Li 1.1239490 -0.0139249 0.0047174 0.0284754 1.1156993 -0.0198912 -0.0717157 0.0146630 1.0891048 13 Li 1.1114612 -0.0212655 -0.0195850 0.0211347 1.1281871 0.0058602 0.0485564 0.0547761 1.0891048 14 Li 1.1114612 0.0212655 0.0195850 -0.0211347 1.1281871 0.0058602 -0.0485564 0.0547761 1.0891048 15 Li 1.1114612 -0.0212655 -0.0195850 0.0211347 1.1281871 0.0058602 0.0485564 0.0547761 1.0891048 16 Li 1.1239490 -0.0139249 0.0047174 0.0284754 1.1156993 -0.0198912 -0.0717157 0.0146630 1.0891048 17 Li 1.0908887 0.0010234 -0.0060475 0.0010234 1.0897070 -0.0034915 0.0948916 0.0547857 1.0257430 18 Li 1.1240623 0.0284100 -0.0148676 -0.0139903 1.1155860 0.0140310 -0.0231593 -0.0694391 1.0891048 19 Sc 3.5408341 -0.0112979 0.0000000 0.0112979 3.5408341 -0.0000000 -0.0000000 0.0000000 3.3166646 20 Sc 3.5408341 0.0112979 0.0000000 -0.0112979 3.5408341 -0.0000000 -0.0000000 0.0000000 3.3166646 21 Sc 3.6624272 -0.0426679 0.0000000 0.0426679 3.6624272 -0.0000000 -0.0000000 0.0000000 3.0068353 22 Sc 3.5408341 0.0112979 0.0000000 -0.0112979 3.5408341 -0.0000000 -0.0000000 0.0000000 3.3166646 23 Sc 3.6624272 0.0426679 0.0000000 -0.0426679 3.6624272 -0.0000000 -0.0000000 0.0000000 3.0068353 24 Sc 3.5408341 -0.0112979 0.0000000 0.0112979 3.5408341 -0.0000000 -0.0000000 0.0000000 3.3166646 25 F -1.3425014 0.2014828 0.3177416 0.2159960 -0.9874493 -0.1074699 0.3418383 -0.0941308 -1.0154133 26 F -1.3242553 0.1898482 -0.3307056 0.1970618 -0.9605805 0.2367007 -0.3420275 0.2489400 -1.0886249 27 F -1.2190362 -0.2578101 0.3703416 -0.2505965 -1.0657996 0.1680491 0.3866021 0.1717345 -1.0886249 28 F -0.8954387 -0.0421158 0.0657991 -0.0566290 -1.4345120 0.3289072 0.0893995 0.3431060 -1.0154133 29 F -0.8839622 -0.0571415 0.0396361 -0.0643551 -1.4008736 -0.4047498 0.0445746 -0.4206745 -1.0886249 30 F -0.8954387 -0.0421158 0.0657991 -0.0566290 -1.4345120 0.3289072 0.0893995 0.3431060 -1.0154133 31 F -1.2190362 -0.2578101 0.3703416 -0.2505965 -1.0657996 0.1680491 0.3866021 0.1717345 -1.0886249 32 F -1.2569860 -0.2653684 -0.2519424 -0.2508552 -1.0729648 -0.2214373 -0.2524388 -0.2489752 -1.0154133 33 F -1.2178788 0.2638290 -0.3593757 0.2414694 -1.0786460 0.2028263 -0.3482157 0.1952784 -1.1046321 34 F -0.8954387 0.0421158 -0.0657991 0.0566290 -1.4345120 0.3289072 -0.0893995 0.3431060 -1.0154133 35 F -1.2569860 0.2653684 0.2519424 0.2508552 -1.0729648 -0.2214373 0.2524388 -0.2489752 -1.0154133 36 F -0.8839622 0.0571415 -0.0396361 0.0643551 -1.4008736 -0.4047498 -0.0445746 -0.4206745 -1.0886249 37 F -1.3322548 0.1754344 -0.3553406 0.1977939 -0.9642699 0.2098153 -0.3432239 0.2039245 -1.1046321 38 F -0.8839622 -0.0571415 0.0396361 -0.0643551 -1.4008736 -0.4047498 0.0445746 -0.4206745 -1.0886249 39 F -1.3322548 -0.1754344 0.3553406 -0.1977939 -0.9642699 0.2098153 0.3432239 0.2039245 -1.1046321 40 F -0.8954387 0.0421158 -0.0657991 0.0566290 -1.4345120 0.3289072 -0.0893995 0.3431060 -1.0154133 41 F -1.3425014 -0.2014828 -0.3177416 -0.2159960 -0.9874493 -0.1074699 -0.3418383 -0.0941308 -1.0154133 42 F -1.3242553 -0.1898482 0.3307056 -0.1970618 -0.9605805 0.2367007 0.3420275 0.2489400 -1.0886249 43 F -1.3425014 -0.2014828 -0.3177416 -0.2159960 -0.9874493 -0.1074699 -0.3418383 -0.0941308 -1.0154133 44 F -1.2178788 0.2638290 -0.3593757 0.2414694 -1.0786460 0.2028263 -0.3482157 0.1952784 -1.1046321 45 F -1.2569860 -0.2653684 -0.2519424 -0.2508552 -1.0729648 -0.2214373 -0.2524388 -0.2489752 -1.0154133 46 F -1.3425014 0.2014828 0.3177416 0.2159960 -0.9874493 -0.1074699 0.3418383 -0.0941308 -1.0154133 47 F -1.3322548 0.1754344 -0.3553406 0.1977939 -0.9642699 0.2098153 -0.3432239 0.2039245 -1.1046321 48 F -1.2178788 -0.2638290 0.3593757 -0.2414694 -1.0786460 0.2028263 0.3482157 0.1952784 -1.1046321 49 F -1.2190362 0.2578101 -0.3703416 0.2505965 -1.0657996 0.1680491 -0.3866021 0.1717345 -1.0886249 50 F -1.2190362 0.2578101 -0.3703416 0.2505965 -1.0657996 0.1680491 -0.3866021 0.1717345 -1.0886249 51 F -1.2178788 -0.2638290 0.3593757 -0.2414694 -1.0786460 0.2028263 0.3482157 0.1952784 -1.1046321 52 F -0.8839622 0.0571415 -0.0396361 0.0643551 -1.4008736 -0.4047498 -0.0445746 -0.4206745 -1.0886249 53 F -1.3242553 0.1898482 -0.3307056 0.1970618 -0.9605805 0.2367007 -0.3420275 0.2489400 -1.0886249 54 F -1.3322548 -0.1754344 0.3553406 -0.1977939 -0.9642699 0.2098153 0.3432239 0.2039245 -1.1046321 55 F -1.2569860 0.2653684 0.2519424 0.2508552 -1.0729648 -0.2214373 0.2524388 -0.2489752 -1.0154133 56 F -0.8946535 0.0548553 -0.0040351 0.0772148 -1.4018712 -0.4126417 -0.0049918 -0.3992029 -1.1046321 57 F -0.8946535 -0.0548553 0.0040351 -0.0772148 -1.4018712 -0.4126417 0.0049918 -0.3992029 -1.1046321 58 F -0.8946535 -0.0548553 0.0040351 -0.0772148 -1.4018712 -0.4126417 0.0049918 -0.3992029 -1.1046321 59 F -0.8946535 0.0548553 -0.0040351 0.0772148 -1.4018712 -0.4126417 -0.0049918 -0.3992029 -1.1046321 60 F -1.3242553 -0.1898482 0.3307056 -0.1970618 -0.9605805 0.2367007 0.3420275 0.2489400 -1.0886249 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 5 ] 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: 0.49, Number of G-points: 303, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/32) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.467 ( 0.000 0.000 0.000) 0.000 3.499 ( 0.000 0.000 0.000) 0.000 3.499 ( 0.000 0.000 0.000) 0.000 3.507 ( 0.000 0.000 0.000) 0.000 3.507 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.290 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.201 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.535 ( 0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 0.000) 0.000 5.989 ( 0.000 0.000 0.000) 0.000 5.989 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.071 ( 0.000 0.000 0.000) 0.000 6.214 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.373 ( 0.000 0.000 0.000) 0.000 6.565 ( 0.000 0.000 0.000) 0.000 6.816 ( 0.000 0.000 0.000) 0.000 6.816 ( 0.000 0.000 0.000) 0.000 6.858 ( 0.000 0.000 0.000) 0.000 6.860 ( 0.000 0.000 0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 6.948 ( 0.000 0.000 0.000) 0.000 6.948 ( 0.000 0.000 0.000) 0.000 7.205 ( 0.000 0.000 0.000) 0.000 7.372 ( 0.000 0.000 0.000) 0.000 7.372 ( 0.000 0.000 0.000) 0.000 7.593 ( 0.000 0.000 0.000) 0.000 7.697 ( 0.000 0.000 0.000) 0.000 7.697 ( 0.000 0.000 0.000) 0.000 7.697 ( 0.000 0.000 0.000) 0.000 7.750 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 7.868 ( 0.000 0.000 0.000) 0.000 7.868 ( 0.000 0.000 0.000) 0.000 7.941 ( 0.000 0.000 0.000) 0.000 8.089 ( 0.000 0.000 0.000) 0.000 8.089 ( 0.000 0.000 0.000) 0.000 8.135 ( 0.000 0.000 0.000) 0.000 8.135 ( 0.000 0.000 0.000) 0.000 8.335 ( 0.000 0.000 0.000) 0.000 8.335 ( 0.000 0.000 0.000) 0.000 8.436 ( 0.000 0.000 0.000) 0.000 8.436 ( 0.000 0.000 0.000) 0.000 8.540 ( 0.000 0.000 0.000) 0.000 8.540 ( 0.000 0.000 0.000) 0.000 8.583 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 8.901 ( 0.000 0.000 0.000) 0.000 9.147 ( 0.000 0.000 0.000) 0.000 9.147 ( 0.000 0.000 0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 9.362 ( 0.000 0.000 0.000) 0.000 9.362 ( 0.000 0.000 0.000) 0.000 9.369 ( 0.000 0.000 0.000) 0.000 9.390 ( 0.000 0.000 0.000) 0.000 9.494 ( 0.000 0.000 0.000) 0.000 9.723 ( 0.000 0.000 0.000) 0.000 9.723 ( 0.000 0.000 0.000) 0.000 9.813 ( 0.000 0.000 0.000) 0.000 9.926 ( 0.000 0.000 0.000) 0.000 9.978 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.403 ( 0.000 0.000 0.000) 0.000 10.436 ( 0.000 0.000 0.000) 0.000 10.436 ( 0.000 0.000 0.000) 0.000 10.541 ( 0.000 0.000 0.000) 0.000 10.541 ( 0.000 0.000 0.000) 0.000 10.610 ( 0.000 0.000 0.000) 0.000 10.696 ( 0.000 0.000 0.000) 0.000 10.696 ( 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 11.122 ( 0.000 0.000 0.000) 0.000 11.122 ( 0.000 0.000 0.000) 0.000 11.318 ( 0.000 0.000 0.000) 0.000 11.525 ( 0.000 0.000 0.000) 0.000 11.525 ( 0.000 0.000 0.000) 0.000 11.544 ( 0.000 0.000 0.000) 0.000 11.665 ( 0.000 0.000 0.000) 0.000 11.665 ( 0.000 0.000 0.000) 0.000 11.744 ( 0.000 0.000 0.000) 0.000 11.813 ( 0.000 0.000 0.000) 0.000 11.813 ( 0.000 0.000 0.000) 0.000 12.018 ( 0.000 0.000 0.000) 0.000 12.118 ( 0.000 0.000 0.000) 0.000 12.118 ( 0.000 0.000 0.000) 0.000 12.128 ( 0.000 0.000 0.000) 0.000 12.128 ( 0.000 0.000 0.000) 0.000 12.203 ( 0.000 0.000 0.000) 0.000 12.359 ( 0.000 0.000 0.000) 0.000 12.359 ( 0.000 0.000 0.000) 0.000 12.397 ( 0.000 0.000 0.000) 0.000 12.397 ( 0.000 0.000 0.000) 0.000 12.451 ( 0.000 0.000 0.000) 0.000 12.483 ( 0.000 0.000 0.000) 0.000 12.504 ( 0.000 0.000 0.000) 0.000 12.739 ( 0.000 0.000 0.000) 0.000 12.739 ( 0.000 0.000 0.000) 0.000 12.819 ( 0.000 0.000 0.000) 0.000 12.819 ( 0.000 0.000 0.000) 0.000 13.158 ( 0.000 0.000 0.000) 0.000 13.158 ( 0.000 0.000 0.000) 0.000 13.238 ( 0.000 0.000 0.000) 0.000 13.238 ( 0.000 0.000 0.000) 0.000 13.354 ( 0.000 0.000 0.000) 0.000 13.354 ( 0.000 0.000 0.000) 0.000 13.702 ( 0.000 0.000 0.000) 0.000 13.702 ( 0.000 0.000 0.000) 0.000 13.717 ( 0.000 0.000 0.000) 0.000 13.775 ( 0.000 0.000 0.000) 0.000 14.197 ( 0.000 0.000 0.000) 0.000 14.526 ( 0.000 0.000 0.000) 0.000 14.554 ( 0.000 0.000 0.000) 0.000 14.554 ( 0.000 0.000 0.000) 0.000 14.832 ( 0.000 0.000 0.000) 0.000 14.832 ( 0.000 0.000 0.000) 0.000 14.878 ( 0.000 0.000 0.000) 0.000 15.031 ( 0.000 0.000 0.000) 0.000 15.388 ( 0.000 0.000 0.000) 0.000 15.388 ( 0.000 0.000 0.000) 0.000 15.572 ( 0.000 0.000 0.000) 0.000 15.656 ( 0.000 0.000 0.000) 0.000 16.169 ( 0.000 0.000 0.000) 0.000 16.457 ( 0.000 0.000 0.000) 0.000 16.457 ( 0.000 0.000 0.000) 0.000 17.018 ( 0.000 0.000 0.000) 0.000 17.018 ( 0.000 0.000 0.000) 0.000 17.363 ( 0.000 0.000 0.000) 0.000 17.480 ( 0.000 0.000 0.000) 0.000 17.535 ( 0.000 0.000 0.000) 0.000 17.543 ( 0.000 0.000 0.000) 0.000 17.543 ( 0.000 0.000 0.000) 0.000 18.054 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/32) ======================= q-point: ( 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 21.544 12.438 3.505) 25.122 0.650 ( 29.591 17.084 6.178) 34.723 0.959 ( 43.210 24.948 -5.455) 50.192 2.366 ( -4.659 -2.690 3.621) 6.484 2.424 ( -1.099 -0.634 -2.298) 2.625 2.745 ( -4.768 -2.753 1.467) 5.697 2.782 ( 2.105 1.216 -0.795) 2.558 2.821 ( 3.150 1.818 -1.731) 4.028 2.829 ( -1.084 -0.626 0.391) 1.311 3.037 ( -11.902 -6.872 0.765) 13.765 3.424 ( -11.175 -6.452 -8.080) 15.224 3.467 ( -1.226 -0.708 0.885) 1.670 3.477 ( -2.540 -1.466 0.412) 2.962 3.505 ( -3.208 -1.852 -0.895) 3.811 3.554 ( 2.433 1.405 2.183) 3.558 3.604 ( 4.960 2.864 9.397) 11.005 3.655 ( -7.063 -4.078 3.776) 8.987 3.685 ( -0.894 -0.516 -12.589) 12.632 3.783 ( 4.288 2.476 0.865) 5.026 3.860 ( 2.919 1.685 0.167) 3.375 3.959 ( 0.869 0.502 4.999) 5.099 4.050 ( 3.236 1.868 -4.491) 5.842 4.061 ( -1.855 -1.071 -2.011) 2.938 4.143 ( 5.877 3.393 -0.185) 6.789 4.146 ( 2.558 1.477 4.434) 5.328 4.176 ( 10.126 5.846 -0.317) 11.697 4.254 ( 2.575 1.487 -0.514) 3.018 4.328 ( 4.942 2.853 -0.618) 5.740 4.369 ( 2.985 1.724 -1.636) 3.816 4.403 ( 5.059 2.921 0.912) 5.912 4.606 ( -2.815 -1.625 -8.345) 8.956 4.617 ( -5.575 -3.219 2.041) 6.753 4.650 ( 1.795 1.037 1.504) 2.561 4.711 ( -2.475 -1.429 5.809) 6.474 4.820 ( -3.182 -1.837 8.168) 8.956 4.822 ( -1.882 -1.087 -4.419) 4.924 4.944 ( 2.443 1.410 -1.412) 3.155 5.011 ( -1.862 -1.075 -1.338) 2.532 5.118 ( 0.316 0.182 -0.514) 0.630 5.122 ( -9.451 -5.457 -2.992) 11.316 5.157 ( -2.556 -1.476 4.757) 5.599 5.212 ( 3.066 1.770 -0.926) 3.659 5.221 ( 0.594 0.343 0.150) 0.702 5.439 ( -0.642 -0.371 3.077) 3.166 5.458 ( 0.160 0.093 -3.144) 3.149 5.599 ( 4.493 2.594 -1.268) 5.341 5.667 ( 7.830 4.521 1.504) 9.165 5.836 ( -3.438 -1.985 -1.284) 4.173 5.982 ( -0.821 -0.474 1.965) 2.182 5.992 ( -4.378 -2.528 -7.222) 8.815 6.020 ( -1.772 -1.023 0.120) 2.050 6.062 ( -0.764 -0.441 0.018) 0.883 6.073 ( 5.101 2.945 6.536) 8.799 6.247 ( -0.129 -0.075 -0.643) 0.660 6.271 ( -18.057 -10.425 1.620) 20.913 6.301 ( 0.277 0.160 -2.464) 2.485 6.363 ( 5.370 3.100 -0.750) 6.245 6.373 ( 0.075 0.043 1.158) 1.162 6.658 ( -9.554 -5.516 4.952) 12.092 6.784 ( -2.256 -1.303 -0.818) 2.731 6.791 ( -5.246 -3.029 -0.722) 6.101 6.813 ( -13.400 -7.737 -2.506) 15.675 6.816 ( -2.070 -1.195 -2.527) 3.478 6.955 ( -0.768 -0.443 -3.217) 3.337 7.049 ( -2.614 -1.509 3.269) 4.449 7.074 ( 5.625 3.248 0.567) 6.520 7.345 ( 2.403 1.387 -0.472) 2.814 7.397 ( -1.851 -1.069 2.626) 3.386 7.427 ( 1.701 0.982 1.646) 2.563 7.431 ( -19.034 -10.989 0.829) 21.995 7.510 ( -11.989 -6.922 -0.602) 13.857 7.548 ( -3.249 -1.876 2.370) 4.438 7.632 ( -10.321 -5.959 -1.954) 12.076 7.684 ( -3.531 -2.039 0.372) 4.095 7.832 ( 0.887 0.512 0.677) 1.227 7.849 ( 4.031 2.327 1.856) 5.011 7.892 ( 9.457 5.460 -7.656) 13.337 8.006 ( -0.803 -0.464 1.249) 1.556 8.055 ( -3.995 -2.307 -3.283) 5.662 8.099 ( 0.139 0.080 1.396) 1.405 8.184 ( 0.609 0.351 -0.919) 1.157 8.243 ( -3.444 -1.988 3.473) 5.280 8.310 ( -4.043 -2.334 1.553) 4.921 8.391 ( 4.817 2.781 -3.558) 6.603 8.401 ( -1.824 -1.053 5.353) 5.752 8.461 ( -5.441 -3.142 -6.017) 8.700 8.498 ( 1.677 0.968 6.705) 6.979 8.593 ( 0.852 0.492 -3.002) 3.159 8.687 ( 2.737 1.580 0.810) 3.262 8.749 ( 1.409 0.813 -1.849) 2.463 8.876 ( -2.487 -1.436 0.771) 2.973 9.138 ( -4.373 -2.525 5.233) 7.272 9.148 ( -8.671 -5.006 -4.011) 10.786 9.167 ( 0.857 0.495 0.838) 1.296 9.190 ( 1.222 0.705 -0.377) 1.460 9.267 ( -2.999 -1.732 -1.024) 3.611 9.278 ( 0.637 0.368 -0.716) 1.027 9.404 ( 3.116 1.799 -1.794) 4.020 9.407 ( 1.118 0.646 -0.077) 1.294 9.459 ( 3.548 2.049 -6.427) 7.622 9.482 ( -0.492 -0.284 4.096) 4.135 9.577 ( 8.805 5.084 1.936) 10.350 9.806 ( -7.307 -4.219 2.957) 8.941 9.815 ( -3.466 -2.001 -2.770) 4.867 9.867 ( 9.678 5.587 -2.198) 11.389 9.894 ( 5.908 3.411 0.461) 6.837 10.034 ( -0.335 -0.193 2.682) 2.709 10.106 ( 1.779 1.027 -2.507) 3.241 10.236 ( 10.063 5.810 3.013) 12.004 10.367 ( -1.228 -0.709 2.128) 2.557 10.410 ( -10.356 -5.979 3.975) 12.602 10.437 ( -4.438 -2.562 -2.433) 5.673 10.451 ( -0.474 -0.273 -5.030) 5.060 10.578 ( -2.479 -1.431 0.115) 2.865 10.697 ( 0.224 0.130 -2.845) 2.856 10.792 ( 5.178 2.990 2.958) 6.671 10.872 ( 1.399 0.808 4.801) 5.065 10.938 ( -2.758 -1.592 1.271) 3.429 10.945 ( -3.383 -1.953 -2.894) 4.862 11.104 ( -1.333 -0.769 0.067) 1.540 11.135 ( -1.364 -0.788 -3.899) 4.205 11.307 ( -0.942 -0.544 1.741) 2.053 11.454 ( -4.600 -2.656 -0.917) 5.390 11.521 ( 1.092 0.630 1.213) 1.749 11.542 ( -1.188 -0.686 0.153) 1.381 11.674 ( -1.615 -0.932 0.985) 2.109 11.678 ( 0.093 0.054 -0.591) 0.601 11.761 ( -0.464 -0.268 -1.148) 1.267 11.817 ( 5.030 2.904 0.098) 5.809 11.834 ( -7.988 -4.612 2.829) 9.647 11.974 ( 1.554 0.897 -1.932) 2.637 12.134 ( 0.173 0.100 -4.143) 4.148 12.184 ( -1.926 -1.112 -1.083) 2.474 12.224 ( 4.627 2.672 0.332) 5.353 12.227 ( 6.387 3.687 1.336) 7.495 12.297 ( -1.281 -0.740 -0.920) 1.742 12.313 ( 1.123 0.649 5.272) 5.429 12.428 ( 0.612 0.353 -6.498) 6.536 12.433 ( 0.783 0.452 10.855) 10.892 12.490 ( -0.923 -0.533 -2.515) 2.731 12.544 ( 5.310 3.066 1.136) 6.236 12.584 ( 6.714 3.876 -5.191) 9.330 12.761 ( 3.000 1.732 0.734) 3.541 12.766 ( 2.231 1.288 -1.150) 2.821 12.862 ( 4.841 2.795 -0.101) 5.591 12.880 ( 5.791 3.343 -0.717) 6.725 13.117 ( -1.124 -0.649 4.343) 4.533 13.215 ( 0.719 0.415 -4.246) 4.326 13.233 ( 3.984 2.300 1.201) 4.754 13.238 ( 6.661 3.846 -1.727) 7.883 13.448 ( 8.091 4.672 0.946) 9.391 13.471 ( 6.865 3.963 2.640) 8.355 13.731 ( 20.190 11.657 -2.687) 23.467 13.806 ( 7.911 4.567 -1.707) 9.293 13.859 ( 8.109 4.682 1.376) 9.464 13.891 ( 10.320 5.958 -2.374) 12.151 14.196 ( -11.410 -6.588 4.730) 13.999 14.247 ( 4.225 2.439 -0.058) 4.879 14.568 ( 0.509 0.294 -6.420) 6.447 14.592 ( -6.443 -3.720 3.309) 8.142 14.812 ( 7.967 4.600 3.339) 9.787 14.815 ( -0.953 -0.550 -0.264) 1.132 15.101 ( 7.352 4.245 -0.030) 8.489 15.240 ( 18.542 10.705 -1.996) 21.503 15.310 ( -5.115 -2.953 -3.262) 6.747 15.405 ( 1.601 0.924 4.072) 4.472 15.595 ( 0.888 0.513 1.079) 1.489 15.613 ( -3.731 -2.154 -0.868) 4.395 16.097 ( -5.894 -3.403 -0.841) 6.857 16.429 ( -2.500 -1.443 0.827) 3.003 16.455 ( -0.302 -0.175 -0.350) 0.495 16.850 ( -12.292 -7.097 3.660) 14.658 16.893 ( -10.162 -5.867 -1.540) 11.835 17.282 ( -9.184 -5.302 -9.316) 14.116 17.369 ( -9.825 -5.672 -0.026) 11.345 17.417 ( -4.820 -2.783 4.545) 7.185 17.587 ( 3.096 1.788 0.379) 3.595 17.600 ( 8.462 4.885 3.117) 10.256 17.961 ( -8.348 -4.820 0.032) 9.640 19.119 ( -6.763 -3.905 -0.451) 7.823 ======================= Grid point 2 (3/32) ======================= q-point: ( 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 22.659 13.082 5.770) 26.793 1.285 ( 28.460 16.432 6.118) 33.428 1.823 ( 30.888 17.833 -5.561) 36.097 2.280 ( -2.767 -1.598 7.845) 8.471 2.367 ( -3.199 -1.847 -1.573) 4.015 2.584 ( -6.835 -3.946 -4.970) 9.327 2.722 ( -9.197 -5.310 2.317) 10.870 2.803 ( -3.873 -2.236 -5.541) 7.120 2.831 ( -3.108 -1.794 2.779) 4.539 2.901 ( 2.443 1.411 2.560) 3.810 3.095 ( -11.480 -6.628 -4.700) 14.065 3.401 ( -3.969 -2.291 1.802) 4.924 3.418 ( -2.209 -1.276 -5.708) 6.252 3.460 ( -5.508 -3.180 5.807) 8.612 3.512 ( 1.244 0.718 -4.434) 4.661 3.641 ( -0.832 -0.480 -1.675) 1.931 3.730 ( 7.702 4.447 -1.127) 8.964 3.817 ( 8.856 5.113 1.339) 10.314 3.888 ( 4.782 2.761 -2.676) 6.137 3.900 ( 0.550 0.318 -0.834) 1.049 4.021 ( -3.157 -1.823 -1.203) 3.839 4.027 ( 5.454 3.149 1.540) 6.484 4.135 ( 4.341 2.506 -1.816) 5.331 4.214 ( -0.104 -0.060 0.957) 0.964 4.234 ( 4.590 2.650 7.721) 9.365 4.335 ( 2.762 1.594 0.421) 3.217 4.368 ( 7.965 4.598 -1.595) 9.334 4.373 ( -0.835 -0.482 1.340) 1.651 4.450 ( 6.058 3.497 -4.052) 8.084 4.466 ( 1.302 0.751 -2.943) 3.304 4.531 ( -2.886 -1.666 -6.851) 7.619 4.582 ( 1.473 0.850 -1.120) 2.036 4.639 ( -5.962 -3.442 9.642) 11.848 4.739 ( -1.863 -1.076 5.272) 5.694 4.754 ( 7.237 4.178 6.991) 10.896 4.783 ( -0.847 -0.489 -5.042) 5.136 4.850 ( -8.092 -4.672 1.204) 9.421 4.880 ( -9.318 -5.380 0.886) 10.796 5.000 ( -1.216 -0.702 -3.030) 3.340 5.068 ( 0.675 0.390 0.755) 1.085 5.211 ( -1.821 -1.052 0.330) 2.129 5.281 ( 4.066 2.347 -0.859) 4.773 5.297 ( 5.370 3.100 -0.245) 6.205 5.389 ( -6.384 -3.686 -1.999) 7.638 5.394 ( -4.674 -2.698 4.165) 6.817 5.637 ( -2.668 -1.540 1.371) 3.372 5.765 ( -13.808 -7.972 -4.047) 16.450 5.833 ( 4.297 2.481 -5.720) 7.572 5.861 ( 7.351 4.244 4.501) 9.608 5.923 ( -1.008 -0.582 -5.331) 5.457 5.930 ( -5.403 -3.119 -1.496) 6.415 6.046 ( -0.025 -0.015 9.695) 9.695 6.094 ( 0.101 0.058 -0.727) 0.736 6.109 ( -4.206 -2.428 -1.177) 4.998 6.254 ( -0.388 -0.224 0.613) 0.760 6.299 ( -0.931 -0.537 -4.888) 5.005 6.319 ( -8.055 -4.651 4.511) 10.337 6.364 ( -1.104 -0.637 1.780) 2.190 6.550 ( -0.211 -0.122 4.470) 4.477 6.632 ( -0.563 -0.325 -1.486) 1.621 6.646 ( -7.444 -4.298 -0.384) 8.604 6.739 ( -2.944 -1.700 0.547) 3.443 6.791 ( 0.045 0.026 -0.635) 0.637 6.904 ( -3.906 -2.255 -5.732) 7.294 6.976 ( -2.824 -1.631 5.535) 6.424 7.039 ( -9.962 -5.751 -2.788) 11.836 7.139 ( -7.406 -4.276 -1.611) 8.702 7.230 ( -7.421 -4.285 -3.400) 9.219 7.284 ( -8.782 -5.070 0.731) 10.167 7.339 ( -0.935 -0.540 0.301) 1.121 7.396 ( 0.982 0.567 -0.737) 1.352 7.469 ( -2.052 -1.185 5.582) 6.064 7.539 ( -1.767 -1.020 -0.258) 2.057 7.724 ( 2.990 1.726 -0.772) 3.537 7.761 ( -6.761 -3.904 2.064) 8.076 7.847 ( -6.861 -3.961 -0.246) 7.927 7.946 ( -3.214 -1.855 -0.148) 3.714 7.987 ( -3.113 -1.797 1.021) 3.736 8.024 ( 1.640 0.947 -5.425) 5.747 8.037 ( -3.309 -1.911 3.853) 5.427 8.151 ( -0.989 -0.571 -2.277) 2.547 8.152 ( -3.088 -1.783 -1.751) 3.973 8.289 ( 3.871 2.235 5.663) 7.214 8.358 ( -4.250 -2.454 -8.961) 10.217 8.376 ( 0.594 0.343 2.319) 2.418 8.451 ( -0.912 -0.527 3.738) 3.883 8.603 ( 3.994 2.306 5.055) 6.843 8.626 ( 2.596 1.499 -6.063) 6.764 8.742 ( 1.639 0.946 0.252) 1.910 8.749 ( -1.767 -1.020 2.238) 3.028 8.802 ( -1.388 -0.801 -4.269) 4.560 8.961 ( -7.257 -4.190 -4.719) 9.617 9.056 ( -2.045 -1.181 3.478) 4.204 9.150 ( -3.052 -1.762 6.764) 7.627 9.219 ( 0.674 0.389 0.676) 1.031 9.261 ( 1.854 1.070 0.447) 2.187 9.369 ( 5.970 3.447 -0.483) 6.910 9.400 ( -1.568 -0.905 -7.562) 7.776 9.480 ( 3.516 2.030 -1.141) 4.217 9.492 ( 1.817 1.049 1.416) 2.531 9.524 ( 2.252 1.300 -0.687) 2.689 9.676 ( -0.867 -0.500 -0.494) 1.116 9.687 ( -3.053 -1.763 1.994) 4.050 9.741 ( -0.026 -0.015 -2.993) 2.993 9.982 ( -4.965 -2.866 6.226) 8.463 10.016 ( -3.523 -2.034 -0.677) 4.124 10.023 ( 4.201 2.425 2.341) 5.386 10.180 ( -7.511 -4.336 0.941) 8.724 10.200 ( 11.192 6.462 1.425) 13.002 10.296 ( -5.206 -3.005 -3.004) 6.720 10.356 ( 0.166 0.096 -0.553) 0.585 10.446 ( 7.401 4.273 2.141) 8.810 10.500 ( 2.820 1.628 -5.743) 6.602 10.534 ( -0.868 -0.501 0.885) 1.337 10.745 ( 3.803 2.196 3.379) 5.541 10.844 ( -1.570 -0.907 2.082) 2.761 10.847 ( -1.942 -1.121 1.795) 2.873 10.876 ( -1.463 -0.845 -2.291) 2.847 10.947 ( 2.526 1.458 1.559) 3.307 11.086 ( 0.134 0.077 -4.101) 4.104 11.110 ( -0.466 -0.269 -2.496) 2.554 11.272 ( -2.404 -1.388 -1.906) 3.368 11.370 ( -2.735 -1.579 -1.755) 3.613 11.503 ( -1.195 -0.690 -0.075) 1.381 11.563 ( 0.324 0.187 2.176) 2.208 11.612 ( -1.278 -0.738 2.818) 3.181 11.673 ( -1.567 -0.905 0.226) 1.824 11.673 ( -5.854 -3.380 0.320) 6.767 11.764 ( -0.465 -0.268 -0.342) 0.637 11.928 ( 4.348 2.510 -0.060) 5.021 12.041 ( 3.798 2.193 1.480) 4.629 12.109 ( -0.555 -0.320 -0.163) 0.661 12.153 ( -4.126 -2.382 0.668) 4.811 12.281 ( 4.443 2.565 2.561) 5.733 12.308 ( 3.425 1.978 2.144) 4.499 12.373 ( 2.355 1.360 1.609) 3.160 12.373 ( 6.163 3.558 -0.114) 7.117 12.419 ( -1.000 -0.577 -5.700) 5.816 12.480 ( 0.333 0.192 -4.566) 4.582 12.504 ( 4.531 2.616 6.826) 8.600 12.636 ( -0.184 -0.106 -2.383) 2.392 12.658 ( 3.692 2.132 -0.081) 4.264 12.818 ( 2.113 1.220 -1.878) 3.078 12.831 ( 1.819 1.050 1.935) 2.856 13.040 ( 6.589 3.804 -0.731) 7.643 13.060 ( 9.054 5.228 -3.853) 11.142 13.205 ( 9.160 5.289 3.728) 11.215 13.226 ( -0.075 -0.043 -2.973) 2.974 13.287 ( 2.515 1.452 1.929) 3.487 13.415 ( 8.418 4.860 -7.209) 12.102 13.634 ( 6.723 3.882 5.881) 9.739 13.722 ( 14.872 8.586 2.198) 17.313 13.738 ( -9.530 -5.502 -3.485) 11.543 14.018 ( 9.892 5.711 -0.973) 11.463 14.118 ( 13.850 7.996 -4.969) 16.747 14.120 ( 11.496 6.637 0.732) 13.295 14.222 ( 0.343 0.198 9.040) 9.049 14.347 ( 3.834 2.214 -0.900) 4.518 14.549 ( -1.823 -1.052 -7.015) 7.324 14.694 ( 16.449 9.497 5.410) 19.749 14.822 ( 2.010 1.160 -0.627) 2.404 14.897 ( 1.425 0.823 0.369) 1.686 15.260 ( 1.304 0.753 -3.488) 3.799 15.365 ( 8.415 4.858 2.655) 10.073 15.423 ( 4.604 2.658 5.756) 7.835 15.511 ( -1.367 -0.790 -7.899) 8.056 15.550 ( 1.855 1.071 -4.212) 4.726 15.652 ( 9.576 5.528 12.821) 16.930 15.975 ( -3.015 -1.741 -6.324) 7.219 16.349 ( -5.012 -2.894 2.426) 6.275 16.406 ( -7.245 -4.183 -1.050) 8.432 16.570 ( -11.630 -6.715 2.325) 13.629 16.676 ( -5.034 -2.906 -1.300) 5.956 16.992 ( -16.772 -9.683 -4.374) 19.854 17.083 ( -15.263 -8.812 -0.328) 17.627 17.239 ( -10.176 -5.875 1.890) 11.901 17.636 ( -0.995 -0.574 0.315) 1.191 17.719 ( -11.007 -6.355 0.194) 12.711 17.831 ( 11.553 6.670 2.163) 13.515 18.918 ( -11.083 -6.398 -0.831) 12.824 ======================= Grid point 3 (4/32) ======================= q-point: ( 0.43 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 22.026 12.717 8.100) 26.692 1.884 ( 26.169 15.109 5.887) 30.785 1.892 ( -15.626 -9.022 -8.289) 19.857 2.246 ( -0.729 -0.421 5.097) 5.166 2.299 ( -5.818 -3.359 0.683) 6.753 2.435 ( -22.582 -13.038 -5.943) 26.744 2.538 ( 0.552 0.319 -0.204) 0.669 2.817 ( -0.323 -0.186 2.068) 2.102 2.920 ( 10.730 6.195 2.145) 12.575 2.997 ( 17.680 10.208 -6.439) 21.407 3.008 ( -0.661 -0.382 -3.840) 3.915 3.336 ( -1.027 -0.593 1.932) 2.267 3.378 ( -1.875 -1.082 2.781) 3.524 3.413 ( 2.215 1.279 -0.041) 2.558 3.492 ( -3.428 -1.979 -4.649) 6.106 3.621 ( -0.481 -0.278 -0.968) 1.116 3.741 ( -19.553 -11.289 3.406) 22.833 3.885 ( 3.034 1.752 -0.854) 3.606 3.905 ( 0.050 0.029 -0.397) 0.401 3.908 ( 0.937 0.541 -0.665) 1.270 4.041 ( 6.590 3.805 -0.808) 7.652 4.156 ( 5.369 3.100 -4.536) 7.681 4.240 ( 3.877 2.238 1.908) 4.866 4.267 ( -2.096 -1.210 1.775) 3.001 4.275 ( 5.513 3.183 -2.532) 6.851 4.284 ( 0.159 0.092 6.561) 6.563 4.418 ( -7.130 -4.116 1.032) 8.297 4.426 ( -0.209 -0.121 -1.744) 1.761 4.494 ( 1.476 0.852 -0.570) 1.797 4.522 ( 4.951 2.858 -4.609) 7.343 4.541 ( -0.596 -0.344 2.477) 2.571 4.634 ( -1.997 -1.153 2.314) 3.267 4.648 ( 5.632 3.251 -1.309) 6.633 4.673 ( 0.823 0.475 1.031) 1.403 4.676 ( -2.123 -1.226 -0.244) 2.464 4.775 ( 0.349 0.201 -1.708) 1.755 4.787 ( 1.020 0.589 0.598) 1.320 4.927 ( 5.155 2.976 3.770) 7.046 4.977 ( -3.232 -1.866 -2.127) 4.295 5.059 ( -11.449 -6.610 4.110) 13.844 5.104 ( 0.556 0.321 0.343) 0.728 5.233 ( -3.240 -1.871 -2.186) 4.333 5.281 ( -0.900 -0.520 2.464) 2.675 5.290 ( -0.160 -0.092 -2.899) 2.905 5.378 ( -1.553 -0.897 2.553) 3.120 5.573 ( -1.188 -0.686 1.715) 2.196 5.622 ( -0.565 -0.326 -3.598) 3.657 5.761 ( -7.369 -4.254 0.323) 8.515 5.821 ( -3.860 -2.229 -5.346) 6.960 6.012 ( 3.885 2.243 2.746) 5.259 6.031 ( 0.732 0.422 -1.546) 1.761 6.055 ( 0.511 0.295 5.779) 5.809 6.064 ( 9.050 5.225 -2.749) 10.806 6.102 ( -3.638 -2.101 4.144) 5.901 6.134 ( 3.764 2.173 0.331) 4.358 6.252 ( -3.479 -2.009 -4.917) 6.349 6.271 ( -5.687 -3.283 0.878) 6.625 6.376 ( 2.317 1.338 -0.909) 2.825 6.500 ( -4.240 -2.448 3.175) 5.836 6.577 ( 0.503 0.291 -0.072) 0.586 6.598 ( -1.045 -0.603 -1.679) 2.067 6.709 ( -8.655 -4.997 -1.645) 10.128 6.717 ( -0.596 -0.344 3.907) 3.967 6.781 ( -1.536 -0.887 0.918) 1.997 6.934 ( -1.212 -0.700 -1.188) 1.836 6.935 ( -1.571 -0.907 9.088) 9.267 6.962 ( -5.431 -3.135 -9.739) 11.584 7.221 ( 5.204 3.005 -1.116) 6.112 7.222 ( 2.173 1.255 -1.132) 2.753 7.353 ( -0.875 -0.505 -5.181) 5.278 7.405 ( 2.720 1.571 -1.578) 3.515 7.478 ( -1.612 -0.931 0.429) 1.910 7.512 ( -0.742 -0.428 -2.491) 2.634 7.613 ( -10.435 -6.025 8.347) 14.658 7.655 ( -2.197 -1.269 1.786) 3.103 7.739 ( 2.198 1.269 6.394) 6.880 7.847 ( -3.917 -2.261 -0.927) 4.617 7.862 ( -5.898 -3.405 -4.366) 8.090 8.018 ( -1.936 -1.118 -1.265) 2.569 8.081 ( 2.682 1.549 -0.834) 3.207 8.128 ( 0.315 0.182 -1.842) 1.878 8.181 ( 3.461 1.998 0.999) 4.120 8.274 ( -2.547 -1.470 -3.203) 4.348 8.325 ( -1.832 -1.058 1.857) 2.815 8.385 ( -3.819 -2.205 0.714) 4.467 8.411 ( 2.359 1.362 0.928) 2.877 8.633 ( 0.578 0.334 1.252) 1.419 8.708 ( 4.025 2.324 -2.556) 5.305 8.715 ( -0.952 -0.550 0.353) 1.154 8.761 ( 1.120 0.646 -1.659) 2.103 8.843 ( -4.481 -2.587 -0.483) 5.197 8.848 ( 2.806 1.620 -0.947) 3.376 9.025 ( -1.039 -0.600 1.166) 1.673 9.073 ( -2.709 -1.564 4.487) 5.469 9.224 ( -0.039 -0.023 0.366) 0.369 9.297 ( 1.050 0.606 1.655) 2.051 9.358 ( -1.630 -0.941 -3.952) 4.378 9.453 ( 1.244 0.718 -0.219) 1.453 9.528 ( 0.898 0.519 -0.236) 1.064 9.557 ( 3.118 1.800 0.356) 3.618 9.570 ( 1.653 0.954 1.286) 2.301 9.641 ( -1.139 -0.658 0.545) 1.424 9.670 ( 0.918 0.530 -2.487) 2.703 9.742 ( -0.494 -0.285 -3.254) 3.304 9.830 ( -5.650 -3.262 5.519) 8.546 9.943 ( -1.946 -1.123 -0.133) 2.251 10.088 ( 1.134 0.655 5.370) 5.527 10.108 ( -0.581 -0.335 -4.940) 4.986 10.219 ( -1.339 -0.773 -1.462) 2.128 10.325 ( -1.329 -0.767 -0.909) 1.783 10.354 ( 2.468 1.425 1.496) 3.219 10.529 ( 0.043 0.025 0.128) 0.137 10.554 ( 1.587 0.916 -2.456) 3.064 10.643 ( 7.980 4.607 4.210) 10.131 10.790 ( 0.180 0.104 2.108) 2.118 10.795 ( -1.487 -0.858 0.344) 1.751 10.835 ( 0.412 0.238 0.690) 0.838 10.840 ( -2.633 -1.520 -2.891) 4.195 11.010 ( 2.138 1.234 0.865) 2.616 11.113 ( 1.744 1.007 -4.228) 4.683 11.127 ( 2.342 1.352 1.180) 2.950 11.203 ( -3.748 -2.164 -3.577) 5.615 11.349 ( 0.784 0.453 0.074) 0.908 11.503 ( 0.741 0.428 -5.606) 5.671 11.528 ( -0.931 -0.538 2.562) 2.779 11.550 ( -3.030 -1.749 -2.120) 4.091 11.590 ( -4.329 -2.500 4.727) 6.880 11.672 ( 1.799 1.039 2.051) 2.919 11.731 ( -2.306 -1.331 2.061) 3.367 11.988 ( 0.976 0.563 0.158) 1.138 12.040 ( -2.225 -1.285 0.834) 2.701 12.117 ( 2.418 1.396 1.542) 3.190 12.178 ( 3.334 1.925 0.843) 3.941 12.358 ( 0.219 0.127 1.537) 1.558 12.377 ( 0.639 0.369 0.175) 0.758 12.399 ( 3.453 1.994 1.359) 4.213 12.424 ( -0.061 -0.035 -4.098) 4.098 12.494 ( 0.734 0.424 -1.331) 1.578 12.502 ( 5.521 3.187 -2.921) 7.012 12.588 ( 2.774 1.602 4.593) 5.599 12.626 ( -0.386 -0.223 -0.707) 0.835 12.667 ( -2.549 -1.472 0.275) 2.957 12.840 ( -0.271 -0.156 -1.811) 1.837 12.843 ( -0.156 -0.090 1.058) 1.073 13.032 ( -3.936 -2.273 -1.947) 4.945 13.166 ( 1.880 1.085 -2.472) 3.290 13.290 ( 3.842 2.218 -2.010) 4.871 13.295 ( 1.238 0.715 4.296) 4.528 13.483 ( 8.289 4.785 -1.769) 9.733 13.533 ( 0.639 0.369 3.343) 3.423 13.605 ( 1.377 0.795 -9.492) 9.624 13.851 ( 7.465 4.310 6.280) 10.665 14.012 ( 10.096 5.829 2.458) 11.915 14.106 ( -3.275 -1.891 4.045) 5.537 14.166 ( 2.365 1.365 1.348) 3.045 14.299 ( 1.922 1.110 -5.128) 5.587 14.347 ( 1.517 0.876 0.577) 1.844 14.380 ( 0.299 0.173 -0.818) 0.888 14.540 ( 1.263 0.729 -4.262) 4.504 14.856 ( 8.234 4.754 0.582) 9.526 14.902 ( 4.478 2.586 0.151) 5.173 15.141 ( -5.406 -3.121 0.923) 6.310 15.232 ( -7.428 -4.289 3.077) 9.112 15.285 ( 14.349 8.284 -3.223) 16.879 15.460 ( 0.518 0.299 0.557) 0.818 15.570 ( 2.528 1.460 1.034) 3.097 15.752 ( -2.729 -1.575 7.474) 8.111 15.902 ( 20.798 12.008 -2.314) 24.126 16.003 ( 2.808 1.621 -5.714) 6.570 16.150 ( -9.813 -5.665 -2.392) 11.580 16.229 ( -3.008 -1.737 4.755) 5.888 16.387 ( -7.602 -4.389 -1.419) 8.892 16.598 ( -15.807 -9.126 -1.588) 18.321 16.737 ( 4.018 2.320 4.426) 6.412 16.790 ( -6.730 -3.886 -4.501) 8.981 17.040 ( -6.042 -3.488 0.736) 7.015 17.390 ( -11.249 -6.494 0.339) 12.993 17.688 ( 0.559 0.323 0.102) 0.654 18.064 ( 8.013 4.627 1.086) 9.317 18.684 ( -8.212 -4.741 -0.705) 9.509 ======================= Grid point 8 (5/32) ======================= q-point: ( 0.14 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 12.128 21.007 0.000) 24.257 1.146 ( 17.323 30.003 0.000) 34.645 1.612 ( 21.667 37.528 0.000) 43.334 2.285 ( -2.197 -3.805 0.000) 4.394 2.433 ( 0.526 0.912 0.000) 1.053 2.602 ( -5.766 -9.986 0.000) 11.531 2.739 ( -6.158 -10.665 0.000) 12.315 2.848 ( 0.045 0.077 0.000) 0.089 2.864 ( -3.190 -5.525 0.000) 6.380 2.871 ( 2.273 3.937 0.000) 4.546 3.295 ( -8.579 -14.860 0.000) 17.159 3.307 ( -5.913 -10.241 0.000) 11.825 3.448 ( -0.651 -1.127 0.000) 1.302 3.459 ( -0.511 -0.884 0.000) 1.021 3.516 ( -0.221 -0.382 0.000) 0.441 3.629 ( 3.076 5.328 0.000) 6.153 3.669 ( 0.581 1.007 0.000) 1.163 3.790 ( 5.400 9.353 0.000) 10.800 3.883 ( 3.287 5.693 0.000) 6.573 3.907 ( 1.852 3.208 0.000) 3.704 3.974 ( -0.228 -0.395 0.000) 0.456 4.042 ( 2.593 4.492 0.000) 5.187 4.148 ( 2.213 3.833 0.000) 4.426 4.160 ( 1.491 2.582 0.000) 2.981 4.253 ( 1.794 3.108 0.000) 3.589 4.284 ( 3.822 6.620 0.000) 7.644 4.344 ( 2.662 4.610 0.000) 5.323 4.365 ( 1.092 1.891 0.000) 2.183 4.423 ( 1.779 3.082 0.000) 3.559 4.447 ( 0.163 0.283 0.000) 0.327 4.568 ( 0.355 0.615 0.000) 0.710 4.588 ( -1.824 -3.160 0.000) 3.649 4.600 ( -3.322 -5.753 0.000) 6.643 4.715 ( 3.106 5.380 0.000) 6.213 4.762 ( -2.487 -4.308 0.000) 4.975 4.796 ( -0.581 -1.007 0.000) 1.162 4.909 ( -7.122 -12.335 0.000) 14.244 4.946 ( -2.901 -5.025 0.000) 5.803 4.968 ( -1.648 -2.855 0.000) 3.297 5.084 ( 0.315 0.545 0.000) 0.630 5.209 ( -1.124 -1.947 0.000) 2.248 5.259 ( 1.494 2.588 0.000) 2.988 5.263 ( 4.879 8.451 0.000) 9.758 5.408 ( -1.147 -1.987 0.000) 2.294 5.480 ( -0.549 -0.951 0.000) 1.098 5.642 ( -0.417 -0.722 0.000) 0.834 5.748 ( 1.408 2.439 0.000) 2.816 5.803 ( -0.276 -0.479 0.000) 0.553 5.886 ( -8.187 -14.180 0.000) 16.373 5.904 ( -1.722 -2.982 0.000) 3.443 5.965 ( -2.389 -4.138 0.000) 4.778 6.070 ( 1.422 2.464 0.000) 2.845 6.099 ( -0.947 -1.640 0.000) 1.893 6.148 ( 1.886 3.266 0.000) 3.771 6.211 ( -1.521 -2.634 0.000) 3.042 6.339 ( -2.645 -4.580 0.000) 5.289 6.372 ( -1.486 -2.574 0.000) 2.972 6.382 ( 2.033 3.521 0.000) 4.065 6.542 ( -1.521 -2.634 0.000) 3.042 6.674 ( -2.782 -4.818 0.000) 5.563 6.688 ( -3.826 -6.627 0.000) 7.652 6.706 ( -1.860 -3.221 0.000) 3.720 6.876 ( -1.629 -2.821 0.000) 3.258 6.915 ( -0.459 -0.796 0.000) 0.919 6.971 ( -1.394 -2.414 0.000) 2.788 7.040 ( -4.729 -8.190 0.000) 9.457 7.227 ( -4.838 -8.380 0.000) 9.677 7.250 ( -5.037 -8.724 0.000) 10.074 7.320 ( -5.036 -8.723 0.000) 10.073 7.342 ( -2.164 -3.748 0.000) 4.328 7.413 ( -0.806 -1.396 0.000) 1.612 7.453 ( -3.877 -6.714 0.000) 7.753 7.598 ( 2.706 4.687 0.000) 5.412 7.756 ( -4.509 -7.810 0.000) 9.019 7.792 ( -0.204 -0.353 0.000) 0.408 7.795 ( -0.644 -1.115 0.000) 1.287 7.964 ( 0.405 0.701 0.000) 0.810 7.994 ( 0.368 0.637 0.000) 0.736 8.029 ( -3.591 -6.219 0.000) 7.181 8.103 ( -0.285 -0.494 0.000) 0.571 8.130 ( -3.091 -5.353 0.000) 6.181 8.179 ( -0.731 -1.267 0.000) 1.463 8.285 ( -0.304 -0.527 0.000) 0.608 8.355 ( -2.003 -3.469 0.000) 4.005 8.392 ( -0.926 -1.605 0.000) 1.853 8.408 ( 0.584 1.012 0.000) 1.168 8.596 ( 1.781 3.084 0.000) 3.562 8.617 ( 1.010 1.749 0.000) 2.019 8.677 ( -0.337 -0.583 0.000) 0.674 8.770 ( 1.114 1.929 0.000) 2.227 8.848 ( -1.601 -2.774 0.000) 3.203 9.034 ( -3.113 -5.392 0.000) 6.226 9.062 ( -1.938 -3.356 0.000) 3.875 9.200 ( 0.875 1.515 0.000) 1.749 9.212 ( 1.154 1.998 0.000) 2.307 9.244 ( -0.131 -0.227 0.000) 0.262 9.299 ( 1.506 2.608 0.000) 3.011 9.407 ( 0.254 0.439 0.000) 0.507 9.447 ( 0.706 1.223 0.000) 1.412 9.481 ( 0.319 0.552 0.000) 0.637 9.525 ( 2.058 3.564 0.000) 4.115 9.663 ( -3.285 -5.689 0.000) 6.569 9.712 ( 4.273 7.401 0.000) 8.547 9.772 ( -2.021 -3.500 0.000) 4.041 9.975 ( 1.550 2.685 0.000) 3.100 10.002 ( 0.006 0.011 0.000) 0.012 10.052 ( -2.813 -4.872 0.000) 5.626 10.130 ( 7.546 13.071 0.000) 15.093 10.251 ( -4.576 -7.926 0.000) 9.152 10.275 ( -2.255 -3.906 0.000) 4.510 10.378 ( -1.761 -3.049 0.000) 3.521 10.413 ( 3.254 5.636 0.000) 6.508 10.470 ( 3.240 5.611 0.000) 6.479 10.536 ( -1.279 -2.216 0.000) 2.559 10.732 ( -0.104 -0.180 0.000) 0.208 10.821 ( -0.657 -1.138 0.000) 1.314 10.880 ( 0.792 1.373 0.000) 1.585 10.905 ( 0.542 0.939 0.000) 1.085 10.922 ( -0.679 -1.176 0.000) 1.358 11.088 ( -0.024 -0.041 0.000) 0.048 11.112 ( -0.832 -1.441 0.000) 1.664 11.269 ( -1.320 -2.286 0.000) 2.640 11.467 ( 0.160 0.277 0.000) 0.320 11.490 ( -0.270 -0.467 0.000) 0.540 11.529 ( -1.150 -1.992 0.000) 2.300 11.630 ( -1.591 -2.755 0.000) 3.182 11.633 ( -1.701 -2.946 0.000) 3.402 11.680 ( -1.402 -2.429 0.000) 2.805 11.825 ( -2.480 -4.296 0.000) 4.961 11.907 ( 2.600 4.504 0.000) 5.201 12.027 ( 2.852 4.941 0.000) 5.705 12.132 ( 0.357 0.619 0.000) 0.715 12.140 ( -1.810 -3.136 0.000) 3.621 12.212 ( -1.651 -2.860 0.000) 3.303 12.319 ( 3.568 6.179 0.000) 7.135 12.321 ( 2.625 4.547 0.000) 5.250 12.379 ( 2.721 4.714 0.000) 5.443 12.412 ( -0.600 -1.040 0.000) 1.201 12.461 ( 1.187 2.056 0.000) 2.374 12.531 ( 0.376 0.651 0.000) 0.752 12.560 ( 1.178 2.041 0.000) 2.357 12.697 ( 2.293 3.972 0.000) 4.587 12.765 ( -0.669 -1.159 0.000) 1.339 12.819 ( 1.911 3.309 0.000) 3.821 12.982 ( 6.651 11.519 0.000) 13.301 13.004 ( 5.851 10.135 0.000) 11.703 13.148 ( 2.339 4.052 0.000) 4.678 13.235 ( 3.187 5.520 0.000) 6.374 13.366 ( 4.895 8.479 0.000) 9.790 13.418 ( 3.217 5.571 0.000) 6.433 13.554 ( 4.894 8.476 0.000) 9.787 13.602 ( 5.712 9.894 0.000) 11.425 13.760 ( -4.161 -7.207 0.000) 8.322 13.955 ( 6.004 10.399 0.000) 12.007 14.051 ( 7.783 13.481 0.000) 15.567 14.096 ( 2.685 4.651 0.000) 5.371 14.233 ( 10.613 18.382 0.000) 21.226 14.323 ( 2.722 4.714 0.000) 5.443 14.483 ( -2.112 -3.659 0.000) 4.225 14.640 ( 3.541 6.133 0.000) 7.082 14.808 ( 0.278 0.481 0.000) 0.556 14.917 ( 2.937 5.088 0.000) 5.875 15.190 ( -3.844 -6.658 0.000) 7.688 15.280 ( 8.651 14.983 0.000) 17.301 15.494 ( 4.300 7.449 0.000) 8.601 15.526 ( 9.250 16.021 0.000) 18.500 15.528 ( -3.913 -6.777 0.000) 7.826 15.571 ( -2.134 -3.696 0.000) 4.268 16.001 ( -3.062 -5.303 0.000) 6.123 16.369 ( -3.052 -5.287 0.000) 6.104 16.439 ( -1.580 -2.736 0.000) 3.159 16.647 ( -7.215 -12.496 0.000) 14.430 16.712 ( -5.428 -9.402 0.000) 10.857 17.150 ( -7.415 -12.844 0.000) 14.831 17.169 ( -8.515 -14.749 0.000) 17.030 17.212 ( -7.679 -13.301 0.000) 15.358 17.661 ( 3.212 5.563 0.000) 6.424 17.751 ( 2.113 3.660 0.000) 4.227 17.797 ( -4.095 -7.093 0.000) 8.190 18.976 ( -6.248 -10.822 0.000) 12.496 ======================= Grid point 9 (6/32) ======================= q-point: ( 0.29 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 18.391 15.656 3.994) 24.481 1.717 ( 19.178 26.338 3.339) 32.751 1.971 ( -3.889 -5.934 -3.475) 7.900 2.299 ( -2.866 2.571 4.030) 5.574 2.393 ( -8.047 -4.273 0.964) 9.162 2.509 ( 0.377 0.262 -1.823) 1.880 2.631 ( 7.629 1.256 -1.231) 7.829 2.750 ( -9.051 -1.084 -3.650) 9.819 2.851 ( 4.124 7.358 1.849) 8.635 2.909 ( -1.660 -2.362 -1.748) 3.375 3.016 ( -0.748 -3.328 -2.088) 4.000 3.225 ( 5.674 -13.898 1.707) 15.108 3.376 ( -5.099 -1.171 5.324) 7.464 3.485 ( -0.252 3.546 -4.029) 5.373 3.521 ( -0.431 3.074 -4.247) 5.260 3.670 ( -3.422 4.692 0.954) 5.885 3.795 ( 8.859 2.861 -0.766) 9.341 3.886 ( -0.899 0.223 0.652) 1.133 3.945 ( -1.455 2.137 -2.615) 3.677 3.995 ( 6.007 7.913 -0.085) 9.935 4.063 ( -10.285 7.649 0.040) 12.817 4.088 ( 4.744 2.235 2.418) 5.774 4.141 ( 1.503 -3.202 -1.886) 4.009 4.229 ( -1.530 0.504 -2.724) 3.165 4.243 ( 4.185 -0.619 3.985) 5.812 4.336 ( -3.655 0.183 4.513) 5.810 4.413 ( 3.968 -0.197 1.463) 4.233 4.450 ( 2.262 0.465 -1.204) 2.604 4.456 ( 3.574 -1.830 -2.100) 4.532 4.481 ( 4.611 -0.589 -0.019) 4.649 4.509 ( -1.124 0.631 -4.322) 4.510 4.532 ( 1.089 -2.679 0.817) 3.005 4.591 ( 0.376 -6.443 1.840) 6.711 4.628 ( -2.695 -5.354 0.549) 6.019 4.746 ( -1.494 -3.569 -0.895) 3.971 4.795 ( -4.015 -1.178 -0.164) 4.187 4.822 ( -1.723 3.660 3.006) 5.040 4.882 ( 6.886 5.592 1.695) 9.031 4.946 ( 0.962 -3.765 -2.320) 4.526 5.111 ( -1.756 1.892 2.683) 3.724 5.155 ( -2.105 -2.947 -1.170) 3.806 5.267 ( -0.383 -3.295 -1.951) 3.848 5.311 ( -9.627 -7.920 1.046) 12.510 5.340 ( -5.251 -1.196 0.807) 5.446 5.402 ( 0.784 5.007 1.389) 5.255 5.600 ( -1.580 0.198 1.791) 2.397 5.647 ( -4.274 -2.318 -3.232) 5.838 5.760 ( 3.308 -8.220 -2.258) 9.144 5.844 ( -2.374 -4.664 -1.335) 5.401 5.911 ( 2.300 2.602 2.174) 4.097 5.951 ( 6.986 3.192 -0.109) 7.681 6.055 ( -3.600 -2.027 0.835) 4.214 6.088 ( -5.823 -6.161 0.387) 8.486 6.130 ( 1.136 0.890 1.258) 1.914 6.170 ( -2.929 2.621 -2.114) 4.463 6.230 ( 0.956 -2.353 1.792) 3.109 6.343 ( -3.621 0.242 -0.829) 3.723 6.393 ( -2.067 -0.374 -0.779) 2.241 6.534 ( -1.587 -2.367 -3.264) 4.333 6.562 ( -1.007 -1.276 5.998) 6.215 6.620 ( 0.003 -1.333 -0.282) 1.362 6.678 ( -0.793 -4.259 1.671) 4.643 6.787 ( -5.960 -4.447 -1.665) 7.620 6.890 ( 1.790 7.486 0.043) 7.698 6.919 ( -3.471 1.685 2.802) 4.768 7.015 ( -3.582 -0.908 -0.159) 3.699 7.061 ( -5.317 -2.181 -5.765) 8.140 7.155 ( -0.664 -5.076 1.341) 5.292 7.191 ( -1.941 -3.149 -1.326) 3.930 7.304 ( 2.032 -0.548 -4.802) 5.243 7.376 ( 0.942 -2.467 4.066) 4.848 7.435 ( 6.073 -2.294 2.463) 6.944 7.567 ( -6.070 1.431 -2.920) 6.886 7.624 ( -1.750 -6.948 -0.849) 7.215 7.712 ( -4.757 -9.379 2.495) 10.808 7.802 ( -5.019 3.797 2.812) 6.893 7.866 ( -4.386 -9.290 -1.430) 10.372 7.938 ( -2.996 -0.148 4.222) 5.179 8.001 ( -3.240 0.834 1.467) 3.653 8.008 ( 0.612 -6.681 -1.825) 6.952 8.106 ( 3.497 -2.202 0.505) 4.163 8.116 ( -1.453 -4.301 -6.903) 8.262 8.289 ( -1.422 -4.975 -2.481) 5.739 8.305 ( 0.720 0.245 1.567) 1.741 8.378 ( 0.251 -5.234 1.715) 5.513 8.451 ( 0.734 5.753 0.332) 5.810 8.609 ( 1.868 1.164 0.673) 2.302 8.656 ( 2.419 -6.034 0.806) 6.551 8.672 ( 1.873 1.921 -1.934) 3.307 8.777 ( -4.151 2.959 -1.343) 5.272 8.848 ( 2.505 1.492 1.103) 3.118 8.939 ( -5.762 1.176 -1.786) 6.146 9.035 ( 0.047 -1.279 1.018) 1.635 9.180 ( -5.174 4.302 4.424) 8.053 9.232 ( -0.425 1.091 -0.067) 1.173 9.281 ( 2.563 0.980 0.906) 2.890 9.343 ( 1.889 -2.319 -3.114) 4.317 9.416 ( -1.948 -1.749 -0.802) 2.738 9.466 ( 4.822 -0.620 1.147) 4.995 9.495 ( 1.996 -1.505 -0.232) 2.510 9.583 ( 1.828 3.977 -1.896) 4.770 9.648 ( 1.788 2.425 -0.170) 3.018 9.708 ( -2.916 -1.365 0.878) 3.337 9.804 ( -2.161 6.071 -0.936) 6.512 9.903 ( -4.262 -4.076 2.039) 6.240 9.949 ( -2.551 -2.451 1.597) 3.882 10.034 ( 1.549 -3.014 -0.538) 3.431 10.120 ( -0.975 -3.476 -1.166) 3.794 10.232 ( 0.048 -1.215 2.226) 2.536 10.270 ( -1.486 -0.586 -3.059) 3.451 10.432 ( 0.474 8.653 0.725) 8.696 10.508 ( 0.622 1.584 -2.665) 3.163 10.526 ( 6.320 2.528 2.466) 7.240 10.595 ( 4.484 4.958 1.119) 6.778 10.731 ( 2.102 -3.284 2.042) 4.402 10.762 ( -0.740 -4.125 0.070) 4.191 10.861 ( -2.350 -2.278 -1.237) 3.498 10.911 ( -3.019 5.140 1.105) 6.063 10.983 ( 4.143 2.862 -1.077) 5.149 11.097 ( -0.081 -0.077 -1.202) 1.207 11.113 ( 1.692 1.683 -0.877) 2.543 11.246 ( -0.558 0.830 -1.693) 1.966 11.414 ( -6.103 4.058 -2.631) 7.787 11.453 ( -0.644 -4.081 -1.156) 4.290 11.572 ( 1.113 -0.874 0.999) 1.732 11.580 ( 1.951 -1.915 1.936) 3.351 11.583 ( -2.095 -2.367 -0.228) 3.169 11.660 ( 0.366 -0.817 4.148) 4.243 11.741 ( -3.173 -2.392 -0.819) 4.056 11.910 ( -0.667 -5.030 -0.680) 5.119 12.021 ( 1.145 -6.909 0.509) 7.021 12.109 ( 1.128 -2.748 0.818) 3.081 12.175 ( -1.041 6.882 3.742) 7.902 12.288 ( 8.567 2.354 -0.407) 8.894 12.364 ( -0.156 1.285 0.583) 1.420 12.376 ( -0.258 -2.696 -3.056) 4.083 12.448 ( 1.913 7.604 0.728) 7.875 12.467 ( 1.856 2.595 -2.544) 4.080 12.494 ( 1.362 2.708 1.623) 3.438 12.563 ( 3.087 0.634 -2.943) 4.312 12.598 ( 2.241 -0.392 3.670) 4.318 12.690 ( -3.254 -0.308 -1.090) 3.445 12.769 ( 2.440 -2.844 -0.228) 3.754 12.859 ( -0.201 0.538 0.151) 0.594 13.097 ( -3.995 -5.094 -1.112) 6.569 13.195 ( 3.009 13.559 1.100) 13.933 13.303 ( 8.944 8.810 -3.552) 13.047 13.345 ( 1.049 7.626 1.766) 7.898 13.449 ( -2.319 10.421 -0.951) 10.718 13.515 ( 3.242 4.219 -1.195) 5.453 13.656 ( -0.247 4.259 -6.926) 8.134 13.760 ( 7.402 7.569 9.054) 13.930 13.868 ( 14.051 5.974 0.095) 15.268 14.144 ( 2.496 4.290 0.852) 5.036 14.151 ( 0.059 3.274 3.701) 4.942 14.245 ( 5.680 0.131 -1.434) 5.859 14.371 ( -2.422 3.810 -4.159) 6.139 14.429 ( -0.365 11.833 1.808) 11.976 14.554 ( 6.281 6.474 -2.741) 9.428 14.796 ( -1.692 -3.982 -0.727) 4.387 14.856 ( 5.698 6.926 0.073) 8.969 15.012 ( 12.180 4.793 1.882) 13.224 15.184 ( 6.225 -0.097 2.922) 6.878 15.351 ( -5.001 -9.778 -1.893) 11.145 15.423 ( -11.190 1.264 -3.427) 11.771 15.642 ( 13.759 7.640 4.121) 16.269 15.684 ( 5.937 11.595 1.862) 13.159 15.781 ( 7.075 12.010 3.546) 14.383 15.949 ( 2.551 -1.845 -6.282) 7.027 16.196 ( -8.873 -12.516 -1.961) 15.466 16.265 ( -7.120 -10.390 2.642) 12.869 16.507 ( -5.070 1.658 0.002) 5.334 16.671 ( 5.333 3.164 0.708) 6.241 16.789 ( -19.111 -11.992 -2.637) 22.716 16.861 ( -10.354 -13.428 -0.866) 16.978 16.985 ( -1.862 -18.773 1.803) 18.951 17.486 ( -11.447 -13.917 0.176) 18.021 17.739 ( -0.683 5.991 -0.085) 6.030 17.979 ( 9.039 8.762 1.028) 12.630 18.737 ( -8.340 -12.288 -0.517) 14.860 ======================= Grid point 10 (7/32) ======================= q-point: ( 0.43 0.14 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.888 -1.537 -0.000) 1.775 1.721 ( 0.284 -0.492 -0.000) 0.569 2.200 ( -3.712 6.429 -0.000) 7.424 2.255 ( 1.610 -2.789 0.000) 3.220 2.282 ( -2.158 3.738 0.000) 4.317 2.328 ( -6.397 11.080 0.000) 12.795 2.537 ( -0.701 1.214 0.000) 1.402 2.733 ( 3.859 -6.683 -0.000) 7.717 2.855 ( 3.588 -6.215 0.000) 7.177 3.026 ( 2.508 -4.344 -0.000) 5.016 3.232 ( 4.695 -8.132 0.000) 9.390 3.260 ( -3.139 5.437 -0.000) 6.278 3.335 ( -1.281 2.219 -0.000) 2.562 3.504 ( -2.526 4.375 0.000) 5.052 3.504 ( -1.961 3.397 -0.000) 3.922 3.572 ( -3.969 6.874 -0.000) 7.937 3.782 ( -6.578 11.393 -0.000) 13.155 3.890 ( 0.957 -1.658 0.000) 1.915 3.907 ( 0.062 -0.107 0.000) 0.124 4.006 ( -4.389 7.602 0.000) 8.778 4.105 ( 0.283 -0.490 0.000) 0.565 4.180 ( 3.462 -5.997 -0.000) 6.924 4.185 ( 1.078 -1.867 0.000) 2.155 4.216 ( 0.642 -1.111 -0.000) 1.283 4.278 ( 2.166 -3.752 0.000) 4.332 4.303 ( -1.537 2.662 -0.000) 3.074 4.397 ( 0.741 -1.284 0.000) 1.482 4.416 ( -0.282 0.488 0.000) 0.564 4.444 ( 3.053 -5.288 -0.000) 6.106 4.467 ( 3.899 -6.754 -0.000) 7.799 4.498 ( 0.319 -0.552 -0.000) 0.637 4.598 ( 0.836 -1.448 -0.000) 1.672 4.638 ( 0.914 -1.583 0.000) 1.828 4.678 ( 1.904 -3.297 0.000) 3.807 4.702 ( 0.928 -1.607 -0.000) 1.856 4.726 ( 1.783 -3.089 0.000) 3.567 4.842 ( 3.693 -6.396 -0.000) 7.385 4.884 ( -4.409 7.637 -0.000) 8.819 4.996 ( 0.398 -0.689 -0.000) 0.796 5.032 ( -2.572 4.455 -0.000) 5.144 5.110 ( -0.148 0.257 0.000) 0.297 5.197 ( 2.470 -4.277 -0.000) 4.939 5.284 ( -0.942 1.631 0.000) 1.883 5.319 ( -1.521 2.635 -0.000) 3.043 5.359 ( -0.196 0.340 0.000) 0.393 5.600 ( -1.854 3.212 -0.000) 3.709 5.629 ( -0.804 1.392 0.000) 1.607 5.714 ( 0.400 -0.693 0.000) 0.800 5.810 ( 0.187 -0.324 0.000) 0.375 5.938 ( 3.746 -6.489 -0.000) 7.493 5.949 ( 2.219 -3.844 0.000) 4.438 6.027 ( 1.466 -2.539 0.000) 2.932 6.118 ( 2.709 -4.693 -0.000) 5.419 6.155 ( -0.668 1.157 0.000) 1.336 6.179 ( -2.881 4.990 -0.000) 5.762 6.219 ( -0.983 1.703 -0.000) 1.966 6.244 ( -1.101 1.908 0.000) 2.203 6.380 ( 0.968 -1.676 -0.000) 1.936 6.504 ( -1.505 2.606 0.000) 3.009 6.555 ( 1.993 -3.452 -0.000) 3.986 6.628 ( 1.282 -2.221 0.000) 2.565 6.641 ( 1.091 -1.889 -0.000) 2.181 6.718 ( -4.725 8.183 0.000) 9.449 6.855 ( -0.856 1.483 0.000) 1.713 6.938 ( -3.339 5.783 0.000) 6.678 6.952 ( -1.851 3.206 -0.000) 3.702 7.018 ( -4.055 7.024 -0.000) 8.110 7.129 ( 4.611 -7.987 0.000) 9.223 7.262 ( 0.790 -1.368 -0.000) 1.579 7.314 ( 1.661 -2.876 0.000) 3.321 7.433 ( -0.388 0.671 0.000) 0.775 7.470 ( 0.147 -0.255 0.000) 0.294 7.508 ( -0.284 0.492 -0.000) 0.568 7.518 ( 2.072 -3.589 -0.000) 4.145 7.641 ( 2.481 -4.298 -0.000) 4.963 7.723 ( 3.766 -6.523 0.000) 7.532 7.770 ( -1.961 3.396 -0.000) 3.921 7.892 ( -2.434 4.215 -0.000) 4.867 7.972 ( 1.063 -1.840 0.000) 2.125 8.000 ( 4.362 -7.555 0.000) 8.724 8.069 ( 2.177 -3.771 -0.000) 4.355 8.156 ( 2.403 -4.162 0.000) 4.806 8.275 ( 2.060 -3.568 -0.000) 4.120 8.276 ( -0.478 0.828 0.000) 0.956 8.344 ( 1.944 -3.368 0.000) 3.889 8.492 ( -3.365 5.828 -0.000) 6.730 8.635 ( 4.592 -7.954 0.000) 9.185 8.667 ( -1.146 1.986 0.000) 2.293 8.688 ( -0.194 0.336 0.000) 0.388 8.791 ( 0.073 -0.127 0.000) 0.146 8.821 ( -1.913 3.313 -0.000) 3.826 8.916 ( -1.665 2.885 0.000) 3.331 9.028 ( -0.104 0.180 -0.000) 0.208 9.154 ( -3.992 6.915 -0.000) 7.985 9.231 ( -0.395 0.684 0.000) 0.789 9.309 ( -0.137 0.238 -0.000) 0.275 9.350 ( -0.133 0.230 0.000) 0.266 9.371 ( 2.451 -4.245 0.000) 4.902 9.491 ( 2.761 -4.782 0.000) 5.522 9.535 ( 0.753 -1.305 -0.000) 1.507 9.649 ( 2.090 -3.620 0.000) 4.181 9.650 ( -3.089 5.351 -0.000) 6.179 9.694 ( -0.692 1.198 0.000) 1.383 9.777 ( -3.725 6.453 -0.000) 7.451 9.854 ( -2.188 3.790 0.000) 4.376 9.916 ( 0.549 -0.952 -0.000) 1.099 10.032 ( 2.696 -4.669 0.000) 5.391 10.102 ( 1.414 -2.449 -0.000) 2.828 10.218 ( 1.288 -2.231 -0.000) 2.576 10.261 ( -1.329 2.301 0.000) 2.657 10.450 ( -2.821 4.886 -0.000) 5.642 10.529 ( 0.492 -0.852 0.000) 0.984 10.597 ( -1.849 3.203 -0.000) 3.698 10.704 ( -0.798 1.382 -0.000) 1.595 10.724 ( 2.723 -4.716 -0.000) 5.446 10.741 ( 2.980 -5.161 -0.000) 5.960 10.813 ( 0.947 -1.641 0.000) 1.895 10.904 ( -4.077 7.062 -0.000) 8.155 11.050 ( -1.395 2.417 0.000) 2.791 11.078 ( 1.311 -2.270 0.000) 2.621 11.174 ( -0.586 1.016 -0.000) 1.173 11.227 ( -2.466 4.270 0.000) 4.931 11.389 ( -2.076 3.595 0.000) 4.151 11.430 ( 2.938 -5.089 0.000) 5.876 11.519 ( 0.267 -0.462 0.000) 0.534 11.580 ( -0.995 1.723 -0.000) 1.990 11.626 ( -3.809 6.598 0.000) 7.619 11.632 ( 2.179 -3.774 -0.000) 4.358 11.695 ( 1.243 -2.153 0.000) 2.487 11.874 ( 5.520 -9.561 0.000) 11.040 12.000 ( 2.359 -4.086 -0.000) 4.718 12.106 ( 4.568 -7.912 0.000) 9.136 12.208 ( -3.016 5.224 -0.000) 6.033 12.356 ( -0.079 0.137 0.000) 0.158 12.365 ( 0.879 -1.522 -0.000) 1.757 12.402 ( 0.551 -0.954 -0.000) 1.102 12.442 ( -0.142 0.247 -0.000) 0.285 12.537 ( 0.210 -0.364 -0.000) 0.420 12.546 ( -2.850 4.936 -0.000) 5.700 12.598 ( -0.003 0.006 0.000) 0.007 12.622 ( -0.277 0.480 -0.000) 0.555 12.671 ( -1.000 1.733 0.000) 2.001 12.744 ( 2.050 -3.550 0.000) 4.099 12.826 ( 0.678 -1.174 0.000) 1.355 13.021 ( 2.940 -5.093 -0.000) 5.881 13.299 ( -7.118 12.328 0.000) 14.236 13.350 ( -3.637 6.300 0.000) 7.274 13.442 ( -5.417 9.383 0.000) 10.834 13.491 ( 0.490 -0.848 -0.000) 0.980 13.586 ( -0.913 1.581 0.000) 1.825 13.699 ( -5.179 8.971 0.000) 10.359 13.896 ( -0.135 0.233 -0.000) 0.269 14.058 ( 1.433 -2.481 -0.000) 2.865 14.095 ( -0.811 1.404 -0.000) 1.621 14.224 ( -1.401 2.427 0.000) 2.802 14.255 ( 3.225 -5.587 0.000) 6.451 14.363 ( -2.531 4.385 -0.000) 5.063 14.475 ( -5.681 9.840 -0.000) 11.362 14.652 ( -4.791 8.298 0.000) 9.582 14.767 ( 6.146 -10.646 -0.000) 12.293 14.943 ( -0.113 0.195 0.000) 0.225 15.163 ( 1.223 -2.119 0.000) 2.447 15.204 ( 3.189 -5.524 -0.000) 6.378 15.245 ( -0.395 0.685 0.000) 0.790 15.437 ( -2.101 3.640 0.000) 4.203 15.685 ( -1.294 2.242 -0.000) 2.588 15.843 ( -7.474 12.946 -0.000) 14.949 15.906 ( 6.985 -12.099 0.000) 13.971 15.986 ( 2.401 -4.159 0.000) 4.802 16.093 ( -0.541 0.936 0.000) 1.081 16.260 ( -0.540 0.935 -0.000) 1.080 16.338 ( -1.185 2.052 0.000) 2.369 16.515 ( -1.145 1.984 -0.000) 2.291 16.660 ( 3.363 -5.825 -0.000) 6.727 16.822 ( -1.734 3.004 0.000) 3.469 16.863 ( 7.806 -13.521 -0.000) 15.612 17.264 ( 3.618 -6.266 0.000) 7.235 17.761 ( -3.303 5.720 -0.000) 6.605 18.138 ( -1.831 3.171 0.000) 3.662 18.566 ( 4.026 -6.973 0.000) 8.051 ======================= Grid point 17 (8/32) ======================= q-point: ( 0.29 0.29 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 8.935 15.476 0.000) 17.870 1.788 ( -6.316 -10.940 0.000) 12.632 2.189 ( 2.278 3.945 0.000) 4.555 2.214 ( 5.948 10.303 0.000) 11.897 2.335 ( 0.980 1.697 0.000) 1.959 2.564 ( 1.009 1.748 0.000) 2.018 2.611 ( -2.448 -4.240 0.000) 4.896 2.674 ( -3.094 -5.360 0.000) 6.189 2.792 ( -3.923 -6.795 0.000) 7.846 2.823 ( -5.642 -9.771 0.000) 11.283 3.157 ( 2.166 3.752 0.000) 4.332 3.283 ( -4.053 -7.019 0.000) 8.105 3.314 ( 17.285 29.939 0.000) 34.571 3.555 ( 2.159 3.740 0.000) 4.319 3.649 ( 4.009 6.944 0.000) 8.018 3.801 ( 0.278 0.481 0.000) 0.556 3.821 ( 0.569 0.985 0.000) 1.138 3.828 ( -3.785 -6.555 0.000) 7.569 3.975 ( 0.624 1.082 0.000) 1.249 4.017 ( -3.564 -6.172 0.000) 7.127 4.075 ( -0.030 -0.052 0.000) 0.061 4.155 ( -1.105 -1.913 0.000) 2.209 4.166 ( 3.642 6.309 0.000) 7.285 4.202 ( -1.876 -3.248 0.000) 3.751 4.262 ( 1.086 1.881 0.000) 2.173 4.305 ( -1.660 -2.876 0.000) 3.320 4.332 ( -0.580 -1.005 0.000) 1.160 4.392 ( -2.369 -4.104 0.000) 4.739 4.404 ( -2.322 -4.022 0.000) 4.645 4.425 ( -0.409 -0.708 0.000) 0.818 4.533 ( 1.616 2.799 0.000) 3.232 4.551 ( 1.210 2.095 0.000) 2.419 4.557 ( 0.477 0.826 0.000) 0.954 4.596 ( 1.195 2.069 0.000) 2.389 4.697 ( -0.618 -1.071 0.000) 1.236 4.733 ( -1.819 -3.151 0.000) 3.638 4.783 ( -7.322 -12.682 0.000) 14.644 4.963 ( 2.793 4.838 0.000) 5.587 4.987 ( 4.999 8.659 0.000) 9.998 5.077 ( -2.403 -4.163 0.000) 4.807 5.127 ( -1.862 -3.225 0.000) 3.723 5.135 ( -3.476 -6.020 0.000) 6.951 5.316 ( 3.478 6.023 0.000) 6.955 5.318 ( -0.347 -0.601 0.000) 0.694 5.402 ( -2.380 -4.122 0.000) 4.759 5.630 ( 1.827 3.164 0.000) 3.654 5.679 ( 0.620 1.074 0.000) 1.241 5.686 ( 1.463 2.533 0.000) 2.925 5.777 ( -2.064 -3.575 0.000) 4.128 5.890 ( -3.852 -6.671 0.000) 7.703 5.962 ( 0.924 1.600 0.000) 1.847 5.967 ( -3.185 -5.517 0.000) 6.371 6.019 ( 1.098 1.902 0.000) 2.196 6.186 ( -0.851 -1.474 0.000) 1.703 6.215 ( 3.331 5.770 0.000) 6.662 6.251 ( 1.964 3.402 0.000) 3.928 6.321 ( -1.921 -3.327 0.000) 3.842 6.337 ( -1.196 -2.071 0.000) 2.391 6.514 ( -0.950 -1.645 0.000) 1.900 6.544 ( 1.777 3.078 0.000) 3.555 6.604 ( -0.431 -0.747 0.000) 0.862 6.606 ( -0.987 -1.709 0.000) 1.973 6.736 ( -5.462 -9.460 0.000) 10.923 6.958 ( 1.109 1.921 0.000) 2.218 6.965 ( 2.286 3.960 0.000) 4.573 7.042 ( -2.423 -4.197 0.000) 4.846 7.082 ( 3.873 6.707 0.000) 7.745 7.104 ( 1.903 3.296 0.000) 3.806 7.199 ( 2.558 4.430 0.000) 5.115 7.336 ( -0.729 -1.263 0.000) 1.459 7.372 ( 1.217 2.108 0.000) 2.434 7.421 ( 1.902 3.295 0.000) 3.805 7.514 ( -1.521 -2.635 0.000) 3.043 7.525 ( -3.779 -6.545 0.000) 7.557 7.556 ( -2.912 -5.044 0.000) 5.825 7.623 ( -7.029 -12.175 0.000) 14.059 7.892 ( 1.944 3.367 0.000) 3.888 7.898 ( -1.455 -2.521 0.000) 2.910 7.942 ( -1.581 -2.738 0.000) 3.162 7.979 ( -0.093 -0.160 0.000) 0.185 8.033 ( -1.693 -2.932 0.000) 3.386 8.114 ( 1.737 3.009 0.000) 3.474 8.171 ( -2.995 -5.187 0.000) 5.989 8.243 ( -3.774 -6.537 0.000) 7.548 8.370 ( 2.767 4.792 0.000) 5.533 8.520 ( -3.393 -5.877 0.000) 6.787 8.561 ( 2.011 3.484 0.000) 4.022 8.677 ( 2.431 4.211 0.000) 4.862 8.713 ( 0.696 1.206 0.000) 1.392 8.788 ( -2.045 -3.543 0.000) 4.091 8.863 ( 1.974 3.419 0.000) 3.947 8.982 ( 0.282 0.488 0.000) 0.563 8.988 ( -1.272 -2.204 0.000) 2.545 9.238 ( 0.243 0.422 0.000) 0.487 9.246 ( 0.186 0.321 0.000) 0.371 9.294 ( 0.560 0.969 0.000) 1.119 9.328 ( 0.570 0.986 0.000) 1.139 9.371 ( -1.318 -2.284 0.000) 2.637 9.431 ( -1.020 -1.766 0.000) 2.039 9.526 ( 1.894 3.280 0.000) 3.787 9.601 ( -1.315 -2.277 0.000) 2.629 9.680 ( -0.236 -0.408 0.000) 0.471 9.726 ( 2.285 3.958 0.000) 4.571 9.867 ( 0.104 0.179 0.000) 0.207 9.893 ( 0.417 0.722 0.000) 0.834 9.921 ( 0.105 0.181 0.000) 0.209 9.978 ( -0.601 -1.041 0.000) 1.202 10.031 ( -2.319 -4.017 0.000) 4.638 10.253 ( 0.156 0.270 0.000) 0.312 10.263 ( 0.702 1.216 0.000) 1.404 10.503 ( -0.673 -1.165 0.000) 1.345 10.528 ( 1.342 2.324 0.000) 2.683 10.617 ( -1.453 -2.516 0.000) 2.905 10.650 ( 4.305 7.457 0.000) 8.611 10.706 ( -0.953 -1.651 0.000) 1.906 10.708 ( 0.936 1.621 0.000) 1.871 10.793 ( -2.594 -4.492 0.000) 5.187 11.011 ( 1.142 1.978 0.000) 2.284 11.032 ( 2.208 3.825 0.000) 4.417 11.086 ( -0.566 -0.980 0.000) 1.131 11.180 ( 3.136 5.431 0.000) 6.271 11.292 ( 1.069 1.851 0.000) 2.138 11.347 ( -3.355 -5.812 0.000) 6.711 11.508 ( 0.341 0.591 0.000) 0.683 11.525 ( 1.086 1.881 0.000) 2.172 11.534 ( -0.446 -0.772 0.000) 0.891 11.603 ( 1.735 3.005 0.000) 3.470 11.634 ( -1.699 -2.943 0.000) 3.399 11.750 ( -1.027 -1.780 0.000) 2.055 11.771 ( -2.088 -3.617 0.000) 4.177 11.900 ( -2.190 -3.794 0.000) 4.381 12.012 ( -3.114 -5.393 0.000) 6.228 12.292 ( 1.177 2.039 0.000) 2.355 12.315 ( 0.897 1.553 0.000) 1.793 12.365 ( -0.333 -0.577 0.000) 0.666 12.379 ( 1.929 3.342 0.000) 3.859 12.465 ( -1.742 -3.018 0.000) 3.485 12.491 ( -0.217 -0.376 0.000) 0.434 12.606 ( 2.563 4.439 0.000) 5.126 12.608 ( 0.448 0.776 0.000) 0.896 12.637 ( 5.442 9.425 0.000) 10.883 12.667 ( -1.172 -2.030 0.000) 2.344 12.748 ( -0.119 -0.206 0.000) 0.238 12.865 ( -0.437 -0.758 0.000) 0.875 12.899 ( -6.441 -11.156 0.000) 12.882 13.421 ( 3.515 6.088 0.000) 7.030 13.454 ( 2.472 4.281 0.000) 4.944 13.471 ( 2.465 4.270 0.000) 4.930 13.579 ( 2.997 5.191 0.000) 5.994 13.593 ( 2.400 4.157 0.000) 4.801 13.832 ( 5.347 9.262 0.000) 10.695 13.926 ( 1.840 3.187 0.000) 3.679 13.932 ( 2.958 5.124 0.000) 5.917 14.128 ( -3.699 -6.407 0.000) 7.398 14.184 ( 0.893 1.547 0.000) 1.786 14.237 ( 0.198 0.343 0.000) 0.396 14.440 ( 2.867 4.966 0.000) 5.734 14.633 ( -5.249 -9.092 0.000) 10.498 14.634 ( 5.877 10.179 0.000) 11.753 14.782 ( 5.972 10.343 0.000) 11.943 14.924 ( -3.604 -6.242 0.000) 7.207 14.972 ( -1.194 -2.068 0.000) 2.388 15.141 ( -2.559 -4.433 0.000) 5.119 15.364 ( 5.765 9.985 0.000) 11.530 15.563 ( 6.100 10.565 0.000) 12.199 15.592 ( -3.142 -5.442 0.000) 6.284 15.828 ( -4.726 -8.186 0.000) 9.453 15.889 ( -1.667 -2.887 0.000) 3.334 16.048 ( 1.792 3.104 0.000) 3.584 16.101 ( -1.669 -2.891 0.000) 3.338 16.129 ( 12.118 20.988 0.000) 24.235 16.547 ( -0.114 -0.197 0.000) 0.228 16.561 ( -9.123 -15.802 0.000) 18.247 16.584 ( -7.149 -12.383 0.000) 14.298 16.615 ( -6.180 -10.704 0.000) 12.359 16.853 ( 7.091 12.282 0.000) 14.182 17.194 ( -8.991 -15.573 0.000) 17.982 17.829 ( 1.466 2.539 0.000) 2.932 18.175 ( 6.731 11.659 0.000) 13.462 18.481 ( -7.818 -13.541 0.000) 15.636 ======================= Grid point 55 (9/32) ======================= q-point: ( 0.00 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 0.000 0.000 26.745) 26.745 0.577 ( 0.000 -0.000 26.745) 26.745 0.821 ( 0.000 0.000 37.049) 37.049 2.125 ( 0.000 0.000 -20.631) 20.631 2.125 ( 0.000 -0.000 -20.631) 20.631 2.733 ( 0.000 0.000 -6.748) 6.748 2.893 ( 0.000 0.000 0.566) 0.566 2.978 ( 0.000 0.000 13.002) 13.002 2.978 ( 0.000 0.000 13.002) 13.002 3.071 ( 0.000 0.000 -21.974) 21.974 3.314 ( 0.000 0.000 12.290) 12.290 3.485 ( 0.000 0.000 0.480) 0.480 3.485 ( 0.000 0.000 0.480) 0.480 3.558 ( 0.000 -0.000 2.303) 2.303 3.558 ( 0.000 0.000 2.303) 2.303 3.691 ( 0.000 0.000 -5.337) 5.337 3.691 ( 0.000 0.000 -5.337) 5.337 3.717 ( 0.000 0.000 6.055) 6.055 3.787 ( 0.000 -0.000 -2.059) 2.059 3.787 ( 0.000 0.000 -2.059) 2.059 3.926 ( 0.000 0.000 -0.130) 0.130 3.932 ( 0.000 0.000 -0.131) 0.131 3.932 ( -0.000 -0.000 -0.131) 0.131 4.151 ( -0.000 0.000 2.158) 2.158 4.151 ( -0.000 -0.000 2.158) 2.158 4.214 ( 0.000 0.000 -6.427) 6.427 4.250 ( 0.000 0.000 8.626) 8.626 4.299 ( 0.000 0.000 2.441) 2.441 4.299 ( 0.000 0.000 2.441) 2.441 4.388 ( 0.000 0.000 -8.698) 8.698 4.439 ( 0.000 0.000 -9.191) 9.191 4.439 ( 0.000 0.000 -9.191) 9.191 4.672 ( 0.000 0.000 -6.269) 6.269 4.672 ( 0.000 -0.000 -6.269) 6.269 4.897 ( 0.000 0.000 9.042) 9.042 4.990 ( 0.000 0.000 7.330) 7.330 4.990 ( 0.000 0.000 7.330) 7.330 5.110 ( 0.000 0.000 -8.806) 8.806 5.110 ( 0.000 0.000 -8.806) 8.806 5.206 ( 0.000 0.000 0.263) 0.263 5.207 ( 0.000 0.000 2.534) 2.534 5.304 ( 0.000 -0.000 16.729) 16.729 5.304 ( 0.000 0.000 16.729) 16.729 5.412 ( 0.000 -0.000 0.315) 0.315 5.412 ( 0.000 0.000 0.315) 0.315 5.508 ( 0.000 0.000 -5.069) 5.069 5.622 ( 0.000 0.000 7.410) 7.410 5.963 ( 0.000 0.000 -3.256) 3.256 5.963 ( 0.000 -0.000 -3.256) 3.256 6.052 ( 0.000 0.000 -5.806) 5.806 6.086 ( 0.000 0.000 0.037) 0.037 6.086 ( 0.000 -0.000 0.037) 0.037 6.195 ( 0.000 0.000 -4.876) 4.876 6.249 ( 0.000 0.000 2.838) 2.838 6.343 ( 0.000 0.000 8.114) 8.114 6.343 ( 0.000 0.000 8.114) 8.114 6.449 ( 0.000 0.000 -8.086) 8.086 6.652 ( 0.000 0.000 -0.393) 0.393 6.710 ( 0.000 0.000 -4.866) 4.866 6.843 ( 0.000 0.000 -0.904) 0.904 6.843 ( 0.000 0.000 -0.904) 0.904 6.937 ( 0.000 0.000 3.874) 3.874 6.937 ( 0.000 0.000 3.874) 3.874 7.024 ( 0.000 0.000 10.036) 10.036 7.042 ( 0.000 -0.000 9.275) 9.275 7.042 ( 0.000 0.000 9.275) 9.275 7.169 ( 0.000 0.000 -3.404) 3.404 7.439 ( 0.000 0.000 2.857) 2.857 7.439 ( 0.000 -0.000 2.857) 2.857 7.640 ( 0.000 0.000 -10.864) 10.864 7.641 ( 0.000 -0.000 -3.205) 3.205 7.641 ( -0.000 0.000 -3.205) 3.205 7.681 ( 0.000 0.000 3.015) 3.015 7.897 ( 0.000 0.000 -0.358) 0.358 7.897 ( 0.000 -0.000 -0.358) 0.358 7.949 ( 0.000 0.000 11.654) 11.654 7.954 ( 0.000 0.000 0.462) 0.462 7.964 ( -0.000 0.000 -9.575) 9.575 7.964 ( -0.000 -0.000 -9.575) 9.575 8.101 ( 0.000 0.000 4.275) 4.275 8.102 ( 0.000 -0.000 -0.654) 0.654 8.102 ( 0.000 0.000 -0.654) 0.654 8.319 ( 0.000 -0.000 -3.465) 3.465 8.319 ( -0.000 -0.000 -3.465) 3.465 8.431 ( -0.000 -0.000 -1.222) 1.222 8.431 ( 0.000 0.000 -1.222) 1.222 8.460 ( 0.000 0.000 -4.472) 4.472 8.460 ( 0.000 0.000 -4.472) 4.472 8.566 ( 0.000 0.000 -1.681) 1.681 8.647 ( 0.000 0.000 -4.673) 4.673 8.983 ( 0.000 0.000 6.437) 6.437 9.075 ( 0.000 0.000 -4.087) 4.087 9.075 ( 0.000 -0.000 -4.087) 4.087 9.193 ( 0.000 0.000 1.270) 1.270 9.193 ( 0.000 0.000 1.270) 1.270 9.289 ( 0.000 0.000 -3.658) 3.658 9.289 ( 0.000 -0.000 -3.658) 3.658 9.322 ( 0.000 0.000 -3.195) 3.195 9.380 ( 0.000 0.000 -0.672) 0.672 9.481 ( 0.000 0.000 2.566) 2.566 9.481 ( 0.000 0.000 2.566) 2.566 9.717 ( 0.000 0.000 -7.360) 7.360 9.780 ( 0.000 0.000 3.891) 3.891 9.780 ( 0.000 -0.000 3.891) 3.891 9.894 ( 0.000 0.000 -2.701) 2.701 9.901 ( 0.000 0.000 -5.570) 5.570 10.137 ( 0.000 0.000 11.133) 11.133 10.137 ( 0.000 0.000 11.133) 11.133 10.282 ( 0.000 0.000 7.186) 7.186 10.399 ( 0.000 0.000 -6.289) 6.289 10.399 ( 0.000 0.000 -6.289) 6.289 10.410 ( 0.000 0.000 0.618) 0.618 10.508 ( 0.000 -0.000 -0.003) 0.003 10.508 ( 0.000 0.000 -0.003) 0.003 10.681 ( 0.000 0.000 -1.311) 1.311 10.681 ( -0.000 0.000 -1.311) 1.311 10.880 ( 0.000 0.000 -5.593) 5.593 10.880 ( 0.000 0.000 -5.866) 5.866 10.880 ( 0.000 -0.000 11.490) 11.490 11.233 ( 0.000 0.000 6.494) 6.494 11.233 ( 0.000 0.000 6.494) 6.494 11.511 ( 0.000 0.000 -3.131) 3.131 11.532 ( 0.000 0.000 0.390) 0.390 11.532 ( 0.000 0.000 0.390) 0.390 11.678 ( 0.000 -0.000 0.917) 0.917 11.678 ( 0.000 -0.000 0.917) 0.917 11.802 ( 0.000 0.000 4.896) 4.896 11.821 ( -0.000 0.000 0.986) 0.986 11.821 ( 0.000 0.000 0.986) 0.986 11.893 ( 0.000 0.000 1.346) 1.346 12.002 ( 0.000 0.000 -8.758) 8.758 12.002 ( 0.000 -0.000 -8.758) 8.758 12.102 ( 0.000 0.000 -6.047) 6.047 12.102 ( 0.000 -0.000 -6.047) 6.047 12.126 ( 0.000 0.000 -5.064) 5.064 12.150 ( 0.000 0.000 -1.083) 1.083 12.287 ( 0.000 0.000 3.034) 3.034 12.287 ( 0.000 -0.000 3.034) 3.034 12.525 ( -0.000 0.000 4.115) 4.115 12.525 ( 0.000 -0.000 4.115) 4.115 12.526 ( 0.000 0.000 2.273) 2.273 12.570 ( 0.000 0.000 5.652) 5.652 12.762 ( -0.000 0.000 1.913) 1.913 12.762 ( 0.000 -0.000 1.913) 1.913 12.827 ( 0.000 0.000 0.628) 0.628 12.827 ( 0.000 0.000 0.628) 0.628 13.156 ( 0.000 0.000 -0.155) 0.155 13.156 ( 0.000 0.000 -0.155) 0.155 13.197 ( 0.000 0.000 -2.046) 2.046 13.197 ( 0.000 0.000 -2.046) 2.046 13.325 ( 0.000 0.000 6.151) 6.151 13.432 ( 0.000 -0.000 5.416) 5.416 13.432 ( 0.000 -0.000 5.416) 5.416 13.687 ( 0.000 -0.000 -1.464) 1.464 13.687 ( 0.000 -0.000 -1.464) 1.464 13.701 ( 0.000 0.000 -5.708) 5.708 14.026 ( 0.000 0.000 -12.835) 12.835 14.340 ( 0.000 0.000 -15.809) 15.809 14.495 ( -0.000 0.000 -3.664) 3.664 14.495 ( 0.000 0.000 -3.664) 3.664 14.732 ( 0.000 0.000 -7.243) 7.243 14.732 ( 0.000 0.000 -7.243) 7.243 14.880 ( 0.000 0.000 1.525) 1.525 15.004 ( 0.000 0.000 -1.616) 1.616 15.637 ( 0.000 0.000 19.571) 19.571 15.637 ( 0.000 0.000 19.571) 19.571 15.780 ( 0.000 0.000 16.107) 16.107 15.823 ( 0.000 0.000 18.355) 18.355 16.248 ( 0.000 0.000 6.827) 6.827 16.572 ( 0.000 0.000 9.949) 9.949 16.572 ( 0.000 0.000 9.949) 9.949 16.838 ( 0.000 0.000 -9.020) 9.020 16.903 ( 0.000 0.000 -10.376) 10.376 16.903 ( 0.000 -0.000 -10.376) 10.376 17.380 ( 0.000 0.000 -8.023) 8.023 17.449 ( 0.000 -0.000 -8.584) 8.584 17.449 ( 0.000 -0.000 -8.584) 8.584 17.449 ( 0.000 0.000 -7.525) 7.525 18.159 ( 0.000 0.000 8.680) 8.680 18.817 ( 0.000 0.000 -6.575) 6.575 ======================= Grid point 56 (10/32) ======================= q-point: ( 0.14 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 18.864 10.891 17.275) 27.801 0.938 ( 22.675 13.092 18.122) 31.843 1.137 ( 28.366 16.377 24.140) 40.688 2.117 ( 0.989 0.571 -20.399) 20.431 2.166 ( 3.042 1.756 -16.590) 16.958 2.775 ( 1.776 1.026 -1.336) 2.448 2.780 ( -9.390 -5.421 1.372) 10.929 2.905 ( -0.633 -0.365 0.319) 0.798 3.028 ( 0.568 0.328 13.243) 13.259 3.124 ( 1.543 0.891 -14.209) 14.320 3.194 ( -9.602 -5.544 13.563) 17.518 3.370 ( -15.082 -8.708 -10.268) 20.217 3.484 ( -0.306 -0.176 0.283) 0.453 3.516 ( -0.218 -0.126 2.579) 2.591 3.572 ( -1.442 -0.833 4.049) 4.378 3.583 ( 3.572 2.062 0.296) 4.135 3.724 ( -6.230 -3.597 2.356) 7.570 3.748 ( 3.714 2.145 4.486) 6.206 3.805 ( 5.561 3.211 -2.476) 6.883 3.824 ( 4.142 2.391 3.407) 5.872 3.985 ( 5.133 2.964 -1.418) 6.095 3.992 ( -0.462 -0.266 -3.785) 3.822 4.067 ( -0.220 -0.127 1.277) 1.302 4.133 ( 5.646 3.260 -1.436) 6.676 4.154 ( 5.705 3.294 0.478) 6.605 4.206 ( 0.918 0.530 -3.826) 3.970 4.223 ( -2.684 -1.549 -3.757) 4.870 4.331 ( 3.147 1.817 3.070) 4.757 4.360 ( -0.486 -0.280 -3.499) 3.543 4.398 ( 4.588 2.649 0.387) 5.312 4.441 ( 1.468 0.848 -3.304) 3.714 4.529 ( 4.572 2.639 -6.160) 8.113 4.606 ( -2.824 -1.631 -6.256) 7.055 4.721 ( 2.197 1.269 -3.735) 4.515 4.853 ( -1.404 -0.811 8.043) 8.205 4.932 ( -6.106 -3.525 -0.457) 7.065 4.954 ( -2.396 -1.384 1.517) 3.156 5.065 ( -3.105 -1.793 3.077) 4.725 5.132 ( 1.658 0.957 -2.795) 3.388 5.211 ( -0.827 -0.477 5.683) 5.762 5.229 ( 1.551 0.896 2.130) 2.783 5.293 ( -1.604 -0.926 13.267) 13.396 5.321 ( 0.237 0.137 5.974) 5.980 5.370 ( 1.269 0.733 3.836) 4.106 5.438 ( -1.038 -0.599 -0.527) 1.310 5.610 ( 7.653 4.418 -6.428) 10.927 5.637 ( 1.745 1.008 4.770) 5.179 5.800 ( -9.566 -5.523 -5.624) 12.395 5.886 ( -6.655 -3.842 -7.074) 10.445 6.050 ( -0.844 -0.487 -3.292) 3.433 6.057 ( -4.742 -2.738 3.803) 6.667 6.123 ( 2.507 1.447 0.973) 3.054 6.178 ( -2.783 -1.607 -5.071) 6.003 6.199 ( -10.523 -6.076 2.317) 12.370 6.303 ( 1.841 1.063 1.843) 2.813 6.308 ( -6.511 -3.759 4.041) 8.535 6.379 ( 2.626 1.516 6.295) 6.988 6.448 ( -9.127 -5.269 8.107) 13.296 6.593 ( -3.562 -2.057 -6.491) 7.685 6.743 ( -5.424 -3.132 -3.501) 7.175 6.865 ( -6.219 -3.591 6.406) 9.624 6.880 ( -7.848 -4.531 5.661) 10.686 6.961 ( -2.616 -1.511 11.358) 11.753 6.986 ( -0.407 -0.235 -0.909) 1.024 7.017 ( -2.783 -1.607 -6.866) 7.580 7.111 ( 2.534 1.463 8.365) 8.862 7.220 ( 7.463 4.309 6.897) 11.038 7.380 ( -7.607 -4.392 -2.340) 9.090 7.439 ( 2.187 1.263 -0.825) 2.657 7.483 ( -10.973 -6.335 1.088) 12.717 7.506 ( -8.860 -5.115 -3.848) 10.930 7.608 ( -10.519 -6.073 2.361) 12.374 7.742 ( -4.422 -2.553 -1.362) 5.285 7.750 ( 1.889 1.091 -5.609) 6.018 7.795 ( 1.817 1.049 1.959) 2.871 7.855 ( -9.742 -5.625 7.800) 13.689 7.855 ( -2.997 -1.730 -8.432) 9.115 8.004 ( 2.261 1.306 7.463) 7.906 8.006 ( -0.722 -0.417 -8.795) 8.834 8.037 ( 3.021 1.744 4.276) 5.518 8.166 ( -0.773 -0.446 -3.273) 3.393 8.205 ( -6.954 -4.015 -7.308) 10.857 8.271 ( -4.777 -2.758 -7.208) 9.076 8.316 ( 0.626 0.361 1.404) 1.579 8.381 ( 7.637 4.409 0.369) 8.827 8.469 ( -1.631 -0.942 -0.829) 2.058 8.550 ( 8.654 4.996 -8.500) 13.118 8.609 ( 1.436 0.829 -0.028) 1.659 8.609 ( 7.259 4.191 3.351) 9.028 8.693 ( 2.781 1.606 -0.623) 3.272 8.950 ( -3.559 -2.055 5.180) 6.612 8.971 ( -5.575 -3.219 -5.565) 8.509 9.144 ( 1.769 1.021 -2.123) 2.946 9.173 ( 0.037 0.022 0.692) 0.693 9.173 ( -3.760 -2.171 -4.056) 5.941 9.239 ( 3.436 1.984 2.457) 4.666 9.288 ( 0.460 0.266 -0.379) 0.653 9.334 ( -0.738 -0.426 -3.074) 3.189 9.423 ( -2.658 -1.535 -0.011) 3.069 9.431 ( 1.002 0.579 1.155) 1.635 9.607 ( 6.431 3.713 -1.347) 7.548 9.763 ( 3.391 1.958 -0.768) 3.990 9.775 ( -2.749 -1.587 -6.974) 7.663 9.803 ( -3.695 -2.133 8.789) 9.770 9.848 ( -0.190 -0.110 0.375) 0.435 9.892 ( 4.170 2.408 2.864) 5.603 10.058 ( -1.789 -1.033 -0.665) 2.170 10.119 ( -0.417 -0.241 7.586) 7.601 10.297 ( -4.081 -2.356 -8.326) 9.567 10.300 ( 6.178 3.567 4.529) 8.450 10.396 ( -0.448 -0.259 0.728) 0.893 10.414 ( -4.329 -2.500 0.737) 5.053 10.441 ( -5.016 -2.896 -0.949) 5.869 10.585 ( -0.010 -0.006 -1.043) 1.043 10.694 ( 1.187 0.686 1.552) 2.071 10.795 ( 3.806 2.197 -3.352) 5.527 10.818 ( 1.634 0.943 -4.027) 4.446 10.859 ( 0.367 0.212 -3.013) 3.043 10.975 ( 2.359 1.362 5.227) 5.894 11.160 ( -4.973 -2.871 4.129) 7.073 11.208 ( -2.227 -1.286 6.912) 7.375 11.470 ( -5.100 -2.945 0.118) 5.890 11.485 ( -7.438 -4.294 5.715) 10.316 11.525 ( 0.331 0.191 -1.315) 1.369 11.651 ( 0.183 0.106 5.596) 5.600 11.652 ( -1.349 -0.779 -0.716) 1.714 11.692 ( -3.814 -2.202 4.304) 6.158 11.756 ( -0.771 -0.445 0.277) 0.932 11.863 ( -10.712 -6.185 -1.202) 12.427 11.879 ( 4.957 2.862 4.720) 7.419 11.944 ( 3.261 1.883 -1.015) 3.900 11.982 ( 0.501 0.289 -8.225) 8.245 12.128 ( -0.057 -0.033 -3.673) 3.673 12.161 ( 3.645 2.104 -9.161) 10.082 12.185 ( 4.884 2.820 -4.670) 7.322 12.205 ( 4.740 2.737 -4.620) 7.163 12.356 ( 4.594 2.652 6.476) 8.372 12.381 ( 2.618 1.511 -4.719) 5.604 12.419 ( -0.943 -0.544 2.674) 2.887 12.552 ( 2.701 1.559 1.758) 3.580 12.585 ( 0.216 0.125 3.802) 3.810 12.619 ( 1.780 1.028 2.648) 3.352 12.765 ( 1.478 0.853 1.081) 2.020 12.809 ( 3.652 2.108 3.149) 5.262 12.886 ( 7.067 4.080 0.143) 8.162 12.886 ( 3.340 1.928 1.601) 4.175 13.144 ( 1.285 0.742 -1.063) 1.826 13.194 ( 2.043 1.180 1.473) 2.781 13.206 ( 1.289 0.744 -1.144) 1.877 13.265 ( 3.010 1.738 1.170) 3.667 13.527 ( 12.096 6.984 3.828) 14.483 13.559 ( 8.557 4.941 4.774) 10.974 13.592 ( 17.929 10.351 -0.534) 20.709 13.746 ( 0.388 0.224 -9.244) 9.255 13.842 ( 10.039 5.796 0.481) 11.603 13.849 ( 10.584 6.110 -1.573) 12.322 14.082 ( 4.836 2.792 -12.323) 13.529 14.241 ( 5.460 3.153 -1.178) 6.414 14.419 ( -0.050 -0.029 -6.270) 6.270 14.610 ( -5.450 -3.147 -1.304) 6.427 14.697 ( -1.401 -0.809 -8.533) 8.685 14.864 ( 18.093 10.446 -2.013) 20.988 15.056 ( 9.603 5.545 -5.742) 12.488 15.083 ( 7.524 4.344 -1.494) 8.816 15.431 ( -12.216 -7.053 13.495) 19.521 15.682 ( 1.628 0.940 19.188) 19.280 15.807 ( -3.715 -2.145 16.256) 16.812 15.864 ( 4.473 2.582 17.813) 18.547 16.169 ( -6.984 -4.032 6.871) 10.594 16.545 ( -2.468 -1.425 6.690) 7.272 16.558 ( -1.661 -0.959 10.541) 10.714 16.743 ( -8.572 -4.949 -12.355) 15.831 16.772 ( -8.590 -4.959 -7.768) 12.599 16.968 ( -1.949 -1.125 -13.928) 14.108 17.281 ( -8.854 -5.112 -7.215) 12.513 17.367 ( -5.851 -3.378 -6.547) 9.408 17.492 ( 2.712 1.566 -8.973) 9.504 17.540 ( 7.573 4.373 -9.867) 13.185 18.053 ( -9.287 -5.362 7.881) 13.308 18.806 ( -3.227 -1.863 -15.659) 16.096 ======================= Grid point 57 (11/32) ======================= q-point: ( 0.29 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 21.881 12.633 17.845) 30.933 1.472 ( 25.366 14.645 10.632) 31.160 1.831 ( 27.861 16.086 7.814) 33.106 2.161 ( 2.896 1.672 -16.204) 16.545 2.269 ( 5.616 3.242 -7.752) 10.107 2.554 ( -7.129 -4.116 3.032) 8.773 2.712 ( -9.721 -5.613 -1.886) 11.383 2.884 ( -13.023 -7.519 13.012) 19.886 2.937 ( -4.552 -2.628 1.459) 5.455 2.977 ( -5.147 -2.971 -4.099) 7.219 3.042 ( -3.515 -2.029 9.208) 10.063 3.247 ( 4.506 2.601 -10.550) 11.763 3.475 ( -7.120 -4.111 -0.758) 8.257 3.483 ( -3.232 -1.866 3.353) 5.018 3.526 ( 3.135 1.810 -2.132) 4.201 3.598 ( -2.869 -1.657 7.128) 7.861 3.722 ( 6.968 4.023 0.959) 8.102 3.861 ( 4.166 2.405 -0.270) 4.818 3.868 ( -0.367 -0.212 -1.397) 1.460 3.888 ( 3.914 2.259 3.239) 5.560 3.952 ( 0.263 0.152 -4.870) 4.879 4.048 ( 1.301 0.751 -0.432) 1.563 4.141 ( 4.769 2.754 -0.379) 5.520 4.220 ( -1.945 -1.123 -2.006) 3.011 4.245 ( 7.074 4.084 -4.598) 9.373 4.294 ( 6.250 3.609 -2.316) 7.580 4.305 ( 6.510 3.758 -2.391) 7.888 4.357 ( -0.421 -0.243 -1.555) 1.629 4.359 ( -2.013 -1.162 -0.646) 2.412 4.409 ( -0.932 -0.538 -3.725) 3.877 4.496 ( 3.025 1.746 -0.740) 3.570 4.579 ( 3.683 2.126 0.093) 4.254 4.674 ( 4.516 2.607 -2.935) 5.984 4.749 ( -1.835 -1.059 -2.255) 3.094 4.802 ( -2.831 -1.634 5.669) 6.544 4.836 ( -6.933 -4.003 -1.719) 8.188 4.908 ( 6.295 3.635 5.666) 9.216 4.965 ( -6.276 -3.624 6.284) 9.592 5.157 ( -4.240 -2.448 14.855) 15.642 5.161 ( 0.402 0.232 5.726) 5.744 5.224 ( -3.841 -2.218 1.432) 4.661 5.250 ( -0.497 -0.287 -3.126) 3.179 5.308 ( -2.793 -1.613 -1.093) 3.405 5.401 ( -1.682 -0.971 -2.703) 3.328 5.444 ( 4.841 2.795 9.638) 11.141 5.619 ( -2.702 -1.560 -11.863) 12.266 5.674 ( -11.705 -6.758 -6.958) 15.202 5.732 ( 3.349 1.933 5.717) 6.902 5.764 ( 1.780 1.028 -5.427) 5.804 5.928 ( -4.472 -2.582 5.349) 7.435 6.008 ( -2.118 -1.223 -0.365) 2.473 6.019 ( -4.601 -2.656 -3.011) 6.107 6.030 ( -6.183 -3.570 -5.916) 9.272 6.126 ( -2.456 -1.418 -4.453) 5.280 6.254 ( -6.839 -3.949 -0.628) 7.923 6.292 ( 2.573 1.486 -2.500) 3.883 6.307 ( -2.680 -1.547 5.287) 6.126 6.437 ( 1.407 0.813 5.280) 5.525 6.586 ( -4.892 -2.824 -4.344) 7.126 6.588 ( -0.371 -0.214 1.916) 1.963 6.772 ( -4.401 -2.541 2.747) 5.777 6.778 ( 0.616 0.356 9.895) 9.920 6.894 ( -6.814 -3.934 -2.210) 8.173 6.925 ( -1.070 -0.617 10.605) 10.677 6.938 ( -3.559 -2.055 -9.771) 10.600 7.008 ( -8.547 -4.935 4.040) 10.665 7.170 ( -9.342 -5.394 6.702) 12.700 7.229 ( -5.875 -3.392 2.509) 7.233 7.288 ( -12.735 -7.353 -1.924) 14.830 7.369 ( -5.169 -2.984 5.985) 8.452 7.386 ( 0.679 0.392 2.500) 2.620 7.500 ( -0.176 -0.102 -3.088) 3.094 7.636 ( -5.971 -3.448 6.659) 9.586 7.680 ( -4.718 -2.724 -5.125) 7.479 7.713 ( -5.205 -3.005 -11.241) 12.747 7.793 ( -0.495 -0.286 2.700) 2.760 7.882 ( 1.960 1.132 -5.512) 5.959 7.958 ( -5.845 -3.374 -5.673) 8.816 8.043 ( -1.666 -0.962 -5.944) 6.247 8.064 ( 2.217 1.280 6.966) 7.422 8.120 ( -0.307 -0.177 0.509) 0.620 8.141 ( 2.284 1.319 2.597) 3.702 8.203 ( 0.154 0.089 -1.960) 1.968 8.358 ( 1.804 1.041 -1.742) 2.715 8.416 ( -2.257 -1.303 1.936) 3.247 8.508 ( 3.032 1.750 0.705) 3.571 8.596 ( -0.840 -0.485 1.287) 1.611 8.685 ( 2.659 1.535 -3.906) 4.968 8.729 ( 1.785 1.030 0.974) 2.279 8.761 ( 3.192 1.843 7.175) 8.066 8.831 ( -4.113 -2.374 4.817) 6.764 8.880 ( -2.275 -1.314 -1.567) 3.059 9.084 ( -3.336 -1.926 -0.875) 3.950 9.145 ( 1.195 0.690 -8.152) 8.268 9.259 ( 1.894 1.093 1.933) 2.919 9.287 ( -1.182 -0.683 4.575) 4.774 9.329 ( 1.479 0.854 -0.753) 1.866 9.330 ( 4.934 2.849 -2.444) 6.199 9.419 ( 2.064 1.192 -3.314) 4.082 9.474 ( 3.125 1.804 -0.000) 3.609 9.636 ( -5.052 -2.917 3.059) 6.587 9.656 ( -1.113 -0.643 -1.446) 1.935 9.690 ( -2.799 -1.616 -1.453) 3.544 9.740 ( -3.560 -2.055 2.768) 4.956 9.951 ( -0.191 -0.110 -5.213) 5.218 10.019 ( 4.550 2.627 -1.677) 5.515 10.117 ( -0.813 -0.470 7.204) 7.265 10.192 ( 11.237 6.487 -1.890) 13.112 10.207 ( -2.327 -1.344 -5.390) 6.022 10.274 ( -7.203 -4.159 6.560) 10.593 10.365 ( -2.245 -1.296 1.938) 3.236 10.374 ( 1.209 0.698 -3.298) 3.582 10.458 ( 6.262 3.615 -0.794) 7.274 10.542 ( -1.801 -1.040 -0.570) 2.156 10.713 ( 1.141 0.659 -4.624) 4.808 10.804 ( -0.628 -0.363 -2.545) 2.646 10.879 ( -0.857 -0.495 -2.448) 2.640 10.906 ( 3.654 2.110 -1.095) 4.359 10.988 ( 0.214 0.124 8.154) 8.158 11.060 ( -3.269 -1.887 2.937) 4.783 11.178 ( -0.021 -0.012 5.682) 5.682 11.303 ( -7.706 -4.449 5.684) 10.559 11.361 ( -3.558 -2.054 -1.163) 4.269 11.511 ( -1.317 -0.760 1.107) 1.881 11.598 ( -4.560 -2.632 -0.546) 5.293 11.623 ( -1.444 -0.834 -2.218) 2.775 11.625 ( -5.789 -3.342 -1.743) 6.907 11.731 ( 0.472 0.273 3.591) 3.632 11.799 ( 3.113 1.797 1.965) 4.097 11.935 ( 1.620 0.936 -1.846) 2.628 12.017 ( 2.537 1.465 -2.824) 4.069 12.087 ( 5.608 3.238 -3.834) 7.526 12.116 ( 0.252 0.146 -0.283) 0.407 12.219 ( 2.693 1.555 -7.332) 7.964 12.254 ( 0.954 0.551 -2.532) 2.761 12.313 ( 3.430 1.981 -2.541) 4.706 12.384 ( 1.510 0.872 0.276) 1.766 12.451 ( 3.621 2.090 6.223) 7.497 12.472 ( 3.058 1.766 0.999) 3.670 12.557 ( -2.076 -1.199 -2.203) 3.255 12.606 ( 1.335 0.770 0.185) 1.552 12.662 ( 2.021 1.167 -0.171) 2.340 12.819 ( 2.936 1.695 2.137) 4.007 12.889 ( 1.912 1.104 2.947) 3.682 13.005 ( 6.664 3.848 -1.302) 7.804 13.072 ( 7.992 4.614 -4.757) 10.382 13.153 ( -4.868 -2.810 -1.514) 5.821 13.223 ( 5.120 2.956 -1.672) 6.144 13.278 ( 6.928 4.000 2.750) 8.459 13.335 ( 3.367 1.944 1.966) 4.357 13.677 ( -0.791 -0.457 -0.374) 0.987 13.796 ( 11.039 6.373 5.093) 13.727 13.836 ( 13.210 7.627 1.850) 15.365 13.961 ( 14.261 8.234 2.764) 16.697 14.062 ( 10.588 6.113 -1.337) 12.299 14.171 ( 15.744 9.090 3.444) 18.503 14.204 ( 5.565 3.213 -9.609) 11.560 14.399 ( -0.375 -0.216 6.860) 6.874 14.463 ( 2.473 1.428 -0.873) 2.986 14.721 ( 20.326 11.735 -4.666) 23.930 14.725 ( 5.288 3.053 -7.864) 9.956 14.994 ( -8.706 -5.026 10.277) 14.376 15.258 ( -1.187 -0.685 2.821) 3.136 15.351 ( 16.841 9.723 -7.114) 20.706 15.356 ( 17.489 10.097 -3.393) 20.477 15.638 ( -10.027 -5.789 14.079) 18.228 15.727 ( 1.435 0.828 16.815) 16.897 15.875 ( -5.940 -3.429 7.698) 10.310 16.029 ( -2.882 -1.664 11.361) 11.838 16.357 ( -14.271 -8.239 -6.232) 17.617 16.464 ( -10.956 -6.325 0.332) 12.655 16.527 ( -5.712 -3.298 0.423) 6.609 16.698 ( 3.230 1.865 6.544) 7.532 16.807 ( -11.570 -6.680 -11.157) 17.405 17.018 ( -14.248 -8.226 -5.464) 17.335 17.180 ( -10.500 -6.062 -6.577) 13.793 17.541 ( 1.336 0.771 -9.549) 9.673 17.741 ( 9.933 5.735 -10.404) 15.485 17.783 ( -14.469 -8.354 6.301) 17.856 18.661 ( -9.242 -5.336 -18.910) 21.713 ======================= Grid point 58 (12/32) ======================= q-point: ( 0.43 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 18.758 10.830 17.621) 27.922 1.920 ( -10.204 -5.891 8.913) 14.774 2.020 ( 23.772 13.725 6.227) 28.147 2.243 ( 2.442 1.410 -7.913) 8.400 2.301 ( -12.393 -7.155 -1.550) 14.394 2.359 ( -11.795 -6.810 0.134) 13.620 2.576 ( -5.152 -2.975 6.621) 8.901 2.764 ( -4.999 -2.886 -5.184) 7.758 2.880 ( 13.682 7.900 -2.592) 16.010 2.955 ( 4.116 2.376 3.375) 5.829 3.040 ( 4.315 2.491 4.531) 6.734 3.330 ( -0.511 -0.295 -6.904) 6.930 3.402 ( -2.547 -1.471 2.092) 3.609 3.418 ( 5.611 3.239 -1.725) 6.705 3.546 ( -2.713 -1.567 11.667) 12.081 3.604 ( 3.917 2.261 -2.114) 4.992 3.833 ( -11.241 -6.490 2.558) 13.230 3.852 ( 1.253 0.723 -0.093) 1.450 3.886 ( 0.695 0.401 0.699) 1.064 3.902 ( -0.365 -0.210 -0.203) 0.468 4.029 ( 4.561 2.633 -1.972) 5.624 4.065 ( 1.785 1.031 -1.921) 2.818 4.167 ( 3.644 2.104 -6.517) 7.757 4.216 ( -4.900 -2.829 -3.684) 6.751 4.250 ( 0.371 0.214 -4.532) 4.552 4.263 ( 0.874 0.504 -3.595) 3.734 4.408 ( 3.303 1.907 -6.699) 7.709 4.411 ( 0.894 0.516 -0.613) 1.201 4.471 ( 0.661 0.382 0.423) 0.873 4.480 ( 5.926 3.422 -1.240) 6.955 4.598 ( 9.419 5.438 1.068) 10.928 4.649 ( -3.064 -1.769 7.147) 7.974 4.657 ( -7.693 -4.441 -1.441) 8.999 4.672 ( 2.189 1.264 1.732) 3.064 4.750 ( 3.615 2.087 0.442) 4.197 4.773 ( -3.964 -2.288 3.726) 5.902 4.825 ( -3.824 -2.208 5.338) 6.927 5.041 ( -5.810 -3.355 5.856) 8.905 5.067 ( 0.097 0.056 3.014) 3.016 5.155 ( -3.526 -2.036 4.993) 6.443 5.157 ( -3.190 -1.842 4.909) 6.137 5.185 ( 5.433 3.137 0.208) 6.277 5.263 ( 0.324 0.187 0.715) 0.807 5.323 ( -5.812 -3.356 0.744) 6.752 5.479 ( -6.314 -3.646 4.573) 8.607 5.513 ( 1.125 0.650 -5.092) 5.255 5.653 ( -0.937 -0.541 0.803) 1.347 5.657 ( -7.293 -4.211 -5.447) 10.030 5.682 ( 4.074 2.352 -4.423) 6.457 5.945 ( -2.329 -1.345 -8.822) 9.222 5.952 ( -1.233 -0.712 -2.634) 2.994 6.035 ( 9.158 5.287 -1.066) 10.628 6.066 ( -2.748 -1.587 -3.828) 4.973 6.083 ( 4.665 2.693 -6.684) 8.585 6.109 ( -3.115 -1.799 -0.563) 3.641 6.248 ( -2.954 -1.705 5.153) 6.180 6.355 ( -7.570 -4.370 6.118) 10.669 6.390 ( 5.208 3.007 3.702) 7.062 6.540 ( -5.457 -3.151 1.764) 6.544 6.545 ( -2.079 -1.200 -6.458) 6.890 6.676 ( -4.933 -2.848 2.162) 6.093 6.708 ( 0.477 0.276 -4.263) 4.299 6.810 ( -0.883 -0.510 8.977) 9.035 6.886 ( -2.513 -1.451 0.861) 3.027 6.908 ( -4.510 -2.604 9.496) 10.830 6.964 ( 0.752 0.434 2.744) 2.878 7.046 ( -3.301 -1.906 -3.481) 5.162 7.110 ( 5.749 3.319 -4.215) 7.863 7.136 ( 0.082 0.047 3.918) 3.919 7.311 ( -1.861 -1.074 0.121) 2.152 7.374 ( 1.227 0.709 -2.167) 2.589 7.468 ( -2.348 -1.356 0.140) 2.715 7.472 ( -4.931 -2.847 -4.463) 7.234 7.601 ( -3.750 -2.165 -8.893) 9.891 7.619 ( -5.863 -3.385 0.860) 6.825 7.771 ( -7.756 -4.478 -3.009) 9.448 7.845 ( -3.899 -2.251 3.354) 5.614 7.879 ( 6.304 3.640 5.620) 9.196 8.056 ( 0.185 0.107 -0.445) 0.494 8.088 ( 1.190 0.687 -0.336) 1.414 8.141 ( -0.563 -0.325 -0.223) 0.688 8.147 ( 1.751 1.011 -3.321) 3.888 8.309 ( 6.881 3.973 3.657) 8.746 8.339 ( -1.543 -0.891 -1.630) 2.415 8.430 ( -7.605 -4.391 2.661) 9.176 8.437 ( 2.511 1.450 4.195) 5.099 8.669 ( -2.444 -1.411 1.125) 3.038 8.679 ( 1.626 0.939 -2.167) 2.867 8.705 ( 4.687 2.706 1.964) 5.758 8.800 ( 0.123 0.071 7.731) 7.733 8.852 ( -0.716 -0.413 2.402) 2.540 8.873 ( 2.779 1.604 3.409) 4.681 9.022 ( -2.418 -1.396 -2.074) 3.478 9.180 ( 0.108 0.062 -6.164) 6.165 9.241 ( -1.996 -1.152 6.186) 6.601 9.249 ( -1.501 -0.867 1.735) 2.452 9.364 ( 2.174 1.255 0.086) 2.511 9.411 ( 1.255 0.724 -3.880) 4.142 9.458 ( 0.929 0.536 -3.924) 4.067 9.554 ( 1.548 0.894 0.578) 1.878 9.582 ( -0.673 -0.389 -0.207) 0.805 9.642 ( 2.683 1.549 -5.214) 6.065 9.664 ( -0.013 -0.007 0.765) 0.765 9.675 ( -1.908 -1.101 0.992) 2.416 9.945 ( 0.332 0.191 0.135) 0.406 10.023 ( -6.169 -3.562 9.571) 11.931 10.027 ( -4.224 -2.439 -0.513) 4.904 10.179 ( 1.063 0.614 -2.303) 2.610 10.194 ( -0.045 -0.026 5.128) 5.128 10.321 ( 0.362 0.209 -3.462) 3.487 10.339 ( 1.209 0.698 0.786) 1.602 10.446 ( 3.943 2.277 -5.210) 6.919 10.524 ( -0.283 -0.163 -0.722) 0.792 10.596 ( 0.841 0.485 -7.089) 7.155 10.715 ( -1.124 -0.649 -9.360) 9.450 10.821 ( 2.684 1.550 -0.247) 3.109 10.850 ( 0.461 0.266 1.682) 1.764 10.902 ( -2.087 -1.205 7.647) 8.018 11.031 ( 0.750 0.433 3.590) 3.693 11.062 ( 4.557 2.631 0.198) 5.266 11.175 ( -2.875 -1.660 1.141) 3.510 11.213 ( 2.992 1.727 4.571) 5.730 11.329 ( 0.127 0.073 -2.032) 2.037 11.468 ( -2.448 -1.414 2.581) 3.828 11.486 ( -4.073 -2.351 -3.678) 5.970 11.558 ( -0.776 -0.448 0.487) 1.020 11.612 ( 1.127 0.651 -1.636) 2.091 11.730 ( -1.450 -0.837 1.221) 2.073 11.812 ( -3.899 -2.251 3.233) 5.543 11.977 ( 1.214 0.701 -2.502) 2.868 12.034 ( -2.805 -1.619 -2.439) 4.054 12.038 ( -0.626 -0.362 -5.660) 5.706 12.185 ( -0.211 -0.122 0.031) 0.245 12.268 ( 1.651 0.953 -4.267) 4.673 12.335 ( 5.977 3.451 -7.935) 10.516 12.358 ( 1.720 0.993 -0.453) 2.037 12.445 ( 1.981 1.143 0.941) 2.473 12.483 ( -1.496 -0.864 4.055) 4.408 12.520 ( 0.798 0.461 -4.697) 4.787 12.538 ( 3.115 1.799 2.500) 4.381 12.623 ( 0.886 0.512 0.459) 1.121 12.659 ( -3.776 -2.180 -2.139) 4.856 12.874 ( 2.227 1.286 3.144) 4.062 12.883 ( -1.947 -1.124 2.321) 3.231 13.050 ( -0.240 -0.139 -4.597) 4.605 13.102 ( 3.004 1.735 -3.239) 4.746 13.252 ( 5.228 3.019 3.494) 6.975 13.325 ( -2.076 -1.199 0.174) 2.404 13.362 ( 8.017 4.629 -4.540) 10.311 13.543 ( 10.512 6.069 4.871) 13.079 13.687 ( -0.067 -0.039 7.625) 7.626 13.982 ( 2.759 1.593 0.975) 3.332 14.019 ( 3.931 2.269 -6.344) 7.801 14.109 ( -0.116 -0.067 -5.371) 5.373 14.239 ( -6.618 -3.821 6.983) 10.351 14.254 ( 4.441 2.564 2.905) 5.894 14.403 ( 10.440 6.027 6.459) 13.676 14.484 ( 3.078 1.777 12.454) 12.952 14.529 ( 5.982 3.453 3.204) 7.614 14.909 ( 10.124 5.845 -2.892) 12.042 14.917 ( 7.628 4.404 4.862) 10.061 15.144 ( 2.113 1.220 -3.514) 4.278 15.225 ( 7.345 4.241 0.461) 8.494 15.358 ( -14.506 -8.375 11.821) 20.502 15.530 ( -0.684 -0.395 5.885) 5.938 15.712 ( 5.463 3.154 2.059) 6.635 15.824 ( -18.037 -10.414 -3.147) 21.064 15.824 ( 11.376 6.568 1.770) 13.254 15.892 ( 11.348 6.552 -4.329) 13.801 16.157 ( -1.778 -1.027 5.000) 5.405 16.253 ( -3.095 -1.787 -5.540) 6.593 16.361 ( -13.054 -7.537 -3.345) 15.440 16.574 ( -5.759 -3.325 4.756) 8.175 16.703 ( -9.672 -5.584 -3.770) 11.787 16.874 ( 8.211 4.741 8.751) 12.902 16.969 ( -6.940 -4.007 -6.913) 10.583 17.442 ( -11.144 -6.434 4.094) 13.503 17.585 ( -0.638 -0.368 -8.511) 8.543 17.930 ( 5.411 3.124 -12.616) 14.078 18.466 ( -6.166 -3.560 -18.026) 19.381 ======================= Grid point 59 (13/32) ======================= q-point: (-0.43 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -18.282 -10.555 13.804) 25.223 1.790 ( -24.847 -14.345 -2.502) 28.800 2.151 ( -9.609 -5.548 -3.019) 11.499 2.185 ( 4.985 2.878 10.848) 12.281 2.326 ( 13.423 7.750 7.864) 17.380 2.529 ( -0.933 -0.539 0.565) 1.217 2.560 ( 21.535 12.433 4.738) 25.314 2.744 ( 2.570 1.484 -3.446) 4.548 2.782 ( -5.210 -3.008 -8.835) 10.689 3.098 ( -0.608 -0.351 1.232) 1.418 3.126 ( -17.047 -9.842 5.402) 20.412 3.314 ( -3.920 -2.263 -0.775) 4.592 3.373 ( 5.210 3.008 -3.183) 6.806 3.472 ( -1.412 -0.815 8.977) 9.124 3.534 ( 3.803 2.196 2.117) 4.875 3.710 ( 4.604 2.658 4.135) 6.735 3.720 ( 16.117 9.305 1.383) 18.661 3.893 ( -0.788 -0.455 0.327) 0.967 3.900 ( -0.185 -0.107 0.029) 0.216 3.925 ( -1.279 -0.738 2.444) 2.855 4.018 ( -3.213 -1.855 -3.874) 5.364 4.102 ( -3.809 -2.199 -6.505) 7.853 4.122 ( 0.623 0.360 -9.849) 9.875 4.147 ( -4.547 -2.625 -3.882) 6.530 4.268 ( -2.420 -1.397 -3.154) 4.213 4.293 ( -2.834 -1.636 -0.255) 3.282 4.396 ( -2.955 -1.706 0.376) 3.433 4.408 ( -1.037 -0.599 -3.431) 3.634 4.505 ( 5.215 3.011 -6.514) 8.871 4.530 ( -3.462 -1.999 1.856) 4.408 4.557 ( 3.633 2.098 2.029) 4.660 4.608 ( 2.462 1.421 2.256) 3.629 4.640 ( -4.738 -2.735 4.613) 7.156 4.654 ( -2.123 -1.226 -1.294) 2.772 4.734 ( -3.909 -2.257 1.142) 4.656 4.778 ( -1.893 -1.093 0.771) 2.318 4.882 ( -5.673 -3.276 9.245) 11.331 4.984 ( 15.217 8.786 -1.432) 17.630 5.017 ( -8.078 -4.664 8.682) 12.743 5.105 ( 3.929 2.269 -0.326) 4.549 5.117 ( -0.157 -0.091 7.740) 7.742 5.233 ( -1.539 -0.889 -1.412) 2.270 5.241 ( 0.731 0.422 -1.832) 2.017 5.338 ( 0.740 0.427 1.495) 1.722 5.441 ( 8.125 4.691 5.906) 11.086 5.559 ( 1.982 1.144 -8.957) 9.245 5.596 ( -3.132 -1.808 4.576) 5.832 5.688 ( 10.384 5.995 -2.103) 12.173 5.885 ( 10.805 6.238 -7.120) 14.365 5.894 ( -3.089 -1.783 -7.398) 8.213 5.924 ( -0.723 -0.417 -2.333) 2.477 5.981 ( -4.658 -2.689 -3.811) 6.592 6.043 ( -0.819 -0.473 -0.039) 0.946 6.144 ( -4.002 -2.311 2.604) 5.305 6.158 ( -4.017 -2.319 3.534) 5.831 6.182 ( 3.567 2.059 -7.088) 8.198 6.267 ( 2.153 1.243 1.116) 2.725 6.374 ( -7.146 -4.126 -2.464) 8.612 6.508 ( 4.829 2.788 4.553) 7.199 6.571 ( 5.984 3.455 -3.865) 7.917 6.727 ( -4.900 -2.829 4.272) 7.089 6.743 ( -1.949 -1.125 0.178) 2.258 6.778 ( 12.116 6.995 8.490) 16.364 6.781 ( 1.444 0.834 1.932) 2.552 6.896 ( 2.407 1.390 6.448) 7.021 7.023 ( 4.541 2.621 4.932) 7.198 7.055 ( 1.702 0.983 -5.694) 6.024 7.192 ( 0.393 0.227 1.246) 1.326 7.237 ( 4.950 2.858 5.058) 7.633 7.366 ( -0.955 -0.551 -4.778) 4.903 7.395 ( -6.843 -3.951 -9.837) 12.618 7.415 ( 3.745 2.162 -3.122) 5.333 7.509 ( 12.993 7.501 0.203) 15.004 7.532 ( 1.998 1.154 1.318) 2.658 7.561 ( -0.039 -0.022 0.931) 0.932 7.707 ( 3.725 2.151 -0.468) 4.327 7.804 ( 1.099 0.634 0.314) 1.307 7.940 ( -0.136 -0.079 6.033) 6.035 8.080 ( -2.057 -1.188 -4.489) 5.079 8.096 ( 2.118 1.223 -0.241) 2.458 8.134 ( 1.101 0.636 -0.671) 1.438 8.190 ( -2.150 -1.241 -1.863) 3.104 8.256 ( -2.932 -1.693 -2.209) 4.042 8.299 ( -2.966 -1.712 -1.769) 3.855 8.440 ( 3.370 1.946 1.608) 4.210 8.457 ( -1.569 -0.906 5.072) 5.386 8.654 ( 0.461 0.266 2.916) 2.964 8.682 ( 1.223 0.706 -1.582) 2.121 8.745 ( -5.061 -2.922 2.793) 6.477 8.838 ( -0.421 -0.243 5.825) 5.845 8.867 ( 7.625 4.402 3.476) 9.466 8.899 ( 0.550 0.317 4.535) 4.579 8.989 ( -0.705 -0.407 -2.120) 2.271 9.109 ( -4.142 -2.391 3.196) 5.752 9.224 ( -0.598 -0.345 -0.162) 0.709 9.247 ( 1.048 0.605 1.438) 1.879 9.400 ( -2.300 -1.328 -4.935) 5.604 9.426 ( 3.142 1.814 -0.117) 3.630 9.474 ( 0.642 0.370 -4.941) 4.996 9.545 ( -0.691 -0.399 -0.079) 0.802 9.548 ( -2.078 -1.199 0.404) 2.433 9.656 ( 0.521 0.301 0.955) 1.128 9.683 ( 2.513 1.451 -1.258) 3.162 9.765 ( 4.997 2.885 -0.577) 5.799 9.875 ( -4.577 -2.643 8.443) 9.961 9.961 ( 0.924 0.533 1.230) 1.628 9.976 ( -1.920 -1.109 -4.037) 4.606 10.183 ( -1.128 -0.651 1.219) 1.784 10.234 ( 2.862 1.652 -0.462) 3.337 10.274 ( -3.522 -2.033 -4.043) 5.734 10.396 ( 2.614 1.509 3.255) 4.439 10.472 ( -3.811 -2.200 -6.791) 8.092 10.514 ( -0.536 -0.309 -1.084) 1.248 10.547 ( 0.229 0.132 -3.378) 3.388 10.665 ( -3.030 -1.749 -10.218) 10.800 10.847 ( 0.548 0.316 1.354) 1.495 10.867 ( -0.669 -0.386 7.838) 7.876 10.903 ( 1.436 0.829 2.813) 3.265 10.980 ( -3.540 -2.044 0.139) 4.090 11.186 ( 1.762 1.017 4.461) 4.903 11.221 ( 5.555 3.207 3.761) 7.436 11.286 ( 3.529 2.037 3.766) 5.549 11.314 ( -0.523 -0.302 -2.709) 2.775 11.451 ( 0.976 0.564 -4.285) 4.431 11.476 ( 4.690 2.708 -2.704) 6.053 11.580 ( 2.624 1.515 0.906) 3.162 11.622 ( -5.433 -3.137 3.148) 7.019 11.672 ( -3.346 -1.932 0.905) 3.968 11.707 ( 1.992 1.150 -1.974) 3.030 11.978 ( -0.727 -0.419 -2.291) 2.440 12.000 ( -2.473 -1.428 -5.873) 6.530 12.010 ( -0.864 -0.499 -2.024) 2.256 12.151 ( -2.166 -1.251 -1.528) 2.931 12.297 ( 0.801 0.463 -2.777) 2.927 12.325 ( -4.759 -2.748 -6.141) 8.241 12.377 ( -0.653 -0.377 -0.260) 0.798 12.447 ( -0.763 -0.440 -0.500) 1.013 12.461 ( -1.625 -0.938 0.707) 2.005 12.526 ( -5.894 -3.403 -1.158) 6.904 12.602 ( 2.071 1.196 3.970) 4.635 12.632 ( 5.724 3.305 -2.855) 7.200 12.645 ( 0.438 0.253 1.040) 1.157 12.840 ( -1.201 -0.693 0.637) 1.526 12.902 ( -0.104 -0.060 3.086) 3.089 13.099 ( 3.028 1.748 -2.473) 4.283 13.152 ( 1.079 0.623 -4.755) 4.915 13.233 ( -5.230 -3.019 1.086) 6.136 13.309 ( 0.552 0.319 3.181) 3.244 13.522 ( 2.786 1.608 -1.859) 3.715 13.582 ( -8.012 -4.626 4.807) 10.426 13.614 ( -5.431 -3.136 6.276) 8.873 13.908 ( -5.660 -3.268 -0.618) 6.565 14.009 ( -8.496 -4.905 -0.736) 9.837 14.045 ( -0.894 -0.516 -7.188) 7.262 14.068 ( -5.687 -3.283 1.856) 6.824 14.327 ( 1.118 0.646 0.663) 1.451 14.461 ( -3.006 -1.736 5.475) 6.482 14.487 ( -7.415 -4.281 12.969) 15.541 14.678 ( 2.771 1.600 7.964) 8.583 14.897 ( -6.075 -3.507 4.300) 8.228 15.031 ( -12.348 -7.129 9.991) 17.410 15.075 ( -13.569 -7.834 -5.982) 16.771 15.158 ( 10.513 6.070 -0.595) 12.154 15.390 ( 11.055 6.383 5.671) 13.969 15.457 ( -6.716 -3.878 -1.097) 7.833 15.608 ( -1.369 -0.790 -2.658) 3.092 15.699 ( -2.925 -1.689 9.175) 9.777 15.884 ( -14.291 -8.251 -4.112) 17.006 16.048 ( 1.443 0.833 -12.643) 12.752 16.111 ( 6.422 3.708 3.462) 8.184 16.216 ( 8.502 4.909 3.699) 10.491 16.494 ( 8.099 4.676 7.490) 11.982 16.584 ( 13.143 7.588 -0.505) 15.185 16.645 ( 4.165 2.404 -4.137) 6.343 16.935 ( -2.856 -1.649 9.533) 10.087 16.939 ( 4.211 2.431 -8.024) 9.382 17.425 ( 10.648 6.147 3.138) 12.689 17.581 ( 0.316 0.183 -8.632) 8.640 17.885 ( -8.488 -4.900 -14.598) 17.583 18.495 ( 7.773 4.487 -16.821) 19.066 ======================= Grid point 60 (14/32) ======================= q-point: (-0.29 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -16.102 -9.297 19.482) 26.931 1.243 ( -24.726 -14.275 2.621) 28.671 2.021 ( -1.554 -0.897 -13.776) 13.892 2.022 ( -28.150 -16.253 11.454) 34.464 2.284 ( -5.684 -3.281 -6.646) 9.341 2.674 ( -0.674 -0.389 0.296) 0.833 2.741 ( 13.546 7.821 3.720) 16.078 2.758 ( 2.422 1.398 -2.265) 3.599 2.955 ( 6.585 3.802 9.629) 12.270 2.965 ( 2.919 1.685 3.414) 4.798 3.124 ( 12.037 6.950 -2.129) 14.062 3.344 ( 3.733 2.155 -5.429) 6.932 3.467 ( 1.286 0.743 6.404) 6.574 3.477 ( 1.561 0.901 -1.106) 2.115 3.558 ( -2.606 -1.505 -1.575) 3.396 3.682 ( -6.649 -3.839 9.360) 12.106 3.757 ( -8.066 -4.657 1.470) 9.430 3.865 ( -1.265 -0.730 2.724) 3.091 3.905 ( -1.791 -1.034 0.985) 2.291 3.907 ( -6.884 -3.974 0.182) 7.951 3.988 ( -1.146 -0.661 -6.505) 6.638 4.004 ( 6.274 3.622 -2.394) 7.630 4.073 ( -5.126 -2.959 -3.042) 6.655 4.184 ( 0.215 0.124 -4.445) 4.452 4.220 ( 1.169 0.675 -7.569) 7.688 4.224 ( -2.078 -1.200 3.129) 3.943 4.317 ( -3.845 -2.220 -2.037) 4.885 4.327 ( -4.995 -2.884 -2.877) 6.445 4.477 ( -0.107 -0.062 -4.467) 4.469 4.480 ( -5.388 -3.111 1.338) 6.363 4.551 ( -6.519 -3.764 2.643) 7.978 4.590 ( -3.660 -2.113 -1.713) 4.560 4.602 ( -0.751 -0.434 -4.063) 4.154 4.695 ( 2.436 1.406 4.622) 5.411 4.749 ( 4.152 2.397 4.538) 6.601 4.769 ( 3.825 2.209 -5.059) 6.716 4.895 ( 8.010 4.625 4.632) 10.345 4.913 ( 0.444 0.256 6.504) 6.525 5.082 ( -2.869 -1.657 1.481) 3.629 5.128 ( 1.898 1.096 4.930) 5.396 5.208 ( 3.896 2.249 -1.620) 4.782 5.279 ( 4.450 2.569 -1.696) 5.412 5.347 ( -2.096 -1.210 4.294) 4.929 5.381 ( 6.778 3.913 -0.505) 7.843 5.485 ( -3.113 -1.797 14.191) 14.639 5.631 ( 4.866 2.809 -1.408) 5.792 5.705 ( 6.524 3.766 -6.050) 9.661 5.761 ( -3.115 -1.798 -7.060) 7.923 5.878 ( -0.566 -0.327 -6.740) 6.771 5.900 ( -0.019 -0.011 -6.140) 6.140 5.958 ( -3.144 -1.815 2.556) 4.440 5.983 ( 11.878 6.858 4.060) 14.303 6.102 ( 0.448 0.259 -0.424) 0.669 6.150 ( 5.495 3.172 3.240) 7.124 6.218 ( 6.701 3.869 -3.950) 8.688 6.240 ( 1.335 0.771 -5.274) 5.494 6.293 ( 0.841 0.486 -3.369) 3.506 6.312 ( 7.750 4.475 4.037) 9.818 6.535 ( -2.902 -1.675 4.276) 5.432 6.704 ( 0.736 0.425 4.720) 4.796 6.752 ( 7.952 4.591 6.732) 11.386 6.764 ( 10.175 5.874 3.062) 12.141 6.894 ( 4.887 2.822 -1.570) 5.858 6.907 ( -0.650 -0.375 3.541) 3.620 7.068 ( 8.305 4.795 3.952) 10.372 7.099 ( 1.538 0.888 -5.692) 5.963 7.137 ( 3.979 2.297 9.712) 10.744 7.227 ( -0.514 -0.297 -3.085) 3.142 7.258 ( 6.588 3.804 2.404) 7.978 7.287 ( -0.699 -0.404 -2.347) 2.482 7.340 ( 3.104 1.792 1.507) 3.888 7.591 ( 5.893 3.402 6.997) 9.760 7.599 ( 3.735 2.156 5.308) 6.839 7.629 ( 6.615 3.819 -8.487) 11.418 7.800 ( 2.185 1.261 2.694) 3.691 7.803 ( 6.873 3.968 -6.027) 9.965 7.880 ( 7.210 4.163 -5.023) 9.723 7.922 ( -1.367 -0.789 -0.915) 1.825 8.054 ( -1.274 -0.736 3.110) 3.440 8.059 ( 1.431 0.826 -2.165) 2.723 8.167 ( 0.355 0.205 -2.780) 2.810 8.177 ( 3.320 1.917 1.190) 4.014 8.224 ( -1.144 -0.660 1.918) 2.329 8.315 ( 2.999 1.731 -8.082) 8.792 8.371 ( -5.754 -3.322 2.388) 7.060 8.459 ( 0.185 0.107 -1.893) 1.905 8.542 ( -9.736 -5.621 -2.160) 11.447 8.693 ( -1.556 -0.898 -1.881) 2.601 8.718 ( 1.367 0.789 0.226) 1.595 8.800 ( -3.260 -1.882 7.816) 8.675 8.925 ( 1.569 0.906 7.229) 7.453 8.975 ( -0.300 -0.173 -3.270) 3.289 9.046 ( 7.974 4.604 0.916) 9.254 9.065 ( 0.321 0.186 0.276) 0.462 9.213 ( -0.592 -0.342 -1.258) 1.432 9.263 ( 0.505 0.292 3.451) 3.500 9.322 ( -4.164 -2.404 -3.569) 5.988 9.404 ( -4.412 -2.547 -3.794) 6.352 9.492 ( 0.266 0.153 -3.938) 3.950 9.523 ( -1.656 -0.956 1.215) 2.266 9.603 ( 7.196 4.155 4.715) 9.554 9.672 ( -0.784 -0.452 -1.862) 2.070 9.734 ( 1.093 0.631 5.086) 5.240 9.804 ( -1.204 -0.695 3.483) 3.751 9.867 ( 3.029 1.749 -2.658) 4.393 9.943 ( 0.191 0.110 -3.423) 3.430 9.995 ( 1.633 0.943 -2.428) 3.074 10.150 ( -1.559 -0.900 -1.858) 2.587 10.158 ( -2.712 -1.566 -1.739) 3.582 10.334 ( 1.814 1.048 0.499) 2.154 10.350 ( -6.223 -3.593 -3.182) 7.859 10.388 ( -0.300 -0.173 0.142) 0.375 10.559 ( 2.960 1.709 1.039) 3.572 10.567 ( 0.188 0.109 0.520) 0.563 10.626 ( 1.323 0.764 -5.336) 5.551 10.823 ( -3.647 -2.106 -0.781) 4.283 10.881 ( 1.687 0.974 7.335) 7.589 10.908 ( -3.197 -1.846 -0.390) 3.712 10.908 ( 0.038 0.022 0.211) 0.215 11.187 ( -2.243 -1.295 4.539) 5.226 11.202 ( -0.186 -0.107 2.344) 2.353 11.383 ( 5.584 3.224 9.324) 11.336 11.435 ( 6.541 3.777 2.004) 7.815 11.513 ( -2.644 -1.527 1.366) 3.345 11.521 ( 5.059 2.921 -4.348) 7.282 11.593 ( -2.101 -1.213 2.446) 3.445 11.607 ( 4.868 2.810 -3.675) 6.715 11.676 ( 4.487 2.591 0.783) 5.240 11.779 ( 1.719 0.993 -1.076) 2.258 11.935 ( -2.087 -1.205 -4.075) 4.735 11.952 ( -1.426 -0.824 -5.091) 5.351 12.014 ( 0.995 0.575 -6.291) 6.395 12.143 ( 2.271 1.311 1.365) 2.956 12.220 ( -3.660 -2.113 -0.160) 4.230 12.277 ( -3.013 -1.740 -0.539) 3.521 12.327 ( -3.417 -1.973 -2.769) 4.820 12.376 ( -6.589 -3.804 -1.296) 7.718 12.410 ( -4.248 -2.453 -0.882) 4.984 12.446 ( 0.330 0.191 -1.093) 1.157 12.579 ( -3.448 -1.991 2.603) 4.757 12.663 ( 1.153 0.665 -0.207) 1.347 12.667 ( -2.944 -1.700 0.673) 3.466 12.828 ( -0.923 -0.533 1.716) 2.020 12.871 ( -2.465 -1.423 2.728) 3.943 13.073 ( -5.773 -3.333 -2.305) 7.053 13.074 ( -6.662 -3.846 -0.263) 7.697 13.197 ( -1.171 -0.676 0.952) 1.653 13.299 ( -13.372 -7.720 3.505) 15.833 13.306 ( -0.452 -0.261 3.349) 3.389 13.425 ( -5.759 -3.325 -1.269) 6.770 13.570 ( -1.742 -1.006 -0.453) 2.062 13.746 ( -14.582 -8.419 1.799) 16.934 13.804 ( -3.411 -1.969 1.382) 4.174 13.968 ( -7.291 -4.210 -3.131) 8.983 14.058 ( 1.304 0.753 -5.001) 5.222 14.194 ( -13.636 -7.873 6.607) 17.075 14.243 ( -9.095 -5.251 -2.438) 10.782 14.262 ( -13.590 -7.846 2.360) 15.869 14.553 ( -19.226 -11.100 -7.805) 23.532 14.673 ( -1.697 -0.980 0.122) 1.964 14.829 ( -5.216 -3.011 4.541) 7.542 14.897 ( -5.172 -2.986 -0.861) 6.034 15.319 ( -3.836 -2.215 0.181) 4.433 15.379 ( -6.270 -3.620 -5.461) 9.068 15.431 ( -2.430 -1.403 6.594) 7.167 15.484 ( -5.977 -3.451 7.698) 10.339 15.722 ( 11.298 6.523 12.071) 17.774 15.753 ( 2.849 1.645 13.224) 13.628 16.170 ( 0.371 0.214 9.561) 9.570 16.249 ( 12.600 7.274 -12.433) 19.138 16.473 ( 10.850 6.264 3.489) 13.005 16.569 ( 3.462 1.999 8.116) 9.047 16.686 ( 1.054 0.609 1.499) 1.931 16.983 ( 16.763 9.678 -4.693) 19.917 17.042 ( 11.749 6.783 -3.166) 13.931 17.086 ( 7.180 4.145 -11.717) 14.354 17.527 ( -1.509 -0.871 -10.156) 10.305 17.668 ( -9.767 -5.639 -12.324) 16.706 17.775 ( 14.839 8.568 5.953) 18.140 18.692 ( 8.499 4.907 -17.938) 20.447 ======================= Grid point 61 (15/32) ======================= q-point: (-0.14 0.00 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -18.764 -10.833 14.171) 25.890 0.827 ( -11.405 -6.585 25.610) 28.798 1.260 ( -34.933 -20.168 21.323) 45.626 2.059 ( 3.706 2.140 -19.987) 20.440 2.192 ( -4.061 -2.345 -17.101) 17.732 2.777 ( -1.829 -1.056 -1.607) 2.654 2.784 ( 7.777 4.490 1.830) 9.165 2.921 ( 4.004 2.312 5.599) 7.261 2.945 ( 0.884 0.510 -3.381) 3.531 3.180 ( 10.581 6.109 13.670) 18.334 3.230 ( -9.591 -5.537 -6.822) 13.008 3.454 ( 5.062 2.923 -6.633) 8.841 3.511 ( 2.261 1.306 2.150) 3.383 3.514 ( 6.104 3.524 0.546) 7.069 3.530 ( 0.345 0.199 1.211) 1.275 3.614 ( 2.730 1.576 7.004) 7.680 3.621 ( -2.813 -1.624 1.271) 3.488 3.765 ( -4.840 -2.795 -1.618) 5.819 3.830 ( -4.644 -2.681 0.609) 5.397 3.843 ( -1.906 -1.100 3.417) 4.064 3.911 ( -4.758 -2.747 -0.865) 5.562 4.046 ( 0.296 0.171 -3.796) 3.811 4.055 ( -0.898 -0.519 -2.466) 2.675 4.144 ( -0.763 -0.441 0.178) 0.899 4.144 ( -6.129 -3.538 0.534) 7.097 4.222 ( -3.034 -1.752 -4.399) 5.623 4.242 ( 0.172 0.100 5.892) 5.896 4.289 ( 0.928 0.536 -7.939) 8.011 4.365 ( -4.578 -2.643 2.813) 5.988 4.413 ( -3.888 -2.245 -1.674) 4.791 4.478 ( -1.222 -0.705 -7.842) 7.968 4.496 ( -4.524 -2.612 -3.087) 6.068 4.619 ( 2.297 1.326 -7.222) 7.693 4.714 ( -0.733 -0.423 -0.336) 0.910 4.839 ( 2.932 1.693 3.339) 4.755 4.877 ( 6.705 3.871 6.992) 10.432 5.017 ( 3.721 2.148 -4.698) 6.366 5.046 ( 1.586 0.916 8.259) 8.460 5.066 ( 5.134 2.964 -4.226) 7.281 5.195 ( 2.940 1.697 2.732) 4.357 5.257 ( 1.996 1.153 6.392) 6.795 5.260 ( -4.485 -2.590 3.713) 6.373 5.348 ( 2.152 1.243 0.667) 2.573 5.365 ( -4.096 -2.365 13.372) 14.184 5.492 ( -1.223 -0.706 2.768) 3.108 5.587 ( -6.385 -3.686 -5.018) 8.918 5.633 ( -1.693 -0.978 2.320) 3.034 5.855 ( 5.046 2.913 -6.813) 8.965 5.915 ( 3.121 1.802 -4.725) 5.942 6.011 ( 4.986 2.879 -8.860) 10.567 6.015 ( 6.738 3.890 3.723) 8.625 6.082 ( 1.016 0.587 2.175) 2.471 6.220 ( -0.393 -0.227 -6.401) 6.417 6.245 ( 6.240 3.603 6.920) 9.991 6.272 ( 0.686 0.396 1.012) 1.286 6.304 ( 5.746 3.317 5.913) 8.887 6.408 ( -3.457 -1.996 5.029) 6.421 6.418 ( 12.958 7.481 7.340) 16.666 6.537 ( 5.547 3.203 -3.650) 7.372 6.864 ( -2.345 -1.354 -2.821) 3.910 6.868 ( 5.217 3.012 6.368) 8.766 6.904 ( 8.389 4.843 3.968) 10.468 6.929 ( 6.232 3.598 7.382) 10.309 6.975 ( 3.878 2.239 -5.513) 7.103 7.069 ( -4.785 -2.762 6.640) 8.638 7.123 ( -3.146 -1.817 -3.247) 4.873 7.134 ( -3.437 -1.984 10.768) 11.476 7.330 ( 10.178 5.877 -1.868) 11.901 7.412 ( 11.361 6.559 -2.719) 13.398 7.412 ( 4.279 2.471 -0.778) 5.002 7.557 ( 11.782 6.802 2.302) 13.797 7.614 ( 3.030 1.749 2.280) 4.176 7.680 ( 1.583 0.914 4.400) 4.764 7.721 ( 0.294 0.170 -9.620) 9.626 7.841 ( 3.383 1.953 -0.806) 3.989 7.888 ( 0.524 0.303 -9.997) 10.015 7.914 ( 5.966 3.444 9.071) 11.391 8.019 ( 0.951 0.549 -4.374) 4.510 8.063 ( -6.336 -3.658 6.906) 10.060 8.080 ( 0.752 0.434 3.074) 3.194 8.191 ( 3.672 2.120 -5.466) 6.917 8.202 ( -2.372 -1.370 -0.295) 2.755 8.240 ( 0.687 0.396 -0.238) 0.828 8.279 ( -2.717 -1.569 -5.852) 6.640 8.373 ( 3.184 1.838 -4.312) 5.667 8.384 ( 1.610 0.929 -2.852) 3.404 8.471 ( -0.961 -0.555 -3.058) 3.253 8.603 ( -5.878 -3.394 -4.236) 8.001 8.696 ( -6.968 -4.023 4.167) 9.061 8.703 ( -3.049 -1.760 -3.605) 5.039 8.962 ( 1.935 1.117 6.543) 6.914 8.999 ( 2.447 1.413 -4.381) 5.213 9.101 ( 1.957 1.130 -2.363) 3.269 9.165 ( 2.771 1.600 -0.049) 3.200 9.202 ( -0.266 -0.153 -0.457) 0.551 9.251 ( -1.760 -1.016 -0.888) 2.217 9.255 ( -1.133 -0.654 -2.043) 2.427 9.352 ( 0.804 0.464 -1.457) 1.727 9.478 ( -0.730 -0.421 -0.690) 1.089 9.480 ( -2.729 -1.575 1.548) 3.511 9.533 ( -8.097 -4.675 -2.518) 9.683 9.737 ( 1.444 0.833 1.362) 2.152 9.789 ( 0.930 0.537 -0.860) 1.376 9.834 ( 0.692 0.399 0.446) 0.915 9.843 ( 3.226 1.862 1.379) 3.972 9.931 ( -6.076 -3.508 1.804) 7.244 10.035 ( 4.748 2.741 7.977) 9.679 10.135 ( -0.198 -0.114 -6.144) 6.149 10.194 ( 0.728 0.420 6.502) 6.557 10.311 ( 6.766 3.906 -4.219) 8.879 10.319 ( 2.747 1.586 -0.954) 3.312 10.472 ( 3.372 1.947 0.380) 3.912 10.529 ( -3.595 -2.075 2.882) 5.053 10.555 ( -2.119 -1.224 -4.068) 4.747 10.716 ( -4.750 -2.743 -3.613) 6.568 10.736 ( 5.087 2.937 -0.364) 5.885 10.819 ( -4.378 -2.528 0.615) 5.093 10.906 ( -0.584 -0.337 -4.687) 4.736 10.919 ( 0.629 0.363 6.286) 6.328 11.196 ( 2.473 1.428 6.612) 7.203 11.205 ( 0.954 0.551 2.761) 2.973 11.502 ( 1.353 0.781 1.297) 2.031 11.510 ( 3.347 1.933 6.411) 7.486 11.522 ( 0.742 0.428 -0.775) 1.155 11.603 ( 6.799 3.925 10.115) 12.804 11.641 ( 4.103 2.369 -1.629) 5.010 11.674 ( 1.649 0.952 -0.583) 1.991 11.779 ( 5.421 3.130 -2.075) 6.595 11.790 ( 1.225 0.707 1.203) 1.857 11.867 ( -4.280 -2.471 3.729) 6.191 11.961 ( 2.529 1.460 -3.949) 4.911 12.038 ( 0.562 0.325 -13.470) 13.486 12.151 ( -2.359 -1.362 -2.998) 4.050 12.187 ( -5.661 -3.268 -2.441) 6.977 12.191 ( -4.557 -2.631 -1.064) 5.368 12.219 ( -6.128 -3.538 -4.068) 8.162 12.291 ( -0.183 -0.106 1.836) 1.848 12.348 ( 4.601 2.656 1.838) 5.621 12.405 ( -4.667 -2.695 -3.054) 6.194 12.531 ( -0.495 -0.286 2.160) 2.234 12.590 ( -2.307 -1.332 3.897) 4.721 12.667 ( -2.030 -1.172 0.981) 2.541 12.778 ( -2.850 -1.645 2.008) 3.855 12.809 ( -2.811 -1.623 2.618) 4.170 12.893 ( -9.351 -5.399 1.255) 10.870 12.915 ( -6.193 -3.575 1.890) 7.396 13.107 ( 0.949 0.548 2.339) 2.582 13.218 ( -1.448 -0.836 -0.014) 1.672 13.252 ( -7.473 -4.315 0.665) 8.655 13.278 ( -2.917 -1.684 -0.053) 3.369 13.446 ( -10.711 -6.184 -0.072) 12.369 13.487 ( -5.739 -3.313 3.956) 7.718 13.682 ( -17.377 -10.033 1.627) 20.131 13.763 ( -3.932 -2.270 -7.440) 8.716 13.855 ( -15.160 -8.753 -3.139) 17.784 13.923 ( -14.785 -8.536 2.569) 17.265 14.084 ( -5.211 -3.008 -12.159) 13.566 14.094 ( 8.423 4.863 -4.190) 10.590 14.480 ( 7.539 4.353 -6.489) 10.857 14.612 ( -4.093 -2.363 -2.992) 5.594 14.735 ( -8.238 -4.756 -5.955) 11.223 14.761 ( -2.085 -1.204 -1.601) 2.891 15.089 ( -8.309 -4.797 -0.821) 9.629 15.094 ( -13.877 -8.012 -6.943) 17.463 15.546 ( 6.896 3.982 16.774) 18.568 15.552 ( 4.618 2.666 15.559) 16.447 15.822 ( 1.908 1.101 15.929) 16.081 15.846 ( -0.779 -0.450 17.701) 17.723 16.198 ( 3.008 1.737 7.745) 8.488 16.494 ( 7.599 4.387 1.543) 8.909 16.574 ( 0.761 0.440 10.471) 10.507 16.682 ( 7.628 4.404 -4.796) 10.029 16.821 ( 7.832 4.522 -8.236) 12.232 17.086 ( -6.912 -3.991 -17.180) 18.944 17.283 ( 8.575 4.951 -7.052) 12.156 17.308 ( 10.314 5.955 -6.354) 13.498 17.478 ( -2.508 -1.448 -9.565) 9.994 17.517 ( -3.472 -2.005 -7.627) 8.616 18.052 ( 9.439 5.450 7.838) 13.425 18.817 ( 2.262 1.306 -15.729) 15.944 ======================= Grid point 63 (16/32) ======================= q-point: ( 0.14 0.14 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 14.038 14.392 21.384) 29.351 1.202 ( 23.175 21.004 6.250) 31.895 1.756 ( 12.033 36.493 12.700) 40.470 2.069 ( 5.075 -1.278 -16.041) 16.873 2.273 ( 3.714 6.750 -11.733) 14.037 2.632 ( -7.927 -6.858 2.626) 10.805 2.775 ( -1.495 -1.162 -0.709) 2.022 2.858 ( -0.529 -10.337 4.173) 11.161 2.970 ( 1.314 -1.772 2.739) 3.517 3.010 ( -3.969 -7.816 10.091) 13.367 3.182 ( -17.938 -2.929 -5.723) 19.055 3.298 ( 1.076 -5.061 -4.696) 6.987 3.427 ( -2.723 -3.873 0.012) 4.734 3.495 ( -0.835 -5.675 0.822) 5.794 3.563 ( -1.106 5.542 0.511) 5.674 3.617 ( -0.033 4.543 7.372) 8.660 3.660 ( 2.413 4.074 2.909) 5.558 3.830 ( -0.770 0.964 0.115) 1.239 3.874 ( 3.834 4.887 -2.266) 6.612 3.928 ( 1.794 3.448 3.188) 5.027 3.980 ( -2.293 4.693 -1.250) 5.370 4.049 ( 3.756 2.539 -2.352) 5.108 4.076 ( 3.709 2.101 0.222) 4.269 4.162 ( 2.501 -1.824 -3.999) 5.057 4.231 ( 1.587 2.037 -6.810) 7.284 4.244 ( 0.309 2.309 -2.658) 3.534 4.267 ( 3.063 4.847 -2.952) 6.449 4.338 ( 3.117 1.346 1.409) 3.676 4.436 ( -0.915 2.579 -0.610) 2.803 4.438 ( -0.013 3.027 0.633) 3.093 4.468 ( -2.077 4.008 -2.991) 5.415 4.573 ( 1.209 2.789 -0.030) 3.040 4.619 ( 4.060 2.654 -5.583) 7.396 4.741 ( 1.682 -0.247 1.004) 1.975 4.801 ( -0.283 -6.063 0.066) 6.070 4.820 ( 1.232 -5.832 4.387) 7.401 4.891 ( -5.100 -3.534 1.421) 6.366 4.968 ( -0.356 -7.252 4.075) 8.326 5.116 ( 1.903 -1.295 5.198) 5.685 5.160 ( 0.999 -2.893 7.312) 7.927 5.231 ( -1.621 -3.958 3.320) 5.414 5.301 ( 0.059 1.956 2.119) 2.884 5.321 ( -0.898 0.689 -2.261) 2.529 5.418 ( 1.041 2.417 3.360) 4.268 5.461 ( -2.181 0.649 5.863) 6.289 5.626 ( -0.308 -1.067 -3.752) 3.913 5.707 ( -4.355 -3.075 -3.195) 6.215 5.750 ( 3.382 5.699 -6.254) 9.112 5.785 ( -7.915 -5.449 -4.992) 10.829 5.949 ( -1.981 -4.178 6.121) 7.671 5.991 ( 0.504 -5.255 -5.790) 7.836 6.039 ( -4.607 -9.842 0.786) 10.895 6.090 ( -4.983 -4.017 -2.176) 6.760 6.165 ( -2.693 -0.833 -1.148) 3.044 6.248 ( 1.266 -1.058 3.794) 4.137 6.278 ( -0.493 -5.583 -2.378) 6.089 6.338 ( -1.413 -6.089 -2.746) 6.827 6.420 ( 2.852 1.700 4.308) 5.439 6.539 ( 2.911 -0.727 2.757) 4.075 6.693 ( -9.553 -4.790 -0.561) 10.701 6.755 ( -2.344 -6.863 3.943) 8.255 6.799 ( -4.748 -2.558 4.120) 6.787 6.892 ( -2.030 -7.373 -0.783) 7.687 6.938 ( -0.559 -1.885 6.425) 6.719 7.021 ( -5.732 -3.659 -1.548) 6.975 7.096 ( -5.359 -0.355 5.358) 7.587 7.202 ( -0.880 -8.491 -1.771) 8.718 7.243 ( 2.769 -2.392 5.478) 6.588 7.305 ( -4.505 -1.874 2.951) 5.702 7.367 ( -0.445 -8.190 4.606) 9.407 7.412 ( 2.316 -8.807 -0.388) 9.115 7.563 ( -4.282 0.988 -0.244) 4.401 7.666 ( -4.173 -5.514 2.838) 7.475 7.671 ( -3.921 -6.988 -2.340) 8.348 7.733 ( -3.784 -2.570 -2.594) 5.258 7.861 ( 1.909 -4.583 1.069) 5.078 7.865 ( -1.564 2.117 -6.275) 6.805 7.901 ( -4.848 -5.209 -8.257) 10.900 8.071 ( -0.846 -1.136 -0.819) 1.636 8.107 ( 0.452 -1.288 2.473) 2.825 8.122 ( -6.193 0.192 3.951) 7.349 8.164 ( -1.467 0.874 -6.309) 6.536 8.256 ( 1.161 -0.753 -4.187) 4.410 8.276 ( -0.391 3.280 2.980) 4.448 8.437 ( 9.036 -1.798 2.741) 9.613 8.449 ( 0.804 -2.778 -0.413) 2.921 8.554 ( 4.969 4.879 -2.313) 7.337 8.637 ( -1.682 2.161 -3.094) 4.132 8.737 ( 1.864 1.459 2.611) 3.524 8.765 ( 0.870 5.989 2.668) 6.614 8.883 ( -5.640 -3.449 4.528) 8.013 8.951 ( -3.513 0.105 -2.569) 4.354 9.088 ( -2.891 -5.364 -1.928) 6.392 9.122 ( 3.441 -1.191 -2.731) 4.551 9.214 ( 2.013 1.419 -1.583) 2.928 9.274 ( 0.951 -0.737 3.323) 3.534 9.297 ( 1.780 3.002 0.081) 3.491 9.358 ( -0.589 3.632 -3.200) 4.876 9.413 ( -2.099 0.741 -1.354) 2.606 9.520 ( -0.654 6.644 -0.585) 6.702 9.637 ( -4.907 -6.719 2.470) 8.679 9.712 ( 2.346 2.998 -1.255) 4.008 9.737 ( -3.736 -3.221 5.822) 7.631 9.752 ( -0.308 -2.581 1.204) 2.865 9.901 ( 4.951 2.463 -5.637) 7.896 9.977 ( -2.700 -4.043 -2.726) 5.574 10.045 ( 5.013 -0.553 -0.498) 5.068 10.134 ( 6.273 8.343 1.452) 10.538 10.192 ( 0.359 -4.625 -3.186) 5.628 10.300 ( -0.516 -1.370 0.692) 1.619 10.379 ( 1.732 0.157 1.296) 2.169 10.405 ( 0.686 1.270 -0.009) 1.443 10.453 ( -5.133 1.825 1.197) 5.578 10.577 ( -2.559 -0.900 -0.148) 2.716 10.676 ( 0.756 -3.449 -2.786) 4.498 10.833 ( 3.883 3.479 -2.833) 5.934 10.850 ( -1.532 0.561 -2.855) 3.288 10.906 ( 1.846 3.882 -0.224) 4.305 10.931 ( 0.947 -3.966 7.006) 8.106 11.158 ( -3.864 1.061 3.268) 5.170 11.179 ( -0.439 0.517 5.777) 5.816 11.365 ( -6.565 -5.977 7.973) 11.933 11.463 ( -7.757 1.268 -1.881) 8.081 11.496 ( -0.772 -3.559 -0.287) 3.654 11.600 ( 0.312 -3.702 -1.517) 4.013 11.612 ( 6.208 -4.251 6.943) 10.238 11.637 ( -0.728 -4.926 -0.144) 4.982 11.681 ( -0.121 -0.653 -0.263) 0.714 11.814 ( -3.712 -3.432 -1.243) 5.206 11.922 ( -0.882 -0.795 -2.833) 3.071 11.961 ( 3.288 2.130 -5.801) 7.000 12.013 ( 3.934 2.526 -3.026) 5.569 12.145 ( -1.030 -0.823 -0.905) 1.599 12.219 ( 1.788 0.464 -3.021) 3.541 12.231 ( -1.735 3.763 -5.126) 6.591 12.303 ( 2.783 -0.930 0.569) 2.989 12.347 ( 3.471 7.434 -1.583) 8.355 12.408 ( 4.756 3.120 3.482) 6.670 12.453 ( 0.874 3.621 -2.538) 4.508 12.555 ( -0.167 -0.331 2.107) 2.140 12.616 ( 0.194 2.226 2.052) 3.033 12.686 ( 0.686 3.657 -0.792) 3.804 12.792 ( -0.018 -0.214 1.979) 1.990 12.855 ( 1.818 2.661 3.149) 4.506 12.967 ( 2.160 5.879 -1.418) 6.422 13.076 ( 3.784 14.499 0.882) 15.011 13.164 ( -0.982 -0.134 -0.189) 1.009 13.181 ( 4.285 7.352 1.594) 8.657 13.371 ( 1.135 10.680 0.280) 10.744 13.409 ( -0.891 7.390 -0.928) 7.501 13.576 ( 9.426 0.289 0.459) 9.442 13.668 ( 7.460 7.964 2.364) 11.166 13.766 ( 2.763 4.470 2.468) 5.806 13.902 ( 6.011 14.282 -1.686) 15.586 14.025 ( 3.322 9.528 -2.011) 10.289 14.102 ( 7.051 16.144 2.908) 17.855 14.173 ( 2.893 7.493 -9.704) 12.597 14.323 ( 16.948 8.751 2.909) 19.294 14.426 ( -0.717 1.311 -3.172) 3.506 14.626 ( 2.285 8.290 -4.408) 9.663 14.753 ( -1.672 5.081 -2.249) 5.802 14.993 ( 11.628 4.001 4.231) 13.004 15.239 ( -2.567 7.762 -5.229) 9.704 15.254 ( 2.429 4.055 1.787) 5.053 15.331 ( 1.058 8.718 0.922) 8.830 15.637 ( 4.798 -4.644 13.868) 15.391 15.746 ( -4.275 -3.235 15.179) 16.098 15.838 ( 2.167 -7.366 13.872) 15.855 16.113 ( -6.806 -0.641 9.312) 11.552 16.359 ( -3.978 -15.688 -8.401) 18.234 16.518 ( -4.646 -7.373 6.234) 10.715 16.617 ( -1.680 -2.975 3.524) 4.909 16.681 ( -2.991 -3.483 -0.507) 4.619 16.972 ( -13.512 -2.939 -13.468) 19.302 17.104 ( -8.089 -12.801 -5.414) 16.081 17.163 ( -2.193 -16.274 -5.608) 17.352 17.556 ( 1.502 3.541 -9.779) 10.508 17.638 ( 8.726 6.887 -10.956) 15.608 17.863 ( -7.833 -14.061 6.617) 17.403 18.722 ( -5.750 -7.531 -18.235) 20.550 ======================= Grid point 64 (17/32) ======================= q-point: ( 0.29 0.14 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 20.607 12.262 19.222) 30.733 1.788 ( 23.539 19.789 3.253) 30.924 2.024 ( -4.687 -0.324 6.639) 8.133 2.209 ( 4.416 3.602 -9.340) 10.941 2.406 ( -1.985 7.321 -2.192) 7.896 2.545 ( -3.556 -1.021 4.193) 5.592 2.644 ( -13.089 -7.881 3.004) 15.571 2.735 ( 6.156 9.012 4.303) 11.731 2.849 ( -8.443 -5.910 -3.275) 10.814 2.957 ( 1.709 1.255 4.958) 5.392 3.005 ( -0.212 -0.398 1.774) 1.830 3.259 ( 4.472 -16.048 1.229) 16.705 3.340 ( -3.407 -7.669 -3.328) 9.027 3.427 ( -0.670 8.843 -6.198) 10.820 3.580 ( -2.286 5.087 6.833) 8.820 3.675 ( -2.654 7.756 1.623) 8.356 3.787 ( 6.927 2.515 -0.445) 7.382 3.834 ( 1.713 -1.469 -2.226) 3.170 3.910 ( 0.089 0.950 -0.588) 1.121 4.000 ( 2.114 7.853 -1.610) 8.290 4.045 ( 0.356 5.823 -2.569) 6.375 4.081 ( -1.617 1.994 -1.790) 3.130 4.139 ( 2.202 -0.901 0.168) 2.385 4.151 ( -8.133 -5.643 -2.937) 10.326 4.232 ( 1.317 -4.562 -4.253) 6.375 4.319 ( 3.414 -3.965 -5.990) 7.953 4.346 ( 1.092 1.687 -2.903) 3.531 4.380 ( 6.524 4.390 -0.549) 7.882 4.434 ( 3.427 5.600 2.343) 6.971 4.491 ( 2.157 6.715 -0.098) 7.054 4.515 ( 0.657 2.439 -0.075) 2.527 4.621 ( -2.063 -7.895 1.017) 8.223 4.642 ( 1.699 -0.999 2.196) 2.951 4.718 ( 1.595 0.986 2.159) 2.860 4.721 ( -2.475 -4.019 6.322) 7.889 4.786 ( -3.148 -3.140 -0.440) 4.468 4.866 ( 0.901 -1.521 2.602) 3.146 4.999 ( 7.404 3.258 6.231) 10.210 5.054 ( -3.840 -5.007 10.745) 12.461 5.136 ( 0.295 -2.924 0.785) 3.042 5.182 ( -0.888 -1.279 1.793) 2.375 5.257 ( -5.610 -3.804 -2.289) 7.154 5.293 ( -3.994 1.908 3.622) 5.720 5.377 ( -3.784 -4.662 -0.953) 6.080 5.501 ( 0.211 1.166 6.468) 6.576 5.547 ( -4.293 -1.745 -4.030) 6.141 5.602 ( 1.387 -0.507 -9.969) 10.078 5.683 ( -3.140 -5.651 2.575) 6.959 5.759 ( -5.678 -3.050 -2.047) 6.763 5.931 ( -1.052 -4.384 -8.366) 9.504 5.951 ( 5.908 2.377 -0.346) 6.377 5.979 ( 3.984 2.939 -0.889) 5.030 5.999 ( -3.157 -1.862 -3.467) 5.045 6.108 ( -2.376 -3.644 -3.618) 5.658 6.137 ( -4.920 -4.470 -3.394) 7.464 6.255 ( -2.149 -3.665 -3.677) 5.619 6.329 ( 3.686 0.602 5.368) 6.540 6.450 ( -4.706 -1.829 5.508) 7.471 6.523 ( -1.349 -4.476 2.096) 5.123 6.572 ( 0.025 -0.134 -6.558) 6.559 6.713 ( -1.524 -2.515 1.384) 3.250 6.756 ( -0.292 -5.228 2.743) 5.911 6.763 ( 0.888 -0.144 3.752) 3.858 6.917 ( -6.721 -1.673 0.805) 6.973 6.950 ( 2.505 2.517 -0.518) 3.589 6.975 ( -3.389 -0.462 4.783) 5.880 7.125 ( -2.575 -0.365 -4.133) 4.883 7.141 ( -7.565 2.098 7.078) 10.570 7.225 ( -7.756 -0.388 3.278) 8.430 7.298 ( 0.475 -5.121 5.561) 7.575 7.389 ( -0.265 -4.598 -3.961) 6.074 7.487 ( -5.807 -10.586 -6.222) 13.583 7.497 ( -4.393 2.901 5.655) 7.726 7.586 ( 1.654 -1.711 1.840) 3.008 7.691 ( -1.637 -4.464 -1.430) 4.965 7.729 ( -4.360 -5.698 -7.976) 10.728 7.887 ( 1.175 -3.729 0.746) 3.980 7.896 ( 0.746 -4.134 -7.442) 8.546 7.964 ( -1.955 0.768 0.928) 2.296 8.002 ( 1.261 -7.564 -1.818) 7.881 8.156 ( -0.936 2.832 5.814) 6.535 8.187 ( -2.753 -0.187 3.637) 4.566 8.291 ( 4.693 -2.521 0.309) 5.336 8.317 ( 1.420 5.353 1.256) 5.678 8.403 ( -3.901 -0.591 -2.295) 4.564 8.487 ( 1.747 -4.173 5.698) 7.275 8.622 ( 2.208 -3.474 -1.072) 4.254 8.668 ( 2.595 6.311 0.341) 6.832 8.734 ( -4.421 -1.167 3.081) 5.513 8.782 ( 1.109 0.062 6.345) 6.441 8.848 ( 0.981 3.713 0.266) 3.849 8.913 ( -2.237 1.885 0.568) 2.980 9.023 ( -0.445 -2.617 -2.587) 3.706 9.165 ( 1.691 0.879 -6.933) 7.190 9.247 ( -0.321 -0.854 2.696) 2.846 9.297 ( 0.904 0.918 3.227) 3.474 9.329 ( 1.693 1.034 -0.770) 2.128 9.396 ( -0.298 0.346 -1.656) 1.718 9.429 ( 2.654 2.350 -2.812) 4.525 9.528 ( -1.275 -4.102 2.860) 5.160 9.595 ( 0.802 7.331 0.055) 7.375 9.640 ( -2.314 -1.937 -3.444) 4.579 9.693 ( -1.060 -0.871 2.723) 3.049 9.761 ( -3.546 4.058 -3.932) 6.671 9.931 ( 0.362 -1.307 0.671) 1.513 9.957 ( 3.465 -6.174 -2.019) 7.362 10.071 ( 0.679 -2.692 2.554) 3.772 10.133 ( -1.878 -6.028 2.537) 6.805 10.239 ( -3.330 0.891 2.102) 4.037 10.294 ( -0.496 1.338 2.072) 2.516 10.395 ( 4.424 5.476 -4.982) 8.624 10.446 ( -2.304 5.035 0.472) 5.558 10.521 ( 4.470 1.717 -2.905) 5.601 10.565 ( 2.844 3.466 -2.725) 5.247 10.675 ( 2.549 -3.818 -5.914) 7.487 10.805 ( -1.306 -0.596 -0.424) 1.497 10.889 ( -1.106 -3.948 8.084) 9.065 10.900 ( 0.383 2.128 -4.507) 4.999 10.958 ( 0.837 2.274 0.781) 2.546 11.146 ( -2.399 5.717 4.686) 7.772 11.173 ( -0.100 -1.687 5.859) 6.098 11.238 ( -4.092 0.677 0.985) 4.263 11.370 ( -3.937 2.041 -2.731) 5.208 11.439 ( -0.804 -4.172 1.365) 4.463 11.527 ( -3.205 -4.963 -4.090) 7.185 11.586 ( -0.596 0.814 -0.637) 1.193 11.658 ( -0.400 1.584 2.225) 2.760 11.715 ( -0.372 -0.703 2.775) 2.887 11.775 ( 5.466 -4.968 2.430) 7.776 11.862 ( 0.810 -7.127 -3.443) 7.956 11.994 ( 0.599 -2.550 -2.836) 3.861 12.120 ( 1.668 -5.138 0.362) 5.414 12.137 ( 0.340 1.457 -9.224) 9.345 12.234 ( 4.473 2.916 -0.967) 5.427 12.257 ( 1.486 1.764 -5.055) 5.556 12.369 ( 3.660 -0.171 -0.577) 3.709 12.403 ( -3.856 3.566 -0.637) 5.291 12.470 ( 2.963 -0.318 0.747) 3.072 12.523 ( 1.455 -0.219 -1.102) 1.838 12.542 ( 2.235 3.919 1.393) 4.722 12.634 ( -2.113 2.227 0.790) 3.169 12.725 ( -1.618 3.232 1.347) 3.857 12.785 ( 2.341 -3.721 1.538) 4.657 12.909 ( 1.689 1.102 4.190) 4.650 12.948 ( -2.571 -7.385 -9.456) 12.271 13.250 ( 2.725 12.829 -4.642) 13.913 13.278 ( 1.573 14.055 5.576) 15.202 13.360 ( 5.092 11.593 -0.225) 12.664 13.431 ( -3.383 8.911 0.110) 9.532 13.478 ( 2.263 10.041 2.223) 10.530 13.673 ( 3.667 0.484 4.238) 5.625 13.871 ( 9.540 2.909 1.027) 10.026 13.942 ( 7.291 2.419 1.381) 7.805 14.112 ( 2.922 5.421 -2.098) 6.506 14.191 ( 9.771 -3.229 -1.297) 10.372 14.240 ( 3.589 9.691 0.372) 10.341 14.358 ( 2.824 6.676 10.926) 13.113 14.451 ( -0.444 7.166 -1.450) 7.324 14.589 ( 6.066 14.485 5.374) 16.598 14.822 ( 2.314 3.502 -0.306) 4.208 14.906 ( -2.658 -0.291 7.948) 8.385 14.982 ( 16.787 12.969 -5.921) 22.024 15.270 ( 0.021 1.121 4.872) 4.999 15.377 ( 5.590 -5.355 0.625) 7.766 15.491 ( -8.655 -7.052 10.217) 15.133 15.641 ( 11.591 12.593 -2.192) 17.255 15.779 ( 6.462 6.242 1.389) 9.092 15.845 ( 4.410 3.327 7.445) 9.271 15.962 ( -11.040 -6.920 4.014) 13.634 16.104 ( -5.132 -12.988 -3.608) 14.424 16.288 ( -7.527 -11.431 -2.910) 13.992 16.545 ( -8.773 1.960 2.432) 9.312 16.654 ( -11.131 -8.448 -5.117) 14.881 16.775 ( 6.340 4.775 8.098) 11.339 16.817 ( -11.214 -11.262 -3.031) 16.179 16.943 ( -3.379 -17.502 -5.258) 18.585 17.543 ( -10.922 -11.561 3.851) 16.364 17.613 ( -0.694 1.362 -9.566) 9.687 17.860 ( 8.613 7.069 -11.594) 16.080 18.515 ( -7.891 -9.976 -17.973) 22.019 ======================= Grid point 65 (18/32) ======================= q-point: ( 0.43 0.14 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -15.678 -4.764 13.963) 21.528 1.986 ( 17.190 6.177 17.371) 25.207 2.151 ( -19.641 -0.598 -2.257) 19.779 2.265 ( -1.920 0.928 -0.990) 2.351 2.298 ( -5.087 0.620 2.335) 5.631 2.410 ( 9.998 15.748 5.033) 19.320 2.502 ( 2.770 0.219 0.108) 2.781 2.683 ( -2.196 -4.946 -2.960) 6.168 2.907 ( -3.689 -1.966 -1.303) 4.379 2.994 ( 7.900 -4.349 0.504) 9.032 3.143 ( 4.640 -5.864 -3.451) 8.236 3.263 ( 1.993 -7.502 -5.783) 9.679 3.344 ( 8.016 11.749 2.582) 14.455 3.547 ( 3.024 8.332 0.629) 8.886 3.556 ( -8.431 0.675 7.554) 11.340 3.621 ( -7.011 -0.079 3.557) 7.861 3.780 ( -5.994 5.045 -0.438) 7.846 3.860 ( 2.406 0.515 -1.577) 2.923 3.901 ( 1.793 3.314 0.828) 3.858 4.020 ( -2.643 -4.114 -4.962) 6.967 4.062 ( 1.897 5.653 -1.001) 6.047 4.069 ( -1.347 -0.727 -6.907) 7.074 4.097 ( 2.605 -7.337 -3.625) 8.588 4.192 ( -0.194 0.124 -4.056) 4.062 4.194 ( 2.872 3.164 -2.607) 5.005 4.323 ( -3.124 -0.099 -2.578) 4.052 4.356 ( 2.301 -5.466 -4.775) 7.614 4.440 ( -3.101 -2.402 1.340) 4.145 4.489 ( 1.869 -0.654 2.769) 3.404 4.512 ( 3.279 -4.076 2.462) 5.781 4.545 ( -3.944 1.088 1.500) 4.357 4.602 ( 0.042 1.339 5.956) 6.104 4.660 ( -0.746 -1.633 0.530) 1.872 4.697 ( -2.074 -0.232 1.462) 2.548 4.740 ( 13.153 1.554 3.467) 13.691 4.775 ( -0.128 -0.081 3.830) 3.833 4.869 ( 0.062 0.179 2.108) 2.116 4.915 ( -6.003 -3.339 3.959) 7.929 5.078 ( 0.873 -0.810 7.336) 7.432 5.107 ( -1.512 0.992 -0.649) 1.921 5.145 ( -2.794 0.229 6.368) 6.958 5.200 ( -1.339 -4.890 1.804) 5.382 5.277 ( -3.999 -0.824 -0.622) 4.130 5.319 ( 8.094 5.922 1.063) 10.085 5.408 ( -4.332 -2.063 2.532) 5.425 5.564 ( 2.697 3.799 -7.673) 8.977 5.605 ( -0.502 0.507 -3.810) 3.876 5.625 ( -3.217 -2.621 0.723) 4.212 5.754 ( 8.001 2.812 -5.870) 10.314 5.874 ( -0.377 -6.582 -0.589) 6.619 5.918 ( 1.124 -4.767 -5.998) 7.743 6.013 ( -3.309 -1.714 -6.706) 7.672 6.035 ( 0.369 0.999 -0.966) 1.438 6.112 ( 3.742 -3.028 -0.247) 4.820 6.149 ( 2.901 3.465 -7.886) 9.089 6.208 ( -1.918 -1.750 0.092) 2.598 6.292 ( -2.455 0.998 6.737) 7.240 6.405 ( 3.748 -1.667 1.676) 4.431 6.480 ( -2.395 -1.298 0.356) 2.748 6.578 ( -0.109 2.530 -2.809) 3.782 6.622 ( 1.086 -6.800 -0.051) 6.886 6.731 ( -2.774 -1.126 2.756) 4.070 6.796 ( -2.441 4.779 8.188) 9.790 6.873 ( 1.828 6.155 3.152) 7.153 6.963 ( 3.532 -3.596 -5.788) 7.675 6.972 ( -5.992 3.936 4.425) 8.425 7.039 ( -5.288 4.626 -1.039) 7.103 7.149 ( 3.466 2.751 6.531) 7.889 7.215 ( -0.280 0.177 0.160) 0.369 7.315 ( 6.657 1.674 -5.728) 8.940 7.368 ( 1.837 -5.626 -8.644) 10.476 7.428 ( 4.961 3.271 0.454) 5.960 7.458 ( -1.743 -1.003 3.491) 4.029 7.501 ( -2.940 -1.104 -1.932) 3.688 7.592 ( -3.840 -3.978 2.293) 5.986 7.734 ( 1.868 1.091 -0.825) 2.315 7.784 ( -1.894 -1.202 -3.141) 3.860 7.896 ( 5.314 -9.572 -0.884) 10.984 7.973 ( 0.979 -2.319 0.586) 2.585 8.008 ( 1.552 -2.852 2.589) 4.152 8.144 ( 0.956 -3.038 -0.101) 3.187 8.167 ( 2.983 -0.521 5.287) 6.093 8.284 ( -1.525 -2.287 -1.492) 3.128 8.340 ( -2.038 -0.966 -2.137) 3.107 8.411 ( 2.967 3.877 2.736) 5.596 8.492 ( -0.237 0.359 5.950) 5.965 8.613 ( 2.737 -5.358 0.189) 6.020 8.687 ( -1.830 2.292 1.467) 3.280 8.772 ( 3.007 1.170 0.394) 3.251 8.784 ( 0.707 -2.041 8.019) 8.304 8.863 ( -2.938 3.794 1.417) 5.004 8.910 ( -0.566 1.954 2.395) 3.142 9.006 ( -0.543 -0.064 -2.108) 2.178 9.174 ( -2.147 0.505 -3.874) 4.458 9.224 ( -1.294 0.633 1.937) 2.414 9.291 ( -2.457 2.039 3.114) 4.460 9.366 ( 1.167 -3.377 -1.168) 3.759 9.383 ( 2.753 0.095 -0.392) 2.782 9.478 ( -0.599 0.890 -3.728) 3.879 9.510 ( 1.700 -1.736 1.045) 2.645 9.592 ( -0.002 -0.037 -1.587) 1.587 9.659 ( -0.761 1.827 -1.228) 2.329 9.718 ( 1.209 1.894 -0.543) 2.312 9.736 ( -3.148 5.182 -1.840) 6.336 9.909 ( -1.802 -3.014 5.585) 6.598 9.942 ( 1.323 -2.965 -0.739) 3.330 10.006 ( -2.046 0.516 0.653) 2.209 10.112 ( 3.402 -4.948 0.262) 6.011 10.217 ( 0.185 1.548 1.879) 2.442 10.326 ( 1.610 0.392 2.179) 2.737 10.449 ( -3.664 6.725 0.227) 7.661 10.472 ( 2.128 0.821 -3.847) 4.473 10.531 ( -3.514 0.931 -4.932) 6.127 10.596 ( -3.069 -0.305 -6.240) 6.961 10.652 ( -0.161 -4.795 -7.682) 9.058 10.829 ( -1.221 -2.062 6.079) 6.534 10.854 ( 4.720 -0.710 3.940) 6.189 10.914 ( -2.075 3.418 0.134) 4.001 11.015 ( 1.184 1.329 -1.878) 2.587 11.100 ( 2.461 -1.220 1.494) 3.127 11.214 ( -1.169 0.567 3.490) 3.724 11.257 ( 3.798 5.586 1.498) 6.919 11.336 ( -1.096 -0.592 -2.221) 2.547 11.437 ( 0.518 1.010 1.087) 1.572 11.484 ( 0.604 3.425 -2.045) 4.034 11.595 ( -1.375 2.621 0.741) 3.051 11.656 ( -1.590 -0.860 0.755) 1.959 11.673 ( -0.922 -0.804 0.081) 1.226 11.720 ( -4.988 -6.263 2.125) 8.284 11.847 ( 5.994 -8.363 -1.210) 10.360 11.988 ( 2.112 -3.179 -1.209) 4.003 12.085 ( 2.716 -6.635 -0.949) 7.232 12.117 ( -3.652 2.300 -9.263) 10.220 12.286 ( 0.475 1.315 -4.664) 4.869 12.335 ( 0.863 -2.769 -5.570) 6.280 12.362 ( -1.890 0.258 -0.538) 1.982 12.406 ( 4.721 -2.205 0.251) 5.217 12.505 ( 2.866 -1.883 0.153) 3.433 12.559 ( -3.454 3.958 1.581) 5.486 12.608 ( -1.369 1.162 -1.883) 2.602 12.624 ( 2.270 4.389 -0.640) 4.982 12.670 ( -3.866 1.458 0.415) 4.152 12.757 ( 1.075 -5.648 1.308) 5.896 12.903 ( 4.146 -3.320 1.026) 5.410 12.954 ( 2.392 -2.417 -0.442) 3.429 13.349 ( -5.474 13.290 -4.287) 14.998 13.374 ( -8.092 7.713 0.818) 11.209 13.410 ( -3.661 12.205 5.554) 13.900 13.542 ( 2.111 11.180 -3.380) 11.869 13.612 ( 0.716 0.233 4.368) 4.432 13.693 ( -3.698 -0.338 7.625) 8.481 13.919 ( -2.983 -6.217 0.889) 6.953 13.996 ( 1.857 -1.903 -4.347) 5.096 14.109 ( -5.375 -0.159 -5.838) 7.937 14.183 ( -1.819 -1.635 -2.507) 3.503 14.394 ( -2.635 4.747 11.674) 12.875 14.424 ( 2.677 -0.688 9.530) 9.922 14.502 ( 0.155 6.968 1.778) 7.193 14.738 ( 1.071 8.208 8.724) 12.026 14.905 ( 6.641 -2.832 7.706) 10.560 14.983 ( -0.319 1.219 3.880) 4.080 15.133 ( -4.934 -5.768 4.341) 8.744 15.272 ( -10.283 2.820 0.082) 10.663 15.362 ( 3.833 8.526 -0.846) 9.386 15.403 ( 10.060 -6.796 7.790) 14.425 15.615 ( -13.141 -8.439 -6.008) 16.733 15.851 ( 1.372 5.953 -3.797) 7.193 15.895 ( -1.891 0.195 -0.151) 1.907 16.023 ( 7.962 1.030 1.755) 8.218 16.055 ( 6.294 -2.390 0.641) 6.763 16.193 ( -18.556 -7.248 -5.511) 20.669 16.326 ( 16.041 6.790 -2.807) 17.644 16.559 ( 1.146 -1.037 2.086) 2.596 16.620 ( -3.254 -0.623 1.022) 3.468 16.793 ( 5.334 -13.035 -5.173) 15.004 16.951 ( 1.522 2.288 10.071) 10.439 17.315 ( 2.319 -5.996 5.420) 8.409 17.626 ( -2.126 3.779 -11.979) 12.740 17.980 ( -3.944 2.551 -13.727) 14.509 18.378 ( 4.879 -5.440 -16.423) 17.976 ======================= Grid point 67 (19/32) ======================= q-point: (-0.43 0.14 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -20.199 -0.498 17.796) 26.925 1.666 ( -31.007 0.983 -0.848) 31.035 2.078 ( -5.966 -2.380 -1.958) 6.715 2.198 ( -2.477 -0.456 1.969) 3.197 2.438 ( -3.236 2.274 4.928) 6.319 2.547 ( 10.945 3.488 3.399) 11.980 2.639 ( 0.853 -2.755 -0.662) 2.959 2.803 ( -4.403 -1.391 -2.277) 5.148 2.881 ( 11.654 14.491 3.218) 18.872 2.956 ( -9.809 -5.228 5.300) 12.314 3.051 ( 3.495 -3.736 0.587) 5.150 3.163 ( 5.924 -10.792 -4.222) 13.015 3.344 ( 10.594 -1.578 1.377) 10.799 3.515 ( -4.460 -0.082 0.627) 4.505 3.622 ( -2.318 5.153 2.054) 6.012 3.709 ( -0.623 -1.471 6.210) 6.413 3.814 ( -5.636 -5.551 0.914) 7.964 3.842 ( 0.634 -4.511 -5.571) 7.196 3.896 ( 0.929 1.462 -0.063) 1.734 3.999 ( -3.874 1.461 -3.683) 5.542 4.041 ( 1.115 9.476 -2.593) 9.888 4.093 ( -4.489 2.236 0.047) 5.015 4.111 ( -5.590 -0.088 -4.407) 7.119 4.131 ( 2.514 -0.677 -4.262) 4.995 4.226 ( 1.629 -0.039 -2.926) 3.349 4.253 ( -2.226 -0.284 -0.966) 2.443 4.314 ( 0.306 -4.138 -4.899) 6.420 4.429 ( -5.812 0.458 0.578) 5.858 4.447 ( 0.351 -5.400 -0.542) 5.439 4.509 ( -2.404 -1.457 0.141) 2.815 4.576 ( 2.621 -1.798 4.644) 5.627 4.605 ( 1.351 -0.561 -0.124) 1.468 4.616 ( -0.526 0.163 2.876) 2.928 4.698 ( -1.582 2.905 -3.548) 4.851 4.717 ( -0.001 0.545 5.554) 5.581 4.802 ( 1.479 -0.510 0.822) 1.767 4.811 ( -2.581 0.544 4.409) 5.138 4.951 ( -4.840 -0.566 6.702) 8.286 5.089 ( 5.890 -0.927 6.690) 8.962 5.094 ( 2.865 1.953 2.449) 4.245 5.184 ( -0.271 1.436 1.245) 1.920 5.236 ( 3.447 2.664 -2.377) 4.963 5.305 ( 8.417 6.395 -3.243) 11.057 5.345 ( 0.995 -0.471 3.582) 3.748 5.508 ( 0.146 0.587 9.525) 9.544 5.576 ( 1.877 0.674 -3.111) 3.696 5.600 ( 6.244 1.929 -5.910) 8.812 5.726 ( 0.829 -6.662 -2.401) 7.129 5.785 ( 12.584 -0.040 -1.573) 12.683 5.893 ( -5.027 -1.366 -5.149) 7.325 5.936 ( 0.917 -1.007 -7.625) 7.745 6.009 ( -5.387 -2.044 1.515) 5.958 6.029 ( 11.864 2.587 -2.383) 12.374 6.075 ( 2.499 -1.088 -2.066) 3.420 6.162 ( 0.538 0.388 -0.870) 1.094 6.230 ( 3.468 2.834 -6.843) 8.178 6.283 ( -3.903 1.156 3.814) 5.578 6.424 ( -4.726 6.104 -2.169) 8.018 6.508 ( 7.822 -0.747 2.690) 8.305 6.614 ( 3.712 -3.531 -0.991) 5.218 6.684 ( 4.019 2.564 8.482) 9.730 6.700 ( 3.252 0.909 3.007) 4.522 6.825 ( 4.007 -4.719 -0.028) 6.190 6.900 ( -3.634 2.497 0.867) 4.493 6.932 ( 1.449 4.825 2.596) 5.667 7.044 ( 7.877 -1.089 3.917) 8.864 7.128 ( 8.738 6.330 -3.128) 11.234 7.196 ( -3.907 -2.355 -1.434) 4.782 7.233 ( 3.980 2.445 8.428) 9.636 7.290 ( 0.061 -3.397 -3.779) 5.082 7.362 ( -3.564 -1.614 3.918) 5.537 7.495 ( 8.001 1.424 5.626) 9.884 7.530 ( 7.107 -0.145 -3.525) 7.935 7.588 ( 3.543 4.290 -2.152) 5.965 7.644 ( 7.384 4.030 -2.325) 8.728 7.763 ( 2.096 -0.687 -1.156) 2.490 7.818 ( 5.413 -1.147 -2.971) 6.281 7.923 ( 4.262 -5.673 -1.173) 7.192 7.959 ( 0.610 0.108 -0.653) 0.900 8.013 ( 6.870 -2.609 -0.362) 7.358 8.152 ( -1.508 3.027 3.795) 5.084 8.225 ( -2.708 0.353 -5.801) 6.412 8.255 ( 5.959 -1.447 1.736) 6.373 8.296 ( -3.871 2.374 -0.310) 4.551 8.424 ( -4.806 -1.086 2.232) 5.410 8.460 ( -0.032 -1.859 1.487) 2.380 8.627 ( 2.159 -2.890 0.101) 3.608 8.698 ( -6.378 0.683 1.031) 6.497 8.727 ( 1.757 1.357 4.379) 4.910 8.812 ( 2.788 -2.870 2.894) 4.938 8.854 ( -0.872 -0.948 5.914) 6.052 8.936 ( 2.020 0.663 -1.189) 2.436 9.009 ( 1.065 1.508 -1.740) 2.537 9.129 ( -3.736 2.791 -1.422) 4.875 9.224 ( -0.655 1.407 -0.754) 1.725 9.268 ( -1.046 0.459 2.277) 2.548 9.353 ( -0.527 -2.308 -1.041) 2.587 9.422 ( -0.055 -1.883 -1.642) 2.499 9.439 ( -1.326 -1.939 -2.823) 3.673 9.526 ( 3.050 0.078 3.516) 4.655 9.611 ( -2.367 2.792 -4.053) 5.461 9.666 ( 1.714 0.806 2.843) 3.416 9.708 ( 1.558 -3.818 3.120) 5.171 9.763 ( -0.397 3.306 -3.875) 5.109 9.889 ( 0.336 1.798 -0.413) 1.875 9.937 ( 0.640 -1.500 0.711) 1.779 10.009 ( -0.368 3.050 -2.106) 3.724 10.130 ( 2.452 -1.202 -0.557) 2.787 10.255 ( 1.701 -0.384 1.978) 2.637 10.326 ( -3.996 3.267 1.296) 5.322 10.401 ( -6.502 -1.104 -2.573) 7.079 10.454 ( -1.990 0.939 -1.331) 2.572 10.506 ( -3.101 -2.732 -2.975) 5.093 10.539 ( 1.599 1.226 -0.886) 2.201 10.631 ( 0.621 -0.031 -6.463) 6.493 10.825 ( 2.140 -0.423 4.427) 4.935 10.878 ( 0.404 -1.746 0.833) 1.976 10.905 ( -1.495 0.848 1.267) 2.136 10.976 ( -3.818 0.447 -0.478) 3.874 11.181 ( -1.309 -2.150 3.992) 4.720 11.205 ( 3.878 -0.620 7.547) 8.508 11.281 ( 1.069 -0.875 0.555) 1.488 11.439 ( 6.191 -0.498 -3.328) 7.046 11.449 ( 2.176 6.669 -0.398) 7.026 11.527 ( -0.386 -5.204 -3.069) 6.054 11.573 ( -2.365 0.834 2.829) 3.781 11.611 ( 2.340 0.665 1.043) 2.647 11.625 ( -0.228 3.940 2.056) 4.450 11.748 ( 3.675 1.305 -1.349) 4.127 11.879 ( 4.761 -3.546 -3.671) 6.980 11.979 ( 1.425 -2.469 -2.161) 3.577 12.064 ( -6.050 4.286 -7.221) 10.349 12.101 ( 3.101 -1.590 0.092) 3.486 12.252 ( -3.605 -2.125 -1.520) 4.452 12.294 ( -0.749 -3.239 -4.616) 5.689 12.344 ( -1.086 -0.584 -1.141) 1.680 12.428 ( -1.725 0.579 -0.473) 1.880 12.473 ( -4.941 -0.841 -1.848) 5.342 12.515 ( -4.483 2.447 1.658) 5.370 12.571 ( 3.319 -6.253 0.029) 7.080 12.644 ( -3.091 1.162 3.049) 4.495 12.715 ( 1.623 3.901 -0.135) 4.228 12.770 ( 1.546 -1.595 -0.068) 2.222 12.909 ( -1.456 -1.922 4.250) 4.886 12.987 ( 6.255 -4.082 -7.115) 10.315 13.237 ( -10.382 2.217 3.449) 11.163 13.319 ( -12.233 4.711 -4.655) 13.910 13.421 ( -11.437 -0.078 5.801) 12.824 13.482 ( -7.564 3.153 3.205) 8.799 13.531 ( -8.062 -0.496 1.593) 8.232 13.597 ( -3.161 -1.433 -3.004) 4.590 13.828 ( -2.845 -0.515 5.934) 6.601 13.918 ( -12.954 -5.173 0.431) 13.955 14.038 ( 0.018 4.652 -4.197) 6.265 14.106 ( -6.482 1.385 -2.612) 7.124 14.306 ( -8.908 -4.252 0.696) 9.896 14.391 ( -6.630 -3.073 8.090) 10.902 14.471 ( -10.451 2.940 1.701) 10.989 14.650 ( -9.651 -5.590 3.847) 11.798 14.849 ( -16.659 -0.875 -0.233) 16.683 14.896 ( -8.484 -5.899 5.329) 11.627 15.029 ( 0.620 1.122 5.479) 5.627 15.144 ( 1.953 -0.539 0.956) 2.240 15.454 ( -3.224 -8.314 -5.353) 10.401 15.483 ( 3.296 4.278 4.001) 6.721 15.584 ( 6.195 7.349 8.375) 12.749 15.736 ( -17.561 1.523 3.102) 17.898 15.765 ( -7.082 -1.007 4.771) 8.598 16.054 ( 13.685 -1.386 -8.005) 15.915 16.123 ( 4.360 -2.800 1.922) 5.527 16.270 ( 16.809 2.393 0.993) 17.008 16.581 ( 0.620 3.544 7.533) 8.348 16.677 ( 2.164 1.902 0.502) 2.924 16.772 ( 19.161 8.957 -4.094) 21.543 16.864 ( 14.091 -7.078 -6.627) 17.105 16.895 ( 5.828 -3.626 2.750) 7.395 17.536 ( 16.201 4.521 3.855) 17.256 17.614 ( -1.620 1.548 -10.175) 10.419 17.820 ( -11.827 -0.925 -13.022) 17.615 18.536 ( 12.881 0.043 -17.152) 21.450 ======================= Grid point 72 (20/32) ======================= q-point: ( 0.29 0.29 0.20) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 13.548 12.209 18.170) 25.744 1.990 ( -10.239 -3.267 16.245) 19.478 2.172 ( 13.130 15.909 -1.702) 20.698 2.262 ( -0.136 -1.272 1.257) 1.793 2.323 ( 4.195 -2.023 3.716) 5.958 2.562 ( -3.157 7.184 -0.685) 7.877 2.632 ( -1.669 -0.253 1.218) 2.081 2.701 ( -0.983 -10.584 -0.087) 10.630 2.760 ( -12.107 -4.053 0.699) 12.787 2.843 ( -0.330 -14.402 0.322) 14.409 3.103 ( 0.195 2.471 -6.094) 6.579 3.182 ( -0.462 -4.558 -6.604) 8.037 3.368 ( 10.893 28.036 4.187) 30.368 3.599 ( 1.068 5.375 1.719) 5.743 3.677 ( 1.253 3.602 3.332) 5.065 3.778 ( 5.742 -6.178 -3.322) 9.065 3.789 ( -1.145 -0.194 -1.305) 1.747 3.824 ( -1.664 1.560 -1.023) 2.500 3.898 ( -0.736 -2.484 -2.106) 3.339 3.985 ( -5.381 -1.260 -4.961) 7.426 4.006 ( -3.761 -6.131 -3.660) 8.070 4.083 ( -5.006 -1.203 -5.744) 7.714 4.118 ( 8.013 -7.137 -6.251) 12.418 4.175 ( -3.386 3.205 -1.908) 5.038 4.254 ( 0.804 5.163 -0.431) 5.243 4.290 ( 3.558 6.477 -1.912) 7.633 4.338 ( 1.688 -0.788 -0.445) 1.915 4.414 ( 1.926 -1.713 4.892) 5.530 4.418 ( -1.553 -5.364 2.061) 5.953 4.492 ( -2.094 -1.820 5.008) 5.725 4.576 ( 2.589 1.652 2.239) 3.801 4.624 ( -1.556 2.133 1.108) 2.863 4.628 ( 2.963 3.427 4.107) 6.115 4.663 ( -5.799 -0.363 9.501) 11.137 4.729 ( 0.190 -1.836 1.555) 2.413 4.758 ( 0.004 0.952 4.098) 4.207 4.830 ( -3.286 -8.719 3.465) 9.941 4.975 ( 3.904 3.399 1.414) 5.366 5.067 ( -0.407 4.022 6.953) 8.043 5.101 ( 1.682 -1.827 3.084) 3.959 5.129 ( -2.610 -3.766 -0.056) 4.583 5.219 ( -2.640 -8.613 3.061) 9.515 5.275 ( 3.973 6.469 -2.232) 7.913 5.339 ( -1.779 2.456 3.816) 4.874 5.422 ( -2.394 -7.980 1.976) 8.563 5.563 ( -0.052 3.480 -5.925) 6.872 5.632 ( 3.803 2.883 -8.134) 9.431 5.665 ( -1.999 -4.623 -4.856) 6.996 5.701 ( -1.085 4.227 1.467) 4.604 5.826 ( -3.582 -7.702 -2.689) 8.910 5.865 ( -2.859 -6.813 -7.536) 10.554 6.000 ( 3.689 2.663 0.548) 4.583 6.043 ( -1.103 0.401 -3.742) 3.921 6.077 ( 0.564 3.137 -2.481) 4.039 6.167 ( -0.134 1.342 -5.264) 5.434 6.195 ( 0.129 -1.665 -7.478) 7.662 6.319 ( -2.872 -4.025 5.357) 7.290 6.390 ( 0.040 2.369 3.970) 4.623 6.474 ( 0.467 -0.597 -2.766) 2.868 6.535 ( -1.390 -3.761 -5.465) 6.779 6.616 ( -1.928 -4.407 6.375) 7.986 6.720 ( 3.108 0.229 6.483) 7.193 6.809 ( -3.835 -3.023 5.439) 7.309 6.920 ( 0.833 4.384 -4.933) 6.652 7.014 ( -0.950 8.132 0.715) 8.219 7.030 ( 6.157 0.782 2.097) 6.551 7.117 ( 4.681 2.761 -6.313) 8.330 7.181 ( -1.477 -4.768 6.345) 8.073 7.217 ( -3.889 1.218 -3.313) 5.252 7.252 ( 1.051 -2.628 1.586) 3.244 7.335 ( -0.945 -2.246 -3.429) 4.207 7.368 ( -5.557 3.445 3.707) 7.516 7.471 ( -0.857 -8.511 1.296) 8.651 7.538 ( -0.430 1.361 5.122) 5.317 7.621 ( 2.324 -5.815 -2.739) 6.835 7.647 ( -6.840 -2.581 2.155) 7.622 7.786 ( 1.716 1.139 -4.483) 4.934 7.856 ( -0.572 -4.376 -4.731) 6.470 7.864 ( -3.201 -3.671 -3.992) 6.298 8.004 ( 2.272 2.301 2.003) 3.804 8.115 ( -4.630 -5.292 4.318) 8.252 8.201 ( 1.840 -2.038 1.784) 3.274 8.228 ( -2.322 1.775 3.138) 4.289 8.343 ( 1.301 -2.284 0.426) 2.663 8.437 ( 1.025 3.394 5.934) 6.912 8.466 ( -0.863 1.826 -0.688) 2.134 8.554 ( -2.252 -5.012 3.906) 6.742 8.717 ( 0.475 0.337 0.338) 0.673 8.753 ( 0.313 1.534 3.471) 3.808 8.773 ( -0.629 -0.754 3.660) 3.790 8.914 ( 2.987 3.872 2.468) 5.478 8.958 ( 0.070 1.819 -1.856) 2.599 8.989 ( -0.519 -1.615 -0.401) 1.743 9.191 ( 1.009 1.580 -6.235) 6.511 9.251 ( 0.878 0.993 2.081) 2.467 9.296 ( -0.032 -1.060 3.893) 4.035 9.334 ( 1.374 0.380 -0.857) 1.663 9.374 ( -2.186 -1.699 -0.798) 2.881 9.482 ( 0.103 -0.426 3.226) 3.256 9.505 ( 0.859 3.538 -1.481) 3.931 9.586 ( -1.885 -3.291 -1.848) 4.219 9.686 ( 0.562 0.922 -3.192) 3.370 9.719 ( 1.564 3.174 1.759) 3.951 9.820 ( 2.221 1.991 -3.743) 4.786 9.871 ( -0.880 -0.597 -0.678) 1.261 9.912 ( -1.148 -2.469 1.156) 2.958 10.025 ( 1.272 -1.614 1.752) 2.700 10.048 ( -3.295 -2.320 2.016) 4.506 10.252 ( 1.269 0.606 0.849) 1.643 10.297 ( -2.170 -0.719 1.678) 2.836 10.462 ( -0.238 0.972 -2.858) 3.028 10.511 ( -0.429 2.239 -1.795) 2.901 10.570 ( 0.973 -1.683 -4.207) 4.635 10.608 ( 1.278 0.505 -4.828) 5.020 10.626 ( 6.060 4.882 -2.250) 8.101 10.780 ( -3.222 -2.341 1.219) 4.165 10.837 ( -0.497 -0.956 7.249) 7.329 10.969 ( 3.439 3.271 -4.392) 6.466 11.009 ( -1.597 2.927 -1.831) 3.804 11.096 ( -2.861 -5.480 1.421) 6.343 11.214 ( 1.560 2.370 2.342) 3.679 11.295 ( -0.212 1.515 0.872) 1.761 11.329 ( -2.784 -4.520 -1.146) 5.431 11.489 ( 0.903 5.149 -0.271) 5.234 11.508 ( -1.407 4.720 -1.571) 5.170 11.590 ( 1.044 -2.625 0.988) 2.993 11.631 ( 3.954 -2.687 3.619) 5.996 11.661 ( -0.307 -1.423 2.556) 2.942 11.744 ( -4.666 -5.104 -0.694) 6.951 11.758 ( 3.362 2.698 -0.412) 4.331 11.906 ( -2.992 -4.421 -0.530) 5.365 12.008 ( -2.702 -4.819 -1.116) 5.636 12.174 ( 2.067 1.931 -13.184) 13.484 12.285 ( 1.359 2.300 -0.020) 2.671 12.302 ( 0.868 1.969 -5.823) 6.208 12.355 ( -1.675 -2.017 -0.081) 2.623 12.408 ( 0.364 -1.506 0.119) 1.554 12.450 ( -2.723 -0.768 -1.132) 3.047 12.595 ( 3.221 6.608 -2.847) 7.883 12.611 ( 3.302 3.032 0.518) 4.513 12.666 ( -2.279 1.325 1.703) 3.139 12.688 ( 0.361 -3.158 1.302) 3.435 12.780 ( 1.689 -8.628 -5.569) 10.408 12.803 ( -6.043 0.566 -1.236) 6.194 12.930 ( 0.191 0.941 6.433) 6.504 13.475 ( 7.007 7.854 3.921) 11.232 13.521 ( 4.046 8.700 -7.096) 11.934 13.551 ( -1.847 3.838 3.785) 5.699 13.616 ( 1.168 11.508 7.409) 13.736 13.631 ( 1.167 5.837 0.572) 5.980 13.660 ( 5.625 -2.668 2.559) 6.730 13.892 ( 4.554 -0.132 -0.078) 4.556 13.980 ( -3.947 -1.955 -0.828) 4.482 14.103 ( 4.759 1.234 -4.634) 6.756 14.159 ( -1.306 -0.344 -5.842) 5.996 14.380 ( -1.463 -1.752 12.184) 12.396 14.461 ( 5.485 10.932 7.123) 14.153 14.614 ( 5.035 5.006 -1.432) 7.243 14.725 ( -9.889 -7.806 7.466) 14.644 14.881 ( 6.215 12.498 6.457) 15.379 15.012 ( -0.760 6.022 8.631) 10.552 15.102 ( 7.372 -7.080 12.041) 15.794 15.258 ( -6.854 -3.887 7.971) 11.208 15.327 ( 7.647 11.943 -5.222) 15.112 15.480 ( -3.766 3.475 -4.636) 6.911 15.624 ( 5.606 -10.817 -1.608) 12.289 15.803 ( -7.298 -2.956 -2.531) 8.271 15.893 ( -0.606 -3.319 3.325) 4.737 16.015 ( 1.474 5.258 -3.970) 6.751 16.076 ( -4.251 3.880 -1.199) 5.879 16.116 ( 13.983 8.603 -1.787) 16.514 16.484 ( -19.355 -5.566 -6.786) 21.252 16.495 ( -1.073 -13.425 -3.611) 13.944 16.576 ( -1.984 -14.995 -3.161) 15.452 16.673 ( 0.168 -1.161 7.596) 7.686 16.952 ( 5.435 11.444 9.301) 15.717 17.259 ( -8.191 -15.017 6.605) 18.336 17.671 ( 0.999 1.875 -13.920) 14.081 18.026 ( 6.996 10.193 -13.355) 18.199 18.301 ( -7.557 -11.639 -15.664) 20.927 ======================= Grid point 110 (21/32) ======================= q-point: ( 0.00 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.000 0.000 25.312) 25.312 1.132 ( -0.000 0.000 25.312) 25.312 1.570 ( 0.000 0.000 33.658) 33.658 1.651 ( 0.000 0.000 -23.474) 23.474 1.651 ( -0.000 0.000 -23.474) 23.474 2.264 ( 0.000 0.000 -31.155) 31.155 2.887 ( -0.000 0.000 -0.589) 0.589 2.893 ( 0.000 0.000 -0.471) 0.471 3.228 ( 0.000 0.000 10.784) 10.784 3.228 ( 0.000 0.000 10.784) 10.784 3.445 ( 0.000 0.000 -8.739) 8.739 3.445 ( 0.000 -0.000 -8.739) 8.739 3.553 ( 0.000 0.000 2.169) 2.169 3.553 ( 0.000 -0.000 2.169) 2.169 3.612 ( 0.000 0.000 -1.927) 1.927 3.612 ( -0.000 -0.000 -1.927) 1.927 3.674 ( 0.000 0.000 18.909) 18.909 3.814 ( 0.000 0.000 3.601) 3.601 3.814 ( -0.000 0.000 3.601) 3.601 3.869 ( 0.000 0.000 8.085) 8.085 3.896 ( 0.000 -0.000 -3.245) 3.245 3.896 ( 0.000 -0.000 -3.245) 3.245 3.924 ( 0.000 0.000 -2.267) 2.267 4.050 ( 0.000 0.000 -8.455) 8.455 4.192 ( 0.000 0.000 1.702) 1.702 4.192 ( 0.000 0.000 1.702) 1.702 4.224 ( 0.000 0.000 -5.381) 5.381 4.249 ( 0.000 0.000 -6.683) 6.683 4.253 ( 0.000 -0.000 -4.589) 4.589 4.253 ( 0.000 -0.000 -4.589) 4.589 4.427 ( 0.000 0.000 6.304) 6.304 4.427 ( 0.000 0.000 6.304) 6.304 4.569 ( 0.000 0.000 -5.316) 5.316 4.569 ( -0.000 0.000 -5.316) 5.316 4.934 ( 0.000 0.000 -1.448) 1.448 4.934 ( 0.000 0.000 -1.448) 1.448 5.015 ( 0.000 0.000 -5.980) 5.980 5.015 ( 0.000 -0.000 -5.980) 5.980 5.078 ( 0.000 0.000 7.383) 7.383 5.188 ( 0.000 0.000 -2.656) 2.656 5.277 ( 0.000 0.000 3.933) 3.933 5.383 ( 0.000 0.000 -6.035) 6.035 5.563 ( -0.000 0.000 12.184) 12.184 5.563 ( -0.000 -0.000 12.184) 12.184 5.664 ( -0.000 -0.000 14.749) 14.749 5.664 ( 0.000 0.000 14.749) 14.749 5.810 ( 0.000 0.000 8.546) 8.546 5.829 ( 0.000 0.000 -8.555) 8.555 5.829 ( 0.000 0.000 -8.555) 8.555 5.916 ( 0.000 0.000 -3.180) 3.180 5.964 ( 0.000 0.000 -10.173) 10.173 5.964 ( 0.000 -0.000 -10.173) 10.173 6.216 ( 0.000 0.000 1.936) 1.936 6.273 ( 0.000 0.000 -6.148) 6.148 6.307 ( 0.000 0.000 1.987) 1.987 6.406 ( 0.000 0.000 -10.129) 10.129 6.589 ( 0.000 -0.000 12.006) 12.006 6.589 ( 0.000 0.000 12.006) 12.006 6.774 ( 0.000 0.000 -5.103) 5.103 6.774 ( 0.000 -0.000 -5.103) 5.103 6.874 ( 0.000 0.000 9.544) 9.544 7.057 ( 0.000 0.000 -7.155) 7.155 7.107 ( 0.000 -0.000 9.632) 9.632 7.107 ( 0.000 -0.000 9.632) 9.632 7.203 ( 0.000 0.000 7.569) 7.569 7.284 ( 0.000 0.000 8.018) 8.018 7.284 ( 0.000 -0.000 8.018) 8.018 7.345 ( 0.000 0.000 -4.162) 4.162 7.345 ( 0.000 0.000 -4.162) 4.162 7.394 ( 0.000 0.000 -10.874) 10.874 7.629 ( -0.000 0.000 -15.532) 15.532 7.629 ( 0.000 0.000 -15.532) 15.532 7.704 ( 0.000 -0.000 7.008) 7.008 7.704 ( 0.000 0.000 7.008) 7.008 7.802 ( 0.000 0.000 6.894) 6.894 7.879 ( 0.000 0.000 -7.237) 7.237 7.879 ( 0.000 0.000 -7.237) 7.237 7.923 ( 0.000 0.000 -3.749) 3.749 8.134 ( 0.000 0.000 4.972) 4.972 8.134 ( 0.000 0.000 4.972) 4.972 8.147 ( 0.000 0.000 5.814) 5.814 8.182 ( 0.000 0.000 2.111) 2.111 8.259 ( 0.000 0.000 -3.606) 3.606 8.259 ( 0.000 0.000 -3.606) 3.606 8.355 ( 0.000 0.000 -0.597) 0.597 8.355 ( 0.000 0.000 -0.597) 0.597 8.413 ( 0.000 0.000 -2.761) 2.761 8.413 ( 0.000 -0.000 -2.761) 2.761 8.529 ( 0.000 0.000 -0.856) 0.856 8.557 ( 0.000 0.000 -3.283) 3.283 9.066 ( 0.000 0.000 2.895) 2.895 9.066 ( 0.000 0.000 2.895) 2.895 9.147 ( 0.000 0.000 8.090) 8.090 9.166 ( 0.000 0.000 -5.405) 5.405 9.166 ( 0.000 0.000 -5.405) 5.405 9.262 ( 0.000 0.000 -2.868) 2.868 9.277 ( 0.000 0.000 4.658) 4.658 9.277 ( 0.000 0.000 4.658) 4.658 9.384 ( 0.000 0.000 2.094) 2.094 9.410 ( 0.000 0.000 -6.824) 6.824 9.410 ( 0.000 -0.000 -6.824) 6.824 9.522 ( 0.000 0.000 -9.959) 9.959 9.818 ( 0.000 0.000 -1.429) 1.429 9.834 ( 0.000 0.000 -2.371) 2.371 9.933 ( 0.000 0.000 10.249) 10.249 9.933 ( 0.000 -0.000 10.249) 10.249 10.176 ( 0.000 0.000 -11.499) 11.499 10.176 ( 0.000 0.000 -11.499) 11.499 10.394 ( 0.000 0.000 3.046) 3.046 10.421 ( 0.000 0.000 0.060) 0.060 10.424 ( 0.000 0.000 10.133) 10.133 10.424 ( 0.000 -0.000 10.133) 10.133 10.522 ( 0.000 0.000 -0.364) 0.364 10.522 ( 0.000 -0.000 -0.364) 0.364 10.668 ( 0.000 -0.000 1.752) 1.752 10.668 ( 0.000 0.000 1.752) 1.752 10.765 ( 0.000 0.000 -5.224) 5.224 10.765 ( 0.000 -0.000 -5.224) 5.224 11.170 ( 0.000 0.000 13.233) 13.233 11.367 ( 0.000 0.000 6.651) 6.651 11.367 ( 0.000 0.000 6.651) 6.651 11.398 ( 0.000 0.000 -7.853) 7.853 11.504 ( 0.000 0.000 -4.314) 4.314 11.504 ( -0.000 -0.000 -4.314) 4.314 11.698 ( 0.000 0.000 1.226) 1.226 11.698 ( 0.000 0.000 1.226) 1.226 11.777 ( 0.000 -0.000 -7.641) 7.641 11.777 ( 0.000 0.000 -7.641) 7.641 11.882 ( 0.000 -0.000 3.540) 3.540 11.882 ( 0.000 0.000 3.540) 3.540 11.913 ( 0.000 0.000 3.946) 3.946 11.925 ( 0.000 0.000 1.360) 1.360 11.983 ( 0.000 0.000 -5.205) 5.205 11.983 ( 0.000 0.000 -5.205) 5.205 12.048 ( 0.000 0.000 -1.023) 1.023 12.100 ( -0.000 0.000 -3.621) 3.621 12.411 ( 0.000 0.000 6.761) 6.761 12.411 ( 0.000 -0.000 6.761) 6.761 12.528 ( 0.000 0.000 -3.437) 3.437 12.528 ( 0.000 0.000 -3.437) 3.437 12.599 ( 0.000 0.000 3.979) 3.979 12.647 ( 0.000 0.000 0.582) 0.582 12.809 ( 0.000 0.000 2.028) 2.028 12.809 ( 0.000 -0.000 2.028) 2.028 12.834 ( 0.000 0.000 -0.283) 0.283 12.834 ( 0.000 -0.000 -0.283) 0.283 13.156 ( 0.000 -0.000 0.334) 0.334 13.156 ( 0.000 -0.000 0.334) 0.334 13.169 ( 0.000 0.000 -0.826) 0.826 13.169 ( 0.000 0.000 -0.826) 0.826 13.509 ( 0.000 0.000 9.532) 9.532 13.547 ( -0.000 0.000 5.015) 5.015 13.547 ( 0.000 -0.000 5.015) 5.015 13.602 ( 0.000 0.000 -2.475) 2.475 13.637 ( -0.000 0.000 -3.310) 3.310 13.637 ( 0.000 -0.000 -3.310) 3.310 13.796 ( 0.000 0.000 -5.162) 5.162 13.964 ( 0.000 0.000 -17.024) 17.024 14.470 ( 0.000 0.000 2.034) 2.034 14.470 ( 0.000 -0.000 2.034) 2.034 14.573 ( 0.000 0.000 -6.925) 6.925 14.573 ( 0.000 -0.000 -6.925) 6.925 14.928 ( 0.000 0.000 2.353) 2.353 14.970 ( 0.000 0.000 -1.658) 1.658 16.105 ( 0.000 0.000 22.911) 22.911 16.105 ( 0.000 -0.000 22.911) 22.911 16.147 ( 0.000 0.000 16.257) 16.257 16.197 ( 0.000 0.000 13.226) 13.226 16.394 ( 0.000 0.000 4.697) 4.697 16.559 ( 0.000 0.000 -18.320) 18.320 16.559 ( 0.000 -0.000 -18.320) 18.320 16.578 ( 0.000 0.000 -14.189) 14.189 16.876 ( 0.000 0.000 14.520) 14.520 16.876 ( 0.000 0.000 14.520) 14.520 17.197 ( 0.000 0.000 -14.353) 14.353 17.197 ( 0.000 -0.000 -14.353) 14.353 17.218 ( 0.000 0.000 -4.653) 4.653 17.264 ( 0.000 0.000 -7.913) 7.913 18.382 ( 0.000 0.000 11.605) 11.605 18.627 ( 0.000 0.000 -10.827) 10.827 ======================= Grid point 111 (22/32) ======================= q-point: ( 0.14 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 9.560 5.519 17.775) 20.924 1.348 ( 13.650 7.881 19.311) 24.926 1.621 ( 4.800 2.771 -15.256) 16.232 1.779 ( 9.122 5.267 -18.896) 21.634 1.799 ( 15.621 9.019 24.185) 30.171 2.431 ( 13.932 8.044 -27.495) 31.855 2.807 ( -7.003 -4.043 0.989) 8.146 2.820 ( -4.773 -2.756 -0.549) 5.539 3.129 ( -4.360 -2.517 4.627) 6.838 3.176 ( -13.369 -7.719 -6.779) 16.860 3.293 ( -2.378 -1.373 10.993) 11.331 3.522 ( -1.567 -0.905 -3.886) 4.287 3.539 ( -0.557 -0.321 4.123) 4.172 3.560 ( -4.149 -2.395 15.076) 15.819 3.610 ( 0.889 0.513 7.170) 7.243 3.633 ( 1.971 1.138 -0.334) 2.300 3.716 ( 5.594 3.230 -5.294) 8.351 3.794 ( 0.230 0.133 3.762) 3.771 3.832 ( -1.848 -1.067 4.133) 4.652 3.901 ( 4.334 2.502 -5.300) 7.290 3.918 ( -1.108 -0.640 -0.525) 1.383 3.925 ( 2.982 1.722 -4.214) 5.442 4.015 ( 5.648 3.261 -0.852) 6.577 4.039 ( -0.069 -0.040 -5.422) 5.423 4.134 ( -0.550 -0.318 -1.823) 1.930 4.164 ( 0.823 0.475 -1.052) 1.418 4.186 ( 1.531 0.884 1.061) 2.061 4.289 ( 1.855 1.071 -1.589) 2.667 4.322 ( 1.698 0.981 -3.578) 4.080 4.358 ( 5.914 3.414 -4.879) 8.393 4.466 ( 2.344 1.353 5.310) 5.960 4.488 ( 5.378 3.105 3.048) 6.918 4.534 ( -1.427 -0.824 -0.828) 1.844 4.615 ( 2.389 1.380 -6.540) 7.098 4.902 ( -3.710 -2.142 -3.399) 5.468 4.931 ( -0.088 -0.051 -6.059) 6.060 4.954 ( 1.409 0.813 6.177) 6.387 5.063 ( -0.942 -0.544 -5.581) 5.686 5.076 ( -0.372 -0.215 5.889) 5.905 5.224 ( 2.609 1.506 -3.349) 4.504 5.298 ( 1.840 1.062 4.088) 4.607 5.405 ( 0.697 0.402 -7.073) 7.119 5.481 ( -3.648 -2.106 9.433) 10.331 5.527 ( -3.741 -2.160 7.623) 8.762 5.598 ( -5.872 -3.390 10.348) 12.371 5.644 ( -8.694 -5.019 -5.464) 11.429 5.682 ( -1.872 -1.081 11.610) 11.809 5.726 ( -6.475 -3.738 -2.924) 8.028 5.815 ( 0.604 0.349 7.932) 7.962 5.929 ( -2.321 -1.340 -5.005) 5.677 5.946 ( -2.352 -1.358 -11.261) 11.584 6.025 ( 3.594 2.075 -8.372) 9.344 6.183 ( -2.404 -1.388 1.055) 2.970 6.213 ( -5.258 -3.036 -1.254) 6.199 6.293 ( -1.059 -0.611 -0.333) 1.267 6.312 ( -7.046 -4.068 -4.522) 9.309 6.569 ( -9.249 -5.340 8.674) 13.758 6.584 ( -2.004 -1.157 8.448) 8.760 6.657 ( -8.270 -4.774 -2.413) 9.849 6.690 ( -2.216 -1.279 9.281) 9.627 6.850 ( 1.064 0.614 -6.616) 6.729 6.875 ( -7.271 -4.198 -6.186) 10.429 7.040 ( -5.776 -3.335 7.183) 9.802 7.125 ( -4.557 -2.631 13.588) 14.571 7.191 ( -1.837 -1.061 7.521) 7.815 7.245 ( -2.505 -1.446 -0.181) 2.899 7.323 ( -1.588 -0.917 -3.748) 4.172 7.368 ( -2.961 -1.710 -8.891) 9.526 7.369 ( -3.680 -2.124 -4.716) 6.347 7.458 ( 7.028 4.058 11.909) 14.412 7.473 ( -0.552 -0.319 4.498) 4.543 7.522 ( -5.596 -3.231 -11.102) 12.845 7.635 ( -7.770 -4.486 -2.740) 9.381 7.644 ( -4.312 -2.489 -8.982) 10.269 7.806 ( -0.131 -0.076 -1.596) 1.603 7.841 ( -0.177 -0.102 6.099) 6.102 7.914 ( 2.670 1.542 5.082) 5.944 7.938 ( -9.034 -5.216 -0.931) 10.473 7.997 ( -9.551 -5.514 -7.512) 13.344 8.103 ( -2.209 -1.275 1.400) 2.909 8.115 ( -1.909 -1.102 -7.021) 7.359 8.197 ( 1.040 0.600 5.401) 5.533 8.205 ( -0.159 -0.092 6.402) 6.405 8.318 ( -0.145 -0.084 -0.997) 1.011 8.356 ( 9.555 5.516 -5.021) 12.122 8.368 ( 3.576 2.065 -3.903) 5.682 8.414 ( 1.899 1.096 -2.789) 3.547 8.620 ( 4.513 2.606 0.340) 5.223 8.629 ( 9.298 5.368 -0.964) 10.779 8.711 ( 9.212 5.318 0.990) 10.683 8.962 ( -3.987 -2.302 3.983) 6.087 9.079 ( -3.817 -2.204 -5.242) 6.849 9.097 ( -3.267 -1.886 6.199) 7.257 9.144 ( 1.727 0.997 1.860) 2.726 9.180 ( -2.566 -1.482 0.077) 2.964 9.250 ( 0.054 0.031 -1.707) 1.708 9.293 ( 1.920 1.108 2.341) 3.224 9.334 ( 2.631 1.519 2.948) 4.233 9.364 ( -1.366 -0.789 -3.784) 4.100 9.403 ( 0.920 0.531 -2.641) 2.846 9.498 ( 6.207 3.583 -5.079) 8.784 9.571 ( 1.575 0.909 -9.443) 9.616 9.797 ( -3.970 -2.292 3.616) 5.839 9.842 ( 2.916 1.684 -1.048) 3.527 9.844 ( 0.401 0.231 -0.565) 0.730 10.019 ( -4.062 -2.345 6.401) 7.936 10.023 ( -3.684 -2.127 -6.141) 7.470 10.219 ( 2.327 1.343 -0.730) 2.784 10.222 ( -7.507 -4.334 2.563) 9.040 10.398 ( -0.752 -0.434 -0.681) 1.104 10.416 ( -4.756 -2.746 -0.241) 5.497 10.449 ( -1.170 -0.675 2.628) 2.955 10.471 ( 0.893 0.515 7.812) 7.880 10.559 ( 0.514 0.297 -1.013) 1.174 10.717 ( 6.094 3.518 2.248) 7.387 10.741 ( 3.092 1.785 0.073) 3.571 10.743 ( -3.729 -2.153 -4.128) 5.965 10.779 ( 1.192 0.688 -4.917) 5.106 11.174 ( 0.312 0.180 10.741) 10.747 11.262 ( -5.014 -2.895 4.664) 7.434 11.364 ( -1.705 -0.985 8.092) 8.328 11.394 ( -4.759 -2.748 -5.509) 7.781 11.466 ( 0.684 0.395 -5.831) 5.884 11.526 ( -0.066 -0.038 -2.527) 2.528 11.653 ( -2.883 -1.665 -0.069) 3.330 11.669 ( -2.257 -1.303 1.032) 2.803 11.711 ( -7.128 -4.115 -6.303) 10.366 11.718 ( -1.155 -0.667 -3.344) 3.601 11.836 ( -5.619 -3.244 0.973) 6.561 11.885 ( 0.212 0.123 1.207) 1.232 11.955 ( 2.212 1.277 -1.704) 3.071 11.967 ( 3.856 2.226 4.345) 6.221 12.070 ( 5.420 3.129 -1.582) 6.455 12.075 ( 5.599 3.232 0.178) 6.467 12.100 ( 4.965 2.867 -1.213) 5.860 12.143 ( 3.800 2.194 -1.477) 4.629 12.341 ( -0.159 -0.092 0.513) 0.545 12.428 ( -1.778 -1.027 -1.738) 2.690 12.517 ( 4.606 2.659 7.383) 9.099 12.585 ( -2.183 -1.261 -4.877) 5.490 12.611 ( 1.310 0.756 2.984) 3.345 12.624 ( -1.278 -0.738 -0.723) 1.643 12.808 ( 2.516 1.453 2.665) 3.942 12.858 ( 4.106 2.371 -1.676) 5.029 12.878 ( 3.812 2.201 3.129) 5.401 12.903 ( 2.912 1.681 -0.456) 3.393 13.163 ( 1.589 0.918 1.555) 2.406 13.198 ( 1.722 0.994 0.080) 1.990 13.223 ( 4.915 2.838 1.782) 5.949 13.268 ( 4.072 2.351 -0.460) 4.724 13.517 ( 7.998 4.618 -0.667) 9.259 13.562 ( 1.022 0.590 -6.096) 6.210 13.664 ( 7.982 4.609 4.267) 10.157 13.720 ( 14.818 8.555 5.329) 17.921 13.815 ( 10.063 5.810 -6.977) 13.553 13.833 ( 15.249 8.804 0.418) 17.614 13.906 ( 8.913 5.146 2.377) 10.562 14.129 ( 15.552 8.979 -8.787) 19.992 14.347 ( -2.086 -1.204 -0.202) 2.417 14.524 ( 0.517 0.299 -5.804) 5.834 14.570 ( -3.200 -1.847 -1.656) 4.049 14.756 ( 17.475 10.089 -3.830) 20.539 15.050 ( 8.923 5.152 1.472) 10.408 15.053 ( 7.156 4.132 -1.190) 8.348 15.806 ( -16.523 -9.539 19.656) 27.393 16.116 ( -3.442 -1.987 16.633) 17.101 16.150 ( -3.568 -2.060 14.271) 14.854 16.253 ( -1.969 -1.137 14.141) 14.323 16.314 ( -3.108 -1.795 4.921) 6.091 16.407 ( -8.717 -5.033 -13.283) 16.666 16.426 ( -8.009 -4.624 -13.827) 16.635 16.649 ( -3.197 -1.846 -15.879) 16.303 16.863 ( -0.061 -0.035 15.417) 15.417 16.890 ( 0.805 0.465 14.728) 14.758 17.133 ( -7.463 -4.309 -4.329) 9.644 17.195 ( -6.331 -3.655 -8.213) 10.995 17.228 ( 1.521 0.878 -14.846) 14.950 17.244 ( 5.910 3.412 -16.169) 17.550 18.265 ( -10.115 -5.840 11.476) 16.375 18.519 ( -9.229 -5.328 -12.512) 16.435 ======================= Grid point 112 (23/32) ======================= q-point: ( 0.29 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 19.239 11.108 4.632) 22.693 1.700 ( 18.261 10.543 8.959) 22.911 1.797 ( 11.154 6.440 -14.172) 19.150 2.041 ( 13.571 7.835 -11.677) 19.542 2.195 ( 15.454 8.922 23.096) 29.186 2.655 ( -3.348 -1.933 5.107) 6.405 2.674 ( -10.517 -6.072 -2.236) 12.348 2.779 ( 4.990 2.881 -15.436) 16.477 2.877 ( 2.210 1.276 -5.298) 5.881 3.112 ( -13.113 -7.571 5.402) 16.076 3.118 ( 1.138 0.657 1.202) 1.781 3.351 ( -10.528 -6.079 19.706) 23.154 3.494 ( -2.401 -1.386 -1.470) 3.138 3.494 ( -11.180 -6.455 0.417) 12.916 3.572 ( -2.373 -1.370 3.227) 4.233 3.718 ( 4.747 2.741 0.917) 5.557 3.788 ( 4.604 2.658 -5.357) 7.548 3.792 ( 2.470 1.426 4.450) 5.286 3.820 ( 3.157 1.823 -0.619) 3.698 3.909 ( -2.278 -1.315 2.375) 3.544 3.931 ( 2.302 1.329 -0.805) 2.777 4.032 ( 3.562 2.056 -1.326) 4.321 4.115 ( 1.907 1.101 0.900) 2.379 4.120 ( 3.567 2.060 -5.918) 7.210 4.176 ( 2.024 1.168 -2.475) 3.404 4.216 ( 0.887 0.512 -5.468) 5.563 4.244 ( 4.734 2.733 -5.013) 7.417 4.307 ( -0.252 -0.146 -2.306) 2.324 4.392 ( 6.981 4.030 5.369) 9.685 4.413 ( -1.727 -0.997 4.148) 4.602 4.503 ( 0.854 0.493 1.866) 2.111 4.562 ( 5.533 3.194 -2.301) 6.791 4.619 ( 5.172 2.986 -2.235) 6.376 4.680 ( 3.340 1.928 -3.537) 5.233 4.813 ( -3.542 -2.045 1.375) 4.315 4.978 ( 0.177 0.102 10.477) 10.479 4.981 ( 3.439 1.986 -5.960) 7.162 5.006 ( -3.985 -2.301 -3.877) 6.017 5.089 ( 2.720 1.570 0.969) 3.286 5.233 ( -3.008 -1.737 -0.585) 3.522 5.314 ( -3.530 -2.038 3.430) 5.327 5.341 ( -4.217 -2.435 -1.070) 4.986 5.401 ( -3.632 -2.097 -7.012) 8.171 5.410 ( -3.001 -1.733 7.940) 8.663 5.447 ( -4.439 -2.563 -6.337) 8.151 5.562 ( -8.662 -5.001 14.106) 17.292 5.624 ( 2.583 1.491 6.213) 6.892 5.677 ( 1.437 0.830 -5.178) 5.437 5.820 ( -9.272 -5.353 -9.466) 14.291 5.847 ( -3.821 -2.206 -4.402) 6.233 5.871 ( 5.010 2.893 5.019) 7.659 6.005 ( -6.789 -3.920 -4.748) 9.165 6.078 ( -5.817 -3.359 5.352) 8.589 6.121 ( -5.084 -2.935 0.667) 5.908 6.195 ( 0.913 0.527 -2.674) 2.874 6.232 ( -5.684 -3.282 -1.380) 6.707 6.400 ( -7.017 -4.051 -9.716) 12.651 6.412 ( -0.658 -0.380 2.819) 2.920 6.591 ( -1.333 -0.770 7.788) 7.939 6.674 ( -2.226 -1.285 5.401) 5.982 6.762 ( -5.163 -2.981 -3.923) 7.137 6.815 ( -6.312 -3.644 -2.216) 7.618 6.894 ( -7.767 -4.485 6.279) 10.949 6.996 ( -6.460 -3.730 2.184) 7.773 7.021 ( -5.532 -3.194 0.768) 6.433 7.183 ( -6.432 -3.714 -6.279) 9.725 7.197 ( -4.296 -2.480 11.274) 12.317 7.260 ( -4.308 -2.487 0.204) 4.979 7.306 ( -3.169 -1.829 3.509) 5.070 7.411 ( -2.857 -1.649 -9.307) 9.874 7.467 ( -7.862 -4.539 1.247) 9.163 7.493 ( -4.092 -2.363 6.693) 8.193 7.561 ( -5.819 -3.360 -3.004) 7.360 7.607 ( 2.737 1.580 4.720) 5.680 7.695 ( -5.156 -2.977 -2.064) 6.301 7.784 ( -7.343 -4.240 -7.586) 11.378 7.813 ( -0.122 -0.070 0.736) 0.749 7.852 ( 2.720 1.570 0.492) 3.179 7.970 ( 0.563 0.325 1.737) 1.855 8.063 ( -2.100 -1.213 -1.800) 3.020 8.140 ( 2.394 1.382 -2.882) 3.994 8.186 ( -1.516 -0.875 -1.245) 2.148 8.250 ( 3.867 2.233 4.044) 6.024 8.303 ( -1.544 -0.892 0.411) 1.830 8.404 ( 0.574 0.331 -7.647) 7.676 8.463 ( 3.505 2.024 1.235) 4.232 8.592 ( 9.540 5.508 -0.926) 11.055 8.697 ( 2.792 1.612 2.268) 3.942 8.760 ( 1.688 0.975 1.210) 2.294 8.861 ( 4.531 2.616 0.545) 5.261 8.905 ( -1.379 -0.796 3.117) 3.501 8.994 ( -4.750 -2.742 6.083) 8.190 9.033 ( 0.056 0.032 -1.634) 1.635 9.072 ( -4.206 -2.428 4.335) 6.509 9.223 ( 4.039 2.332 -5.008) 6.843 9.262 ( 0.652 0.376 -3.559) 3.638 9.322 ( 0.411 0.237 1.905) 1.963 9.336 ( 0.088 0.051 -2.125) 2.128 9.424 ( 3.469 2.003 3.857) 5.560 9.449 ( 3.450 1.992 -1.158) 4.148 9.567 ( -0.947 -0.547 -5.044) 5.162 9.597 ( 2.927 1.690 -4.311) 5.478 9.702 ( -5.387 -3.110 2.846) 6.841 9.840 ( -6.876 -3.970 4.552) 9.152 9.855 ( 3.123 1.803 -3.516) 5.037 9.957 ( 3.011 1.738 -3.159) 4.698 10.102 ( 2.386 1.378 -3.809) 4.701 10.166 ( 5.693 3.287 0.415) 6.587 10.234 ( -1.871 -1.080 0.597) 2.241 10.337 ( -1.531 -0.884 -1.682) 2.440 10.359 ( -1.339 -0.773 2.973) 3.351 10.440 ( 0.419 0.242 -0.467) 0.672 10.474 ( -0.909 -0.525 3.784) 3.927 10.563 ( -1.931 -1.115 6.108) 6.502 10.606 ( -6.197 -3.578 -5.642) 9.112 10.739 ( -3.672 -2.120 -7.840) 8.913 10.818 ( 3.583 2.069 2.630) 4.903 10.884 ( 7.723 4.459 -0.415) 8.927 11.169 ( -3.454 -1.994 6.006) 7.209 11.181 ( 0.403 0.233 6.375) 6.392 11.295 ( -2.697 -1.557 -3.943) 5.024 11.317 ( -2.404 -1.388 9.742) 10.130 11.464 ( -7.852 -4.534 6.855) 11.367 11.479 ( 0.214 0.123 -5.786) 5.792 11.522 ( -6.096 -3.520 -4.198) 8.196 11.593 ( -2.467 -1.424 -0.630) 2.917 11.630 ( -1.589 -0.917 1.295) 2.246 11.725 ( 1.128 0.651 -8.523) 8.622 11.741 ( -2.400 -1.385 -1.231) 3.032 11.894 ( 0.410 0.236 0.670) 0.820 11.960 ( -1.532 -0.884 -7.774) 7.973 11.989 ( 0.135 0.078 0.557) 0.579 12.176 ( 1.740 1.004 0.376) 2.044 12.188 ( 5.841 3.372 4.544) 8.133 12.218 ( 2.508 1.448 -0.016) 2.896 12.256 ( 6.236 3.601 -1.059) 7.279 12.393 ( 4.132 2.386 -0.078) 4.772 12.456 ( 3.413 1.971 -2.366) 4.597 12.463 ( -5.799 -3.348 -5.252) 8.510 12.584 ( 1.401 0.809 4.043) 4.355 12.634 ( -0.075 -0.043 1.864) 1.866 12.641 ( 2.211 1.277 -0.770) 2.667 12.890 ( 1.887 1.089 2.112) 3.034 12.907 ( 0.939 0.542 -0.829) 1.365 12.939 ( 1.642 0.948 1.740) 2.573 12.981 ( 3.521 2.033 -1.180) 4.234 13.212 ( 3.039 1.754 0.023) 3.509 13.269 ( 6.724 3.882 4.910) 9.186 13.332 ( 2.852 1.647 1.643) 3.681 13.368 ( 8.619 4.976 2.084) 10.169 13.680 ( 7.694 4.442 0.950) 8.935 13.731 ( 8.336 4.813 -6.857) 11.818 13.865 ( 9.022 5.209 2.256) 10.660 13.986 ( 3.324 1.919 -6.151) 7.250 14.073 ( 7.949 4.589 -0.652) 9.202 14.158 ( 23.144 13.362 7.479) 27.751 14.245 ( 19.027 10.985 2.338) 22.094 14.476 ( 13.361 7.714 -1.819) 15.535 14.507 ( -0.683 -0.394 2.572) 2.690 14.553 ( 21.358 12.331 -8.332) 26.032 14.602 ( 5.909 3.412 2.287) 7.196 15.119 ( 9.323 5.382 -4.613) 11.712 15.271 ( 13.142 7.587 3.341) 15.538 15.279 ( 13.079 7.551 -3.054) 15.408 15.458 ( -11.606 -6.701 16.239) 21.055 15.942 ( -11.670 -6.737 9.178) 16.304 16.014 ( -14.113 -8.148 -1.651) 16.380 16.075 ( -3.370 -1.946 13.204) 13.765 16.090 ( -15.915 -9.188 -6.118) 19.368 16.208 ( -11.179 -6.454 -13.076) 18.374 16.387 ( 0.422 0.244 15.114) 15.122 16.477 ( -11.347 -6.551 -11.002) 17.109 16.863 ( -0.233 -0.135 16.096) 16.099 16.880 ( -10.237 -5.910 -4.384) 12.607 16.967 ( 2.438 1.407 15.587) 15.839 16.999 ( -10.791 -6.230 -9.258) 15.523 17.255 ( 0.837 0.483 -16.375) 16.404 17.422 ( 9.117 5.264 -18.122) 20.959 17.982 ( -14.687 -8.479 12.277) 20.936 18.267 ( -12.835 -7.410 -16.698) 22.326 ======================= Grid point 113 (24/32) ======================= q-point: ( 0.43 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 17.387 10.039 -6.349) 21.057 2.099 ( 11.906 6.874 -0.397) 13.753 2.115 ( 18.110 10.456 1.130) 20.942 2.198 ( -10.542 -6.086 17.413) 21.246 2.292 ( 6.073 3.506 -5.264) 8.768 2.322 ( -11.191 -6.461 2.684) 13.198 2.668 ( -8.552 -4.938 -3.405) 10.446 2.746 ( -7.489 -4.324 5.715) 10.366 2.855 ( 0.387 0.223 0.525) 0.689 3.041 ( 0.154 0.089 -5.863) 5.866 3.182 ( -1.403 -0.810 17.375) 17.451 3.255 ( 0.071 0.041 -2.169) 2.171 3.335 ( 13.801 7.968 -3.096) 16.234 3.424 ( -2.501 -1.444 0.509) 2.932 3.601 ( 2.332 1.347 2.242) 3.504 3.716 ( -3.992 -2.305 -0.928) 4.702 3.849 ( 2.961 1.710 3.820) 5.127 3.888 ( 1.805 1.042 -1.658) 2.664 3.893 ( 3.401 1.963 2.183) 4.493 3.947 ( -5.559 -3.210 6.256) 8.964 3.971 ( 1.870 1.079 -4.199) 4.722 4.053 ( 0.883 0.510 -3.583) 3.725 4.073 ( -3.081 -1.779 -2.174) 4.169 4.108 ( 1.830 1.057 -1.853) 2.811 4.170 ( 2.073 1.197 -6.181) 6.628 4.206 ( -7.667 -4.426 3.027) 9.356 4.263 ( -0.492 -0.284 -4.037) 4.077 4.307 ( 0.778 0.449 -7.587) 7.640 4.470 ( 4.248 2.453 -1.445) 5.114 4.489 ( -1.537 -0.887 0.744) 1.924 4.611 ( 10.116 5.841 1.685) 11.802 4.638 ( 0.483 0.279 0.632) 0.842 4.708 ( 4.296 2.480 0.754) 5.018 4.740 ( 1.288 0.743 0.165) 1.496 4.793 ( 1.285 0.742 3.295) 3.614 4.905 ( -3.860 -2.228 5.628) 7.179 4.922 ( -6.049 -3.492 2.713) 7.493 5.009 ( -1.705 -0.985 -5.290) 5.644 5.119 ( -4.007 -2.313 2.855) 5.436 5.199 ( 3.477 2.007 -1.454) 4.270 5.258 ( 5.145 2.970 2.447) 6.425 5.286 ( -1.527 -0.882 2.051) 2.705 5.355 ( -7.726 -4.460 8.779) 12.516 5.361 ( -1.450 -0.837 5.344) 5.601 5.428 ( 2.098 1.211 -4.904) 5.469 5.442 ( 3.638 2.100 -6.727) 7.931 5.505 ( -11.808 -6.818 -3.141) 13.992 5.600 ( -8.327 -4.808 -1.720) 9.768 5.742 ( 2.966 1.713 1.442) 3.716 5.790 ( -1.434 -0.828 -3.396) 3.778 5.942 ( 1.760 1.016 -4.268) 4.728 5.976 ( -2.537 -1.465 1.137) 3.142 6.014 ( -2.200 -1.270 -1.351) 2.878 6.043 ( 3.084 1.780 1.272) 3.781 6.100 ( 0.270 0.156 1.020) 1.067 6.291 ( 1.183 0.683 -1.386) 1.946 6.348 ( 0.850 0.491 -5.525) 5.612 6.403 ( -0.950 -0.548 -3.214) 3.396 6.523 ( -5.398 -3.116 7.332) 9.624 6.588 ( -7.750 -4.474 2.586) 9.315 6.685 ( 2.139 1.235 -0.385) 2.500 6.692 ( -2.703 -1.560 -0.282) 3.134 6.765 ( 2.594 1.498 -3.039) 4.267 6.830 ( -5.389 -3.111 -4.087) 7.444 6.996 ( -3.966 -2.290 -0.222) 4.585 7.089 ( -10.549 -6.090 0.423) 12.188 7.123 ( -0.240 -0.139 7.131) 7.137 7.188 ( 1.745 1.008 10.369) 10.563 7.206 ( 2.442 1.410 0.041) 2.820 7.313 ( -5.214 -3.011 -3.279) 6.856 7.385 ( -1.556 -0.898 -3.766) 4.172 7.433 ( -2.270 -1.310 3.507) 4.378 7.459 ( 0.408 0.235 9.599) 9.610 7.552 ( -2.776 -1.603 2.449) 4.034 7.559 ( -9.024 -5.210 -5.458) 11.763 7.693 ( -1.252 -0.723 -6.710) 6.864 7.876 ( 3.258 1.881 0.797) 3.845 7.916 ( 3.309 1.910 -0.889) 3.923 7.991 ( -3.580 -2.067 -5.486) 6.869 8.014 ( 1.695 0.979 -2.853) 3.460 8.163 ( -0.545 -0.315 1.246) 1.396 8.171 ( 0.157 0.091 2.632) 2.639 8.277 ( -0.771 -0.445 -2.208) 2.381 8.346 ( 2.740 1.582 -0.512) 3.205 8.380 ( -1.353 -0.781 -0.715) 1.718 8.537 ( 1.615 0.932 -0.349) 1.897 8.722 ( 2.091 1.207 2.449) 3.439 8.725 ( -2.533 -1.462 4.222) 5.136 8.789 ( 6.129 3.539 3.265) 7.794 8.899 ( -1.784 -1.030 1.721) 2.684 8.901 ( 0.701 0.405 0.356) 0.884 8.936 ( -0.814 -0.470 -3.434) 3.560 9.041 ( 1.310 0.756 10.237) 10.348 9.086 ( 4.231 2.443 1.422) 5.089 9.259 ( -2.093 -1.208 -3.912) 4.598 9.269 ( -0.101 -0.059 -5.567) 5.568 9.320 ( 0.262 0.151 -0.552) 0.630 9.342 ( 0.408 0.236 -1.801) 1.862 9.474 ( 1.292 0.746 5.606) 5.801 9.551 ( 4.573 2.640 -2.590) 5.882 9.562 ( 0.217 0.125 -0.769) 0.809 9.607 ( -1.489 -0.860 3.359) 3.773 9.646 ( 1.165 0.673 -3.348) 3.608 9.695 ( -5.177 -2.989 1.520) 6.168 9.940 ( 3.244 1.873 -1.132) 3.913 9.984 ( -1.364 -0.788 -0.879) 1.804 10.144 ( 4.465 2.578 -0.584) 5.189 10.182 ( -2.236 -1.291 0.972) 2.759 10.255 ( -0.760 -0.439 -1.935) 2.125 10.350 ( -9.435 -5.447 7.374) 13.156 10.370 ( 1.410 0.814 1.254) 2.055 10.372 ( 3.698 2.135 -1.690) 4.593 10.444 ( -1.076 -0.621 -4.866) 5.022 10.479 ( -1.175 -0.679 -5.401) 5.569 10.557 ( -2.250 -1.299 1.397) 2.950 10.688 ( 0.840 0.485 -9.614) 9.662 10.925 ( 5.720 3.302 3.954) 7.698 11.015 ( 2.626 1.516 1.395) 3.338 11.130 ( 0.585 0.338 4.527) 4.577 11.179 ( -0.804 -0.464 4.638) 4.730 11.258 ( -2.790 -1.611 3.017) 4.414 11.276 ( 0.403 0.233 -2.158) 2.208 11.310 ( -2.640 -1.524 11.782) 12.170 11.436 ( -2.312 -1.335 0.269) 2.683 11.492 ( 0.932 0.538 -3.836) 3.984 11.570 ( 0.369 0.213 1.175) 1.250 11.578 ( -2.974 -1.717 -0.850) 3.538 11.713 ( -0.714 -0.412 -0.436) 0.932 11.717 ( -3.305 -1.908 -13.484) 14.014 11.850 ( -2.808 -1.621 -6.710) 7.453 11.969 ( 1.961 1.132 -2.086) 3.079 11.986 ( -0.826 -0.477 -0.203) 0.976 12.170 ( -4.041 -2.333 0.778) 4.730 12.189 ( 0.748 0.432 -3.436) 3.543 12.314 ( 4.111 2.373 3.502) 5.899 12.364 ( 3.033 1.751 0.179) 3.507 12.429 ( 2.675 1.544 -2.349) 3.881 12.461 ( 0.298 0.172 1.106) 1.158 12.541 ( 3.917 2.261 -1.613) 4.801 12.583 ( -1.472 -0.850 1.938) 2.578 12.627 ( 1.194 0.689 -0.865) 1.628 12.641 ( -3.786 -2.186 2.378) 4.976 12.898 ( 3.341 1.929 -3.466) 5.186 12.927 ( -2.838 -1.639 1.909) 3.792 12.967 ( 1.807 1.043 3.401) 3.990 13.036 ( 1.840 1.062 -2.938) 3.626 13.286 ( 3.446 1.990 -1.142) 4.140 13.335 ( -2.162 -1.248 0.560) 2.559 13.457 ( 8.970 5.179 8.715) 13.536 13.624 ( 10.009 5.779 2.577) 11.841 13.811 ( 3.457 1.996 4.100) 5.722 13.844 ( 3.252 1.878 -8.349) 9.155 13.962 ( -2.122 -1.225 -1.015) 2.653 13.981 ( -1.693 -0.977 -5.872) 6.189 14.262 ( 8.091 4.671 -2.556) 9.686 14.352 ( -6.486 -3.745 3.995) 8.488 14.650 ( 18.771 10.837 9.610) 23.709 14.686 ( 1.395 0.805 13.391) 13.488 14.706 ( 11.371 6.565 2.530) 13.372 14.843 ( 17.678 10.206 -1.004) 20.437 14.967 ( 12.164 7.023 -8.343) 16.337 15.115 ( 0.723 0.418 12.789) 12.816 15.320 ( -3.060 -1.766 6.728) 7.599 15.536 ( 7.069 4.081 -11.492) 14.096 15.557 ( -3.754 -2.168 -10.539) 11.395 15.629 ( -16.678 -9.629 9.899) 21.653 15.752 ( -7.967 -4.600 3.835) 9.967 15.840 ( 6.710 3.874 0.148) 7.750 15.926 ( -8.216 -4.743 -7.619) 12.167 16.133 ( 2.519 1.454 3.741) 4.739 16.194 ( -9.727 -5.616 -8.242) 13.932 16.337 ( -4.599 -2.655 9.876) 11.213 16.616 ( -9.208 -5.316 -3.424) 11.170 16.747 ( -8.563 -4.944 -5.274) 11.206 16.883 ( 0.130 0.075 13.154) 13.155 17.132 ( 9.261 5.347 14.715) 18.190 17.265 ( 0.113 0.065 -15.909) 15.910 17.588 ( 3.918 2.262 -18.100) 18.657 17.679 ( -11.374 -6.567 14.318) 19.429 18.024 ( -6.818 -3.936 -21.094) 22.516 ======================= Grid point 114 (25/32) ======================= q-point: (-0.43 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -20.457 -11.811 3.867) 23.936 1.891 ( -14.918 -8.613 18.207) 25.064 2.124 ( -17.828 -10.293 -0.005) 20.586 2.213 ( 1.694 0.978 -0.826) 2.123 2.436 ( 8.085 4.668 -3.754) 10.062 2.521 ( 8.971 5.179 -10.025) 14.416 2.630 ( 4.117 2.377 -0.545) 4.785 2.739 ( 17.111 9.879 3.034) 19.990 2.790 ( -3.215 -1.856 16.721) 17.128 2.986 ( -5.961 -3.441 -9.152) 11.451 3.185 ( -4.082 -2.357 1.374) 4.909 3.332 ( -10.615 -6.129 0.891) 12.290 3.362 ( 7.452 4.302 0.969) 8.659 3.573 ( 4.815 2.780 -5.211) 7.620 3.626 ( -3.623 -2.092 2.837) 5.055 3.667 ( 4.429 2.557 -3.471) 6.181 3.780 ( 6.086 3.514 6.126) 9.323 3.886 ( -0.836 -0.483 -1.840) 2.078 3.936 ( -0.026 -0.015 -5.428) 5.428 3.947 ( -5.489 -3.169 -1.916) 6.622 3.969 ( 1.333 0.770 6.477) 6.657 4.017 ( 0.903 0.521 -0.847) 1.343 4.020 ( -4.210 -2.431 5.985) 7.710 4.140 ( -4.916 -2.838 2.836) 6.346 4.169 ( 0.509 0.294 -7.761) 7.783 4.171 ( 2.011 1.161 -4.918) 5.439 4.306 ( -0.510 -0.295 -5.300) 5.333 4.327 ( 6.204 3.582 -6.849) 9.910 4.428 ( -2.246 -1.297 1.406) 2.950 4.525 ( 2.197 1.268 -2.861) 3.824 4.639 ( -3.146 -1.816 0.223) 3.640 4.648 ( -7.126 -4.114 2.640) 8.642 4.685 ( -4.569 -2.638 1.384) 5.454 4.702 ( -1.330 -0.768 2.999) 3.370 4.810 ( -2.817 -1.626 4.997) 5.962 4.843 ( -0.013 -0.007 4.588) 4.588 4.938 ( 2.612 1.508 -1.842) 3.533 5.058 ( 6.764 3.905 -4.087) 8.815 5.089 ( 1.662 0.960 8.705) 8.914 5.167 ( -2.341 -1.351 -3.024) 4.056 5.216 ( -5.447 -3.145 2.160) 6.650 5.235 ( -6.215 -3.588 9.592) 11.979 5.304 ( 4.257 2.458 6.908) 8.479 5.394 ( 3.695 2.133 -0.603) 4.309 5.432 ( 0.876 0.506 -2.757) 2.936 5.469 ( 6.248 3.607 0.854) 7.265 5.592 ( 6.272 3.621 -6.685) 9.856 5.605 ( 8.723 5.036 -8.541) 13.206 5.765 ( -0.990 -0.572 -3.674) 3.848 5.790 ( 1.088 0.628 3.388) 3.614 5.902 ( -1.740 -1.004 -1.939) 2.792 5.938 ( 0.753 0.435 1.357) 1.612 6.018 ( 1.425 0.823 -1.522) 2.241 6.077 ( 3.126 1.805 -2.653) 4.479 6.167 ( -5.775 -3.334 -1.944) 6.946 6.211 ( -0.021 -0.012 3.670) 3.670 6.313 ( -6.230 -3.597 -1.489) 7.346 6.332 ( -1.266 -0.731 3.354) 3.659 6.575 ( 11.962 6.906 3.663) 14.290 6.598 ( 3.711 2.142 2.264) 4.846 6.695 ( 3.328 1.921 -1.532) 4.137 6.709 ( 2.899 1.674 -3.553) 4.882 6.837 ( -1.391 -0.803 -4.928) 5.183 6.854 ( 3.735 2.156 -7.517) 8.666 6.949 ( 0.864 0.499 2.601) 2.786 6.998 ( 4.178 2.412 7.700) 9.086 7.106 ( 2.644 1.527 7.730) 8.311 7.239 ( -0.337 -0.194 -4.772) 4.788 7.278 ( 4.584 2.647 -1.136) 5.414 7.342 ( 5.831 3.366 0.992) 6.805 7.354 ( -4.099 -2.367 -0.703) 4.785 7.444 ( 5.054 2.918 11.258) 12.681 7.502 ( 3.433 1.982 -3.223) 5.109 7.504 ( 5.294 3.057 1.764) 6.363 7.551 ( 2.283 1.318 -1.309) 2.943 7.685 ( 2.810 1.622 -3.166) 4.533 7.899 ( -1.301 -0.751 4.012) 4.284 7.940 ( -0.571 -0.330 -2.892) 2.966 7.982 ( -4.121 -2.379 -8.974) 10.157 7.994 ( 2.417 1.395 -4.080) 4.943 8.141 ( -0.290 -0.167 3.455) 3.471 8.172 ( -0.564 -0.325 1.975) 2.079 8.258 ( -0.876 -0.506 0.375) 1.078 8.310 ( -1.919 -1.108 -1.052) 2.453 8.403 ( 0.498 0.287 5.502) 5.532 8.498 ( -4.473 -2.582 -3.089) 6.018 8.697 ( -1.537 -0.888 1.585) 2.379 8.744 ( -0.346 -0.200 3.433) 3.457 8.802 ( -5.768 -3.330 2.027) 6.962 8.911 ( 2.104 1.215 0.948) 2.608 8.932 ( 4.758 2.747 -1.182) 5.620 8.936 ( -0.154 -0.089 -2.651) 2.657 9.078 ( 1.636 0.944 10.639) 10.806 9.135 ( -1.133 -0.654 4.467) 4.654 9.180 ( -3.770 -2.176 -4.526) 6.279 9.264 ( -0.121 -0.070 -8.506) 8.507 9.320 ( -0.584 -0.337 -0.920) 1.141 9.366 ( 1.408 0.813 -2.814) 3.250 9.480 ( -1.104 -0.638 7.881) 7.984 9.546 ( -1.756 -1.014 -0.377) 2.062 9.558 ( -0.007 -0.004 -0.030) 0.031 9.616 ( -1.034 -0.597 -4.556) 4.710 9.663 ( 2.606 1.505 -0.964) 3.160 9.740 ( 7.032 4.060 -2.234) 8.422 9.910 ( -4.850 -2.800 -0.326) 5.610 9.984 ( 0.140 0.081 0.679) 0.698 10.086 ( -6.427 -3.710 7.030) 10.222 10.175 ( -2.578 -1.488 -1.594) 3.376 10.218 ( -1.176 -0.679 3.036) 3.326 10.300 ( 6.504 3.755 5.226) 9.149 10.388 ( -1.056 -0.610 -1.360) 1.827 10.393 ( -3.103 -1.791 -2.345) 4.282 10.451 ( -0.235 -0.136 -6.910) 6.915 10.475 ( 3.823 2.207 -3.243) 5.478 10.525 ( 1.189 0.687 3.269) 3.546 10.740 ( 2.383 1.376 -9.717) 10.099 10.973 ( -3.706 -2.140 0.190) 4.283 10.978 ( -1.668 -0.963 3.291) 3.813 11.173 ( -1.395 -0.805 8.646) 8.795 11.248 ( 0.852 0.492 8.268) 8.327 11.249 ( 9.764 5.637 -0.021) 11.275 11.272 ( -1.945 -1.123 -1.888) 2.934 11.289 ( 1.098 0.634 -3.939) 4.138 11.464 ( -1.499 -0.866 -0.616) 1.837 11.470 ( 5.298 3.059 6.935) 9.248 11.587 ( 2.475 1.429 -7.734) 8.246 11.597 ( 1.634 0.943 0.776) 2.040 11.631 ( -1.605 -0.927 -4.358) 4.736 11.707 ( 0.514 0.297 4.093) 4.136 11.795 ( -3.301 -1.906 -9.944) 10.650 11.948 ( -2.377 -1.373 0.146) 2.749 11.992 ( 0.175 0.101 -0.572) 0.606 12.133 ( 0.750 0.433 1.265) 1.533 12.227 ( 2.511 1.449 -3.573) 4.601 12.327 ( -1.690 -0.976 3.404) 3.924 12.367 ( -3.506 -2.024 -0.890) 4.145 12.425 ( -1.199 -0.692 -1.363) 1.943 12.486 ( -4.253 -2.455 -0.394) 4.926 12.517 ( -3.971 -2.293 0.382) 4.602 12.592 ( 4.405 2.543 0.721) 5.137 12.610 ( 2.101 1.213 -1.335) 2.769 12.676 ( 0.706 0.408 0.442) 0.927 12.858 ( -1.664 -0.961 0.829) 2.093 12.970 ( -0.226 -0.130 3.031) 3.042 12.989 ( 2.250 1.299 -4.274) 5.001 13.055 ( -0.486 -0.280 -4.249) 4.286 13.263 ( -3.677 -2.123 1.189) 4.410 13.345 ( 1.428 0.824 -0.331) 1.681 13.601 ( -9.636 -5.563 -3.774) 11.749 13.609 ( 3.682 2.126 6.721) 7.953 13.720 ( -13.867 -8.006 1.612) 16.093 13.886 ( 0.519 0.299 2.238) 2.317 13.886 ( -3.262 -1.883 -4.195) 5.638 13.984 ( 1.418 0.819 -2.891) 3.323 14.158 ( -9.074 -5.239 5.877) 12.014 14.389 ( 1.783 1.030 1.660) 2.645 14.594 ( -8.162 -4.712 8.270) 12.538 14.720 ( -12.401 -7.160 6.364) 15.669 14.823 ( -5.769 -3.331 5.573) 8.685 14.875 ( -21.773 -12.571 -10.302) 27.170 14.983 ( -7.644 -4.413 -4.027) 9.701 15.233 ( 11.596 6.695 3.864) 13.937 15.269 ( -10.433 -6.023 12.866) 17.625 15.340 ( 4.039 2.332 2.309) 5.204 15.616 ( 5.698 3.290 -18.547) 19.679 15.645 ( 6.050 3.493 13.211) 14.945 15.668 ( 7.367 4.253 4.882) 9.808 15.833 ( -14.531 -8.389 -3.445) 17.129 15.868 ( 2.546 1.470 0.497) 2.982 16.126 ( 10.744 6.203 -1.114) 12.456 16.257 ( 1.814 1.047 -2.201) 3.038 16.470 ( 18.111 10.457 -3.187) 21.155 16.608 ( 7.801 4.504 2.796) 9.432 16.672 ( 1.970 1.137 -6.681) 7.057 16.895 ( 0.739 0.427 14.230) 14.256 17.210 ( -5.131 -2.962 15.636) 16.721 17.249 ( -0.799 -0.461 -16.226) 16.252 17.512 ( -8.480 -4.896 -18.815) 21.210 17.647 ( 10.507 6.066 13.202) 17.930 18.068 ( 8.788 5.074 -21.014) 23.336 ======================= Grid point 115 (26/32) ======================= q-point: (-0.29 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -15.657 -9.039 10.591) 20.953 1.577 ( -13.073 -7.548 19.152) 24.386 1.769 ( -12.586 -7.266 -8.696) 16.936 2.029 ( -12.742 -7.357 -8.695) 17.090 2.398 ( -25.068 -14.473 16.292) 33.216 2.658 ( 2.196 1.268 -13.625) 13.859 2.671 ( 7.978 4.606 -0.511) 9.226 2.777 ( -9.749 -5.629 -10.646) 15.494 2.786 ( 7.067 4.080 3.267) 8.790 3.147 ( 17.456 10.078 1.575) 20.218 3.198 ( 4.669 2.695 -3.227) 6.283 3.314 ( 9.450 5.456 14.414) 18.079 3.454 ( -0.760 -0.439 0.853) 1.224 3.580 ( -0.568 -0.328 3.127) 3.195 3.609 ( 1.412 0.815 2.784) 3.226 3.762 ( -7.891 -4.556 -1.751) 9.279 3.780 ( 5.391 3.113 -12.348) 13.828 3.832 ( -5.294 -3.057 -2.913) 6.772 3.869 ( -3.531 -2.039 5.396) 6.763 3.933 ( 2.547 1.470 -2.214) 3.681 3.960 ( -5.016 -2.896 -0.831) 5.852 3.973 ( -1.997 -1.153 3.234) 3.972 4.023 ( -3.630 -2.096 0.356) 4.206 4.074 ( 4.629 2.673 1.045) 5.446 4.169 ( -1.945 -1.123 -1.362) 2.627 4.180 ( -0.732 -0.422 -1.821) 2.007 4.239 ( -4.413 -2.548 -4.643) 6.894 4.304 ( -2.998 -1.731 -1.171) 3.654 4.460 ( -5.366 -3.098 0.350) 6.206 4.502 ( -0.033 -0.019 1.908) 1.909 4.509 ( -7.547 -4.357 -4.101) 9.631 4.568 ( -1.750 -1.010 -3.301) 3.870 4.603 ( -3.587 -2.071 0.698) 4.201 4.655 ( -0.892 -0.515 -2.496) 2.700 4.778 ( 1.414 0.816 5.316) 5.561 4.858 ( 1.994 1.151 8.479) 8.786 4.925 ( -0.776 -0.448 -5.537) 5.609 5.088 ( 0.322 0.186 7.289) 7.298 5.152 ( -1.504 -0.868 4.807) 5.111 5.159 ( 1.363 0.787 -2.011) 2.554 5.211 ( 7.719 4.456 7.373) 11.567 5.283 ( 3.861 2.229 -6.115) 7.567 5.408 ( 3.156 1.822 4.185) 5.549 5.497 ( 5.440 3.141 2.729) 6.849 5.521 ( 0.777 0.449 -0.319) 0.952 5.556 ( 8.804 5.083 -6.565) 12.102 5.638 ( -1.984 -1.146 -0.776) 2.419 5.742 ( -1.161 -0.670 -6.121) 6.266 5.759 ( 5.803 3.350 -3.210) 7.430 5.811 ( 0.594 0.343 10.344) 10.366 5.933 ( 1.787 1.032 -5.029) 5.436 6.023 ( -1.494 -0.863 -6.571) 6.794 6.104 ( 11.044 6.376 4.347) 13.473 6.138 ( 8.257 4.767 -1.404) 9.637 6.163 ( 0.079 0.046 -1.146) 1.150 6.217 ( 4.671 2.697 0.439) 5.412 6.242 ( 3.284 1.896 1.630) 4.128 6.419 ( 8.834 5.100 3.546) 10.799 6.655 ( 1.012 0.584 5.387) 5.513 6.749 ( 3.075 1.775 -0.855) 3.652 6.783 ( 0.832 0.480 -8.184) 8.240 6.834 ( 1.176 0.679 -0.077) 1.361 6.921 ( 13.098 7.562 3.427) 15.507 6.949 ( 6.850 3.955 9.472) 12.341 6.983 ( 5.502 3.176 -0.408) 6.366 7.091 ( 6.496 3.751 -5.516) 9.311 7.225 ( -0.847 -0.489 4.336) 4.445 7.304 ( 8.265 4.772 4.669) 10.624 7.312 ( 1.038 0.599 0.702) 1.389 7.375 ( 2.661 1.536 6.807) 7.469 7.451 ( 1.854 1.070 -7.710) 8.001 7.503 ( 4.350 2.512 12.511) 13.482 7.551 ( 1.167 0.674 -6.221) 6.365 7.590 ( 5.324 3.074 -4.316) 7.511 7.758 ( 11.337 6.545 -1.638) 13.193 7.790 ( 0.035 0.020 -5.161) 5.161 7.859 ( -1.506 -0.869 3.891) 4.262 7.893 ( -0.129 -0.075 -4.789) 4.791 7.947 ( 0.834 0.481 -2.121) 2.329 8.068 ( 5.144 2.970 -2.725) 6.535 8.135 ( -2.451 -1.415 -2.416) 3.721 8.161 ( 1.426 0.823 -1.508) 2.233 8.264 ( 1.861 1.075 2.060) 2.977 8.300 ( 1.165 0.673 4.363) 4.565 8.380 ( -5.816 -3.358 -2.989) 7.351 8.421 ( 1.380 0.797 2.953) 3.355 8.539 ( -11.816 -6.822 2.823) 13.933 8.697 ( -4.057 -2.342 2.522) 5.321 8.728 ( -2.432 -1.404 -0.196) 2.815 8.896 ( -3.684 -2.127 -0.225) 4.260 8.932 ( 0.535 0.309 -0.523) 0.810 9.031 ( 2.322 1.341 -1.279) 2.971 9.109 ( 1.899 1.096 4.705) 5.191 9.112 ( -2.180 -1.259 -6.952) 7.394 9.116 ( 1.450 0.837 9.561) 9.707 9.261 ( -0.077 -0.044 -8.096) 8.096 9.298 ( -1.111 -0.641 0.993) 1.622 9.363 ( -1.693 -0.978 -0.402) 1.996 9.430 ( -3.066 -1.770 1.059) 3.695 9.501 ( -2.701 -1.559 -2.658) 4.098 9.572 ( -3.005 -1.735 -5.428) 6.442 9.591 ( 2.304 1.330 -4.097) 4.885 9.764 ( 5.545 3.201 -1.374) 6.548 9.804 ( -3.254 -1.879 -1.398) 4.009 9.881 ( 2.358 1.362 1.664) 3.191 9.939 ( 0.273 0.158 -1.844) 1.871 10.017 ( -0.975 -0.563 5.696) 5.806 10.169 ( 1.572 0.908 3.496) 3.939 10.188 ( -2.838 -1.639 2.596) 4.181 10.274 ( -2.656 -1.534 -0.232) 3.076 10.379 ( 1.060 0.612 1.424) 1.878 10.444 ( 5.167 2.983 5.814) 8.330 10.473 ( 1.113 0.642 -3.836) 4.045 10.553 ( 2.798 1.615 -1.630) 3.618 10.609 ( 5.273 3.044 2.213) 6.478 10.740 ( -3.099 -1.789 -7.477) 8.289 10.892 ( -3.948 -2.279 -2.360) 5.134 10.893 ( -5.121 -2.957 -1.073) 6.010 11.164 ( 0.629 0.363 13.495) 13.514 11.230 ( -0.117 -0.068 2.249) 2.253 11.235 ( 0.725 0.419 -0.309) 0.893 11.373 ( 4.829 2.788 -5.386) 7.752 11.452 ( 4.292 2.478 1.414) 5.154 11.498 ( 6.086 3.514 -2.390) 7.423 11.576 ( -0.671 -0.387 -3.567) 3.651 11.593 ( 3.300 1.905 4.499) 5.896 11.643 ( 3.943 2.277 2.246) 5.077 11.695 ( 1.406 0.812 -10.368) 10.494 11.732 ( 1.200 0.693 -1.931) 2.377 11.751 ( 3.326 1.920 8.336) 9.178 11.902 ( -1.300 -0.751 0.214) 1.517 12.002 ( 0.555 0.321 -0.057) 0.644 12.161 ( 0.902 0.521 0.895) 1.373 12.254 ( -2.927 -1.690 -3.480) 4.851 12.266 ( -4.145 -2.393 1.149) 4.923 12.268 ( -3.976 -2.296 -1.431) 4.809 12.357 ( -5.207 -3.007 1.240) 6.140 12.406 ( 0.107 0.062 -0.981) 0.988 12.418 ( -4.627 -2.671 0.996) 5.435 12.610 ( -2.596 -1.499 0.590) 3.055 12.647 ( -0.262 -0.151 -0.886) 0.936 12.668 ( 0.328 0.189 -0.921) 0.996 12.871 ( 0.312 0.180 1.442) 1.487 12.928 ( -2.675 -1.545 2.464) 3.952 13.004 ( -3.975 -2.295 -4.415) 6.369 13.008 ( -1.343 -0.775 -3.870) 4.169 13.207 ( -1.220 -0.705 0.262) 1.433 13.334 ( -2.343 -1.353 0.431) 2.739 13.337 ( -12.058 -6.962 -1.099) 13.967 13.431 ( -9.375 -5.412 -1.686) 10.955 13.601 ( -4.198 -2.424 4.453) 6.582 13.719 ( -11.879 -6.859 -2.627) 13.966 13.860 ( -6.744 -3.894 4.589) 9.039 13.924 ( -5.737 -3.312 -2.876) 7.222 14.038 ( -0.044 -0.026 2.347) 2.348 14.220 ( -16.299 -9.410 3.737) 19.188 14.286 ( -24.212 -13.979 -1.911) 28.023 14.374 ( -16.015 -9.246 5.439) 19.275 14.411 ( -14.248 -8.226 -1.346) 16.508 14.599 ( -5.409 -3.123 -4.201) 7.527 14.789 ( -10.987 -6.343 -9.534) 15.870 14.983 ( -12.285 -7.093 7.204) 15.910 15.255 ( -10.116 -5.841 -1.736) 11.810 15.317 ( -10.330 -5.964 -0.879) 11.961 15.727 ( 9.230 5.329 14.008) 17.602 15.745 ( 8.749 5.051 17.615) 20.307 15.870 ( 13.859 8.002 -18.439) 24.415 15.993 ( 14.385 8.305 11.572) 20.244 16.028 ( 10.558 6.096 7.907) 14.531 16.303 ( 6.123 3.535 0.418) 7.082 16.403 ( 8.160 4.711 -6.957) 11.712 16.734 ( 2.963 1.711 -14.419) 14.819 16.829 ( 8.662 5.001 7.465) 12.481 16.843 ( 9.679 5.588 4.202) 11.941 16.921 ( 4.954 2.860 6.139) 8.392 17.072 ( -3.655 -2.110 10.585) 11.395 17.231 ( -1.143 -0.660 -16.762) 16.814 17.341 ( -5.762 -3.327 -17.542) 18.762 17.965 ( 15.704 9.067 11.646) 21.552 18.300 ( 11.288 6.517 -17.339) 21.692 ======================= Grid point 116 (27/32) ======================= q-point: (-0.14 0.00 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -6.464 -3.732 21.181) 22.458 1.328 ( -10.318 -5.957 21.057) 24.194 1.616 ( -1.533 -0.885 -20.479) 20.555 1.735 ( -13.643 -7.877 0.760) 15.772 1.874 ( -17.724 -10.233 8.818) 22.285 2.427 ( -13.022 -7.518 -28.528) 32.248 2.809 ( 6.341 3.661 0.757) 7.361 2.821 ( 5.026 2.902 -0.710) 5.847 3.030 ( 11.159 6.443 5.302) 13.934 3.285 ( 5.055 2.919 -8.056) 9.949 3.366 ( -2.872 -1.658 9.485) 10.048 3.471 ( 6.654 3.842 -4.787) 9.052 3.524 ( 4.528 2.614 11.035) 12.211 3.597 ( -3.444 -1.988 4.656) 6.123 3.608 ( 3.745 2.162 11.694) 12.468 3.640 ( -2.777 -1.603 -1.358) 3.482 3.688 ( -6.391 -3.690 -5.132) 8.989 3.764 ( -1.046 -0.604 6.957) 7.061 3.841 ( -0.887 -0.512 -4.147) 4.272 3.884 ( -3.927 -2.267 3.865) 5.958 3.925 ( -0.742 -0.428 -2.344) 2.495 3.952 ( -1.651 -0.953 -1.352) 2.337 3.969 ( -0.158 -0.091 -5.847) 5.850 4.097 ( -4.704 -2.716 -4.861) 7.289 4.135 ( 0.132 0.076 -1.389) 1.397 4.164 ( 0.661 0.382 -0.788) 1.097 4.184 ( 2.325 1.343 -1.448) 3.050 4.255 ( -2.571 -1.484 0.535) 3.016 4.339 ( -6.916 -3.993 -4.160) 9.005 4.356 ( -2.778 -1.604 -4.687) 5.680 4.470 ( -3.660 -2.113 5.527) 6.958 4.492 ( -4.287 -2.475 2.941) 5.758 4.540 ( -0.415 -0.240 -1.001) 1.110 4.622 ( -2.475 -1.429 -7.357) 7.893 4.876 ( 6.136 3.543 -2.575) 7.539 4.912 ( 2.354 1.359 5.934) 6.527 4.930 ( 0.606 0.350 -5.928) 5.969 5.088 ( -1.044 -0.603 7.063) 7.165 5.123 ( -3.065 -1.770 -4.104) 5.419 5.187 ( 0.767 0.443 -2.694) 2.836 5.285 ( -0.567 -0.327 1.747) 1.865 5.414 ( -2.118 -1.223 -5.892) 6.379 5.423 ( 9.544 5.510 9.868) 14.793 5.519 ( 2.813 1.624 8.795) 9.375 5.632 ( 1.656 0.956 14.227) 14.355 5.696 ( 4.642 2.680 -7.819) 9.480 5.697 ( 8.389 4.843 -1.386) 9.785 5.758 ( -4.588 -2.649 13.197) 14.221 5.812 ( 7.687 4.438 -8.024) 11.965 5.844 ( 1.381 0.797 1.439) 2.148 5.977 ( 1.450 0.837 -6.419) 6.633 6.005 ( -1.400 -0.808 -8.352) 8.507 6.189 ( 1.795 1.036 1.563) 2.596 6.221 ( 3.878 2.239 -4.404) 6.281 6.274 ( 3.573 2.063 -0.104) 4.127 6.330 ( 4.955 2.861 -3.869) 6.907 6.535 ( 13.249 7.649 6.034) 16.446 6.601 ( 2.011 1.161 9.709) 9.982 6.668 ( 3.278 1.893 10.447) 11.112 6.762 ( -1.053 -0.608 -4.052) 4.230 6.811 ( 1.332 0.769 -8.210) 8.353 6.869 ( 7.797 4.502 -4.892) 10.247 7.080 ( 3.008 1.736 9.469) 10.086 7.097 ( 5.410 3.124 9.676) 11.518 7.202 ( 7.553 4.361 7.368) 11.417 7.230 ( 2.295 1.325 -2.946) 3.963 7.314 ( -3.215 -1.856 -3.082) 4.825 7.322 ( 6.299 3.637 1.577) 7.442 7.369 ( 6.711 3.875 -3.405) 8.464 7.375 ( -1.624 -0.938 14.386) 14.508 7.483 ( 2.799 1.616 -11.521) 11.966 7.553 ( 2.019 1.165 -5.958) 6.398 7.656 ( 6.602 3.812 3.373) 8.337 7.717 ( -2.189 -1.264 -6.650) 7.114 7.736 ( -0.582 -0.336 -4.456) 4.506 7.823 ( 2.995 1.729 6.323) 7.206 7.949 ( 1.583 0.914 -2.943) 3.464 7.974 ( 6.855 3.958 1.788) 8.115 8.042 ( 9.762 5.636 -5.611) 12.592 8.072 ( -4.018 -2.320 -6.920) 8.332 8.139 ( 1.625 0.938 0.290) 1.899 8.188 ( 0.184 0.106 0.475) 0.520 8.250 ( -7.173 -4.141 3.011) 8.813 8.292 ( -5.820 -3.360 4.004) 7.822 8.325 ( 2.649 1.530 -3.121) 4.370 8.348 ( 1.882 1.087 1.763) 2.799 8.421 ( -1.493 -0.862 -4.831) 5.129 8.548 ( -9.505 -5.488 3.227) 11.440 8.644 ( -5.083 -2.935 -2.069) 6.224 8.740 ( -10.230 -5.906 -0.278) 11.816 8.974 ( 3.349 1.934 2.700) 4.717 9.087 ( 2.339 1.351 1.520) 3.099 9.092 ( 1.211 0.699 -4.909) 5.104 9.147 ( 1.014 0.585 6.391) 6.497 9.176 ( 2.201 1.271 -0.355) 2.566 9.262 ( -0.580 -0.335 -1.438) 1.586 9.283 ( -0.265 -0.153 3.014) 3.030 9.313 ( -1.806 -1.043 1.641) 2.654 9.385 ( -0.346 -0.200 -6.208) 6.220 9.436 ( -2.694 -1.555 -4.709) 5.643 9.471 ( -5.696 -3.288 -0.958) 6.646 9.581 ( -3.042 -1.757 -9.637) 10.257 9.813 ( 1.975 1.140 1.125) 2.543 9.843 ( -1.265 -0.730 -1.158) 1.864 9.869 ( -0.095 -0.055 2.260) 2.263 9.974 ( 5.097 2.943 -6.593) 8.838 10.021 ( 0.885 0.511 6.156) 6.240 10.218 ( 3.195 1.845 -2.494) 4.453 10.251 ( 8.703 5.025 1.633) 10.181 10.315 ( 4.913 2.836 8.712) 10.396 10.398 ( -0.623 -0.360 1.817) 1.954 10.496 ( 0.836 0.483 -1.660) 1.920 10.502 ( -0.982 -0.567 4.128) 4.281 10.561 ( -1.866 -1.077 -0.316) 2.177 10.665 ( -0.996 -0.575 0.370) 1.208 10.695 ( 1.567 0.905 0.274) 1.830 10.802 ( -4.058 -2.343 -3.017) 5.573 10.804 ( -2.686 -1.551 -4.721) 5.648 11.169 ( 0.024 0.014 12.430) 12.430 11.285 ( 4.336 2.503 5.289) 7.283 11.305 ( 4.398 2.539 1.235) 5.226 11.456 ( -1.970 -1.137 -1.172) 2.558 11.469 ( 3.020 1.744 -6.803) 7.645 11.525 ( -1.765 -1.019 -3.027) 3.649 11.647 ( 3.313 1.913 1.637) 4.161 11.652 ( 4.225 2.439 -1.296) 5.048 11.719 ( 2.326 1.343 -1.575) 3.113 11.735 ( 3.422 1.976 -8.794) 9.641 11.824 ( 4.908 2.833 1.580) 5.883 11.835 ( 3.770 2.177 7.868) 8.992 11.906 ( 1.456 0.841 -0.268) 1.703 11.972 ( -3.488 -2.014 3.290) 5.200 12.103 ( -7.665 -4.425 -2.416) 9.174 12.110 ( -9.144 -5.279 -4.625) 11.527 12.130 ( -6.291 -3.632 -1.625) 7.444 12.161 ( -4.601 -2.656 -3.086) 6.144 12.360 ( 1.110 0.641 3.764) 3.976 12.367 ( 5.286 3.052 -0.487) 6.123 12.442 ( 1.410 0.814 6.098) 6.312 12.584 ( 0.227 0.131 2.378) 2.392 12.639 ( -1.439 -0.831 -3.264) 3.662 12.645 ( -0.665 -0.384 0.470) 0.901 12.825 ( -2.905 -1.677 1.867) 3.839 12.867 ( -2.864 -1.654 2.523) 4.159 12.873 ( -7.026 -4.057 -2.739) 8.563 12.929 ( -5.146 -2.971 -1.038) 6.033 13.159 ( -2.043 -1.180 1.814) 2.976 13.213 ( -1.883 -1.087 -0.891) 2.350 13.255 ( -4.871 -2.812 -0.707) 5.669 13.265 ( -7.243 -4.182 -0.344) 8.370 13.470 ( -6.224 -3.593 2.754) 7.696 13.531 ( -0.580 -0.335 -1.638) 1.769 13.677 ( -7.727 -4.461 2.603) 9.295 13.765 ( -10.295 -5.944 -0.360) 11.894 13.806 ( -15.156 -8.750 -2.029) 17.618 13.842 ( -14.036 -8.104 -3.553) 16.592 13.973 ( -16.898 -9.756 2.671) 19.694 14.006 ( -3.918 -2.262 -4.580) 6.438 14.369 ( 6.901 3.984 -2.673) 8.405 14.555 ( -8.390 -4.844 -8.164) 12.669 14.556 ( -1.348 -0.779 -0.817) 1.758 14.735 ( -9.918 -5.726 -0.975) 11.494 15.036 ( -8.475 -4.893 0.032) 9.786 15.073 ( -9.173 -5.296 -0.767) 10.619 15.947 ( 8.988 5.189 19.093) 21.732 15.956 ( 9.447 5.454 20.434) 23.163 16.124 ( 7.454 4.304 3.428) 9.265 16.234 ( 5.257 3.035 16.673) 17.744 16.294 ( 13.539 7.817 -7.411) 17.301 16.353 ( 0.008 0.005 5.156) 5.156 16.555 ( 4.360 2.517 -15.811) 16.593 16.701 ( -5.225 -3.016 -19.052) 19.984 16.873 ( -0.955 -0.551 16.607) 16.643 16.881 ( 0.222 0.128 15.625) 15.627 17.138 ( 7.911 4.567 -8.199) 12.275 17.142 ( 6.035 3.484 -3.887) 7.979 17.205 ( -0.940 -0.543 -15.077) 15.116 17.268 ( -1.697 -0.980 -14.074) 14.210 18.262 ( 10.440 6.027 11.385) 16.581 18.525 ( 8.498 4.906 -12.738) 16.079 ======================= Grid point 118 (28/32) ======================= q-point: ( 0.14 0.14 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 13.296 14.084 11.220) 22.384 1.520 ( 9.978 10.693 10.318) 17.899 1.749 ( 9.028 9.577 -7.541) 15.169 1.942 ( 7.151 14.350 -10.619) 19.231 2.182 ( 7.672 26.067 18.051) 32.622 2.647 ( 6.926 8.413 -19.785) 22.588 2.702 ( -4.188 -4.212 2.342) 6.385 2.760 ( 0.795 0.524 -2.789) 2.947 2.952 ( 5.618 -14.129 2.740) 15.450 3.053 ( -17.998 -3.700 -6.276) 19.416 3.289 ( -7.716 -4.427 7.218) 11.456 3.385 ( -2.944 -8.192 2.335) 9.013 3.409 ( -1.570 -13.157 11.619) 17.623 3.576 ( -2.876 -0.849 4.063) 5.050 3.611 ( -0.576 1.772 2.551) 3.159 3.716 ( 2.730 -1.865 -4.685) 5.734 3.744 ( -5.025 2.793 -0.052) 5.749 3.803 ( 0.701 5.427 1.882) 5.786 3.830 ( -0.354 3.100 1.393) 3.417 3.928 ( 3.043 2.881 -1.810) 4.565 3.943 ( 0.946 4.549 -2.702) 5.375 4.003 ( 4.851 0.306 -5.287) 7.182 4.053 ( 5.282 1.174 2.571) 5.990 4.093 ( -2.489 2.639 -1.413) 3.893 4.142 ( 1.868 2.732 -2.132) 3.936 4.172 ( 2.194 1.011 -4.179) 4.826 4.253 ( 5.857 0.501 3.297) 6.739 4.348 ( 1.311 4.316 -2.722) 5.268 4.362 ( -2.847 2.716 -1.854) 4.349 4.395 ( 1.955 7.399 -3.688) 8.495 4.525 ( 1.039 2.274 4.961) 5.556 4.552 ( 0.898 3.782 0.182) 3.891 4.579 ( 2.843 4.503 -0.026) 5.326 4.656 ( 1.538 2.133 -5.582) 6.170 4.809 ( -0.758 -5.032 0.964) 5.179 4.906 ( 2.946 -2.107 1.449) 3.901 4.946 ( 2.096 -1.709 1.355) 3.025 5.080 ( -1.199 1.033 6.606) 6.793 5.098 ( -3.545 1.411 -3.324) 5.060 5.201 ( 2.302 -3.529 -1.499) 4.472 5.295 ( -0.334 -1.867 -0.289) 1.918 5.358 ( 3.524 -9.551 8.038) 12.971 5.410 ( -2.934 -2.081 -4.218) 5.544 5.473 ( -3.551 0.227 7.371) 8.185 5.519 ( -8.668 -4.001 -6.668) 11.645 5.575 ( -4.564 -2.369 4.767) 7.012 5.630 ( 1.883 -1.880 -5.080) 5.735 5.718 ( -2.703 -2.819 4.162) 5.708 5.802 ( 0.765 0.095 3.433) 3.518 5.842 ( -0.085 -3.595 1.104) 3.761 5.945 ( -4.633 -2.008 -6.604) 8.313 6.003 ( 0.831 -2.802 -4.790) 5.611 6.107 ( -4.804 -6.542 0.807) 8.157 6.161 ( -3.576 -3.653 -2.556) 5.715 6.208 ( -4.048 -4.641 0.184) 6.160 6.255 ( -1.398 -6.032 -2.269) 6.594 6.347 ( 0.436 -11.084 5.107) 12.212 6.480 ( -5.914 -8.503 -4.615) 11.339 6.647 ( -3.075 0.625 6.645) 7.349 6.678 ( -2.959 0.682 5.252) 6.067 6.773 ( -3.120 -6.719 -1.921) 7.653 6.833 ( -1.365 -2.199 -5.254) 5.857 6.951 ( -4.499 -5.086 8.419) 10.816 7.048 ( -4.805 -8.155 2.928) 9.908 7.081 ( -4.034 -6.790 4.562) 9.121 7.142 ( -0.674 -8.842 -1.958) 9.081 7.230 ( 2.145 -3.929 0.969) 4.580 7.261 ( -3.478 -6.879 1.449) 7.843 7.377 ( -2.441 0.184 -2.933) 3.820 7.408 ( -6.341 -3.990 -6.345) 9.818 7.482 ( 5.097 -1.108 8.816) 10.244 7.530 ( 3.577 3.285 2.918) 5.666 7.615 ( -6.010 -3.265 -0.772) 6.882 7.638 ( -5.634 -1.150 -4.396) 7.238 7.725 ( 5.137 -8.310 -0.570) 9.786 7.778 ( -3.548 -7.301 3.376) 8.791 7.853 ( -0.851 2.888 1.720) 3.467 7.913 ( -10.526 0.943 -2.743) 10.918 7.927 ( -5.145 -0.825 -3.712) 6.398 8.057 ( 9.627 -8.181 -3.721) 13.170 8.080 ( -6.981 -2.298 -2.768) 7.853 8.133 ( 0.271 -0.630 -4.771) 4.820 8.310 ( 1.297 0.592 5.617) 5.795 8.360 ( -1.397 5.516 2.633) 6.270 8.392 ( -1.260 7.099 -0.125) 7.211 8.472 ( 10.343 4.643 -2.015) 11.515 8.516 ( 11.263 -4.831 0.912) 12.289 8.574 ( -3.859 7.875 -2.822) 9.213 8.771 ( 4.353 2.845 3.156) 6.083 8.828 ( -0.003 5.289 0.735) 5.340 8.936 ( -0.716 0.223 1.568) 1.739 9.006 ( -4.095 -4.142 -1.119) 5.931 9.068 ( -4.379 -2.620 3.432) 6.150 9.119 ( -2.462 -1.266 5.114) 5.815 9.150 ( 3.730 -0.375 -3.552) 5.164 9.265 ( 0.332 0.357 -5.580) 5.602 9.309 ( 2.035 0.540 2.118) 2.986 9.356 ( -0.126 2.182 -1.228) 2.507 9.384 ( 1.201 2.992 3.102) 4.474 9.462 ( -0.382 4.062 -3.796) 5.573 9.576 ( 2.309 2.890 -5.860) 6.930 9.593 ( 0.042 1.342 -6.138) 6.283 9.777 ( -4.722 -1.766 0.873) 5.116 9.800 ( 0.085 -3.475 -1.852) 3.939 9.892 ( 1.097 -4.629 3.624) 5.981 9.932 ( -2.345 4.474 -0.255) 5.057 10.031 ( 4.907 -2.641 0.969) 5.656 10.098 ( -1.821 0.884 -4.325) 4.775 10.267 ( 1.975 -0.424 6.017) 6.347 10.311 ( 3.687 -1.823 0.435) 4.136 10.427 ( -4.142 -1.537 1.390) 4.631 10.440 ( 2.659 -1.407 2.083) 3.659 10.480 ( -3.354 1.120 2.201) 4.165 10.549 ( 0.114 -1.521 -1.916) 2.449 10.649 ( -2.306 -4.808 1.312) 5.491 10.737 ( 2.988 0.460 -5.503) 6.279 10.825 ( -1.403 5.033 0.590) 5.258 10.875 ( 2.062 5.966 -2.820) 6.914 11.151 ( -1.171 -2.796 10.943) 11.355 11.230 ( -1.470 0.882 3.396) 3.804 11.289 ( 2.056 -4.511 3.621) 6.139 11.362 ( -6.147 -1.293 -5.297) 8.217 11.468 ( -0.930 -1.460 -2.230) 2.823 11.516 ( -3.289 -4.714 2.885) 6.432 11.552 ( -2.247 -7.287 -1.676) 7.808 11.594 ( -4.133 -0.101 -5.241) 6.675 11.651 ( 1.551 -3.060 -0.629) 3.488 11.695 ( -3.860 -0.251 -4.125) 5.655 11.799 ( 1.109 -3.339 5.939) 6.903 11.876 ( -0.153 0.112 -1.737) 1.747 11.887 ( 7.586 -6.744 3.462) 10.725 11.996 ( -1.852 1.184 -3.480) 4.116 12.140 ( 0.140 1.495 0.238) 1.521 12.150 ( -2.502 3.392 -0.945) 4.319 12.213 ( 2.437 5.959 1.134) 6.537 12.267 ( 2.650 6.166 -3.418) 7.532 12.340 ( 2.143 1.249 1.443) 2.869 12.392 ( 2.822 2.674 -3.032) 4.930 12.502 ( 6.266 -3.316 5.042) 8.699 12.587 ( -5.518 -0.466 -0.802) 5.596 12.631 ( 1.375 3.039 -0.005) 3.335 12.658 ( 1.101 2.836 -1.631) 3.452 12.839 ( 0.913 -0.387 2.152) 2.369 12.889 ( -3.439 0.799 -3.112) 4.706 12.941 ( 2.638 4.211 4.030) 6.398 13.029 ( 2.027 8.977 -3.478) 9.838 13.210 ( 4.517 2.773 2.137) 5.715 13.224 ( 0.752 8.758 1.096) 8.859 13.380 ( 1.698 9.285 0.454) 9.450 13.394 ( 2.776 7.792 -0.695) 8.300 13.574 ( 8.558 3.437 1.159) 9.295 13.635 ( 4.794 8.800 -3.805) 10.719 13.824 ( 4.880 9.013 3.285) 10.763 13.918 ( 7.364 5.434 -4.398) 10.154 13.997 ( 7.106 11.932 2.801) 14.167 14.071 ( 5.201 18.499 -0.730) 19.230 14.188 ( 8.242 19.444 5.957) 21.942 14.313 ( 15.064 9.627 -2.613) 18.067 14.393 ( 8.773 5.346 0.196) 10.276 14.486 ( -0.971 10.062 -7.140) 12.376 14.763 ( -3.932 12.323 4.033) 13.549 14.917 ( 16.470 8.446 -9.137) 20.642 15.193 ( 4.817 9.683 2.441) 11.088 15.241 ( 6.653 13.338 -1.716) 15.004 15.606 ( -15.326 -10.900 18.296) 26.238 15.957 ( -0.791 -12.950 3.196) 13.362 16.014 ( -0.473 -12.554 3.623) 13.074 16.076 ( -6.634 -12.445 5.224) 15.039 16.147 ( -1.485 -13.088 6.805) 14.826 16.314 ( -3.857 -3.214 4.535) 6.765 16.411 ( -7.901 -5.887 -6.820) 11.983 16.631 ( -11.313 -0.514 -15.033) 18.822 16.869 ( -1.584 -2.493 13.672) 13.988 16.891 ( 1.192 -1.291 11.907) 12.036 17.007 ( -3.693 -11.257 -5.433) 13.033 17.029 ( -5.028 -4.769 2.600) 7.402 17.261 ( 1.150 0.882 -17.069) 17.130 17.328 ( 6.865 5.573 -16.892) 19.067 18.060 ( -7.990 -14.915 11.666) 20.552 18.352 ( -7.849 -11.389 -15.705) 20.928 ======================= Grid point 119 (29/32) ======================= q-point: ( 0.29 0.14 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 16.653 17.147 2.175) 24.002 1.862 ( 19.004 12.065 -0.584) 22.518 2.041 ( 12.379 13.291 5.123) 18.871 2.193 ( 6.393 8.901 -3.214) 11.421 2.368 ( -7.269 5.530 6.951) 11.478 2.580 ( -17.534 -1.356 -0.564) 17.595 2.728 ( 0.962 2.553 -1.884) 3.316 2.751 ( -2.576 2.499 2.176) 4.197 2.886 ( 7.027 -10.632 3.699) 13.270 2.958 ( -3.413 -5.490 -2.543) 6.946 3.161 ( 1.988 4.945 -1.900) 5.658 3.233 ( -3.065 -8.508 9.039) 12.786 3.298 ( 1.991 -14.145 1.486) 14.362 3.369 ( -7.746 0.691 -1.038) 7.845 3.633 ( -0.869 6.355 1.103) 6.508 3.727 ( 5.342 -1.041 -3.712) 6.588 3.789 ( -2.738 0.201 2.344) 3.610 3.852 ( 5.308 -1.577 -0.442) 5.555 3.885 ( 0.397 5.609 5.606) 7.940 3.981 ( 0.223 3.703 -1.724) 4.091 3.996 ( -0.712 5.251 -1.275) 5.450 4.051 ( 0.837 -4.791 -4.429) 6.578 4.079 ( -0.977 -2.102 -0.488) 2.369 4.098 ( -0.671 -1.289 -1.852) 2.354 4.147 ( -3.295 -1.819 -4.119) 5.580 4.189 ( 4.731 -3.416 -4.504) 7.372 4.343 ( -3.187 5.093 1.314) 6.150 4.405 ( 0.432 3.662 -0.554) 3.729 4.424 ( 3.370 11.086 -1.507) 11.684 4.498 ( 6.416 4.312 2.541) 8.138 4.540 ( -1.502 3.145 3.299) 4.799 4.609 ( -0.269 -3.441 -0.556) 3.496 4.655 ( 5.698 4.991 -2.398) 7.945 4.709 ( 2.824 -0.107 -2.414) 3.717 4.801 ( 1.610 3.215 5.833) 6.852 4.913 ( -1.763 -4.305 2.937) 5.501 4.955 ( 1.862 -1.430 7.519) 7.877 5.039 ( -4.304 0.372 -6.989) 8.216 5.135 ( 4.749 1.879 1.451) 5.309 5.160 ( -2.589 -4.348 -0.579) 5.094 5.219 ( -2.377 -5.441 1.527) 6.131 5.319 ( -2.743 -1.823 3.808) 5.035 5.342 ( 2.936 -3.227 -5.532) 7.046 5.404 ( -4.212 -1.453 5.481) 7.063 5.436 ( -0.625 1.326 -2.990) 3.330 5.475 ( -5.201 -0.448 6.652) 8.456 5.598 ( -6.344 -5.481 -1.930) 8.603 5.675 ( -7.008 -4.522 -2.402) 8.680 5.733 ( -0.402 0.103 -2.218) 2.257 5.797 ( -1.455 -4.060 -3.929) 5.835 5.890 ( 5.238 -6.593 1.599) 8.571 5.949 ( -2.108 -0.867 -5.411) 5.871 5.986 ( -1.971 -1.648 0.932) 2.733 6.050 ( -3.591 -9.130 -1.635) 9.946 6.108 ( -2.862 0.620 1.023) 3.102 6.206 ( 5.235 -2.715 0.144) 5.899 6.363 ( 1.504 -0.557 -2.129) 2.665 6.418 ( -0.196 3.371 -6.083) 6.957 6.561 ( -5.577 -7.247 3.617) 9.834 6.601 ( -0.656 -7.366 2.417) 7.780 6.697 ( -0.811 1.858 3.386) 3.946 6.750 ( -5.548 -0.339 0.637) 5.595 6.789 ( -7.053 -3.037 -0.157) 7.681 6.945 ( -5.797 -4.508 -2.992) 7.930 6.989 ( 2.724 -1.044 -0.613) 2.981 7.076 ( -3.530 -7.706 0.931) 8.527 7.161 ( 0.481 0.532 4.906) 4.959 7.209 ( -6.554 -10.005 -2.834) 12.292 7.224 ( -0.223 -0.705 5.089) 5.142 7.348 ( -1.783 2.064 0.155) 2.732 7.420 ( -10.438 -4.582 0.959) 11.440 7.485 ( -2.075 -0.481 7.121) 7.433 7.524 ( -5.573 -0.100 -2.002) 5.923 7.574 ( -2.617 -2.863 -3.228) 5.046 7.667 ( -1.663 1.890 0.935) 2.685 7.715 ( -10.608 -2.256 2.250) 11.076 7.808 ( 4.300 -5.412 0.744) 6.952 7.906 ( 8.501 -7.658 2.662) 11.748 7.935 ( 2.815 6.463 -3.994) 8.102 7.993 ( -1.546 -1.197 2.732) 3.360 8.111 ( 3.556 -7.975 -7.536) 11.534 8.133 ( 0.085 1.008 -8.002) 8.065 8.273 ( -4.534 0.297 0.145) 4.546 8.350 ( 2.310 -5.870 0.097) 6.309 8.445 ( -3.606 10.361 4.471) 11.847 8.579 ( -0.675 6.616 -0.734) 6.691 8.650 ( 6.731 -1.186 2.435) 7.255 8.669 ( 7.307 -1.012 1.970) 7.636 8.766 ( -1.990 0.036 0.637) 2.090 8.874 ( 2.226 -0.648 2.487) 3.400 8.901 ( -2.729 -2.708 -0.027) 3.845 8.968 ( 0.023 3.941 -1.353) 4.167 9.032 ( 1.567 0.487 6.416) 6.623 9.070 ( -1.771 0.905 4.999) 5.380 9.221 ( 3.454 -0.528 -5.551) 6.559 9.274 ( -0.109 0.091 -6.281) 6.282 9.339 ( -0.542 1.652 1.912) 2.584 9.378 ( 0.740 2.698 -1.872) 3.366 9.425 ( 1.600 0.344 4.176) 4.485 9.513 ( 1.236 1.834 -3.526) 4.162 9.570 ( 0.806 1.119 1.321) 1.910 9.638 ( -1.073 1.392 -4.128) 4.487 9.678 ( -4.896 0.588 0.741) 4.987 9.747 ( -1.778 -3.481 2.329) 4.550 9.910 ( 4.699 -0.100 -1.485) 4.929 9.927 ( 0.189 -0.059 -1.173) 1.189 10.092 ( 4.645 -1.231 2.022) 5.213 10.145 ( 0.885 -1.916 -2.403) 3.199 10.301 ( -1.736 0.451 0.483) 1.857 10.328 ( 0.907 1.164 -1.867) 2.380 10.366 ( -0.081 -0.055 5.166) 5.167 10.440 ( -1.510 -0.199 -2.981) 3.348 10.475 ( 0.373 1.843 -1.247) 2.257 10.524 ( -2.646 -4.038 -6.607) 8.183 10.576 ( -2.544 3.080 7.432) 8.438 10.741 ( -2.827 2.791 -8.678) 9.544 10.854 ( 2.574 0.989 3.645) 4.571 10.956 ( 3.257 0.767 -1.050) 3.507 11.102 ( -0.072 -3.550 8.956) 9.635 11.230 ( -2.143 2.459 1.326) 3.521 11.277 ( -2.788 -0.597 1.218) 3.101 11.293 ( 0.696 -1.732 2.493) 3.114 11.356 ( -5.218 -3.341 4.155) 7.460 11.437 ( -1.947 -1.267 0.455) 2.367 11.469 ( -0.045 -3.500 -0.687) 3.567 11.558 ( -1.488 1.260 -1.769) 2.632 11.651 ( -1.600 -0.372 -2.169) 2.721 11.691 ( 4.442 -0.744 -8.248) 9.398 11.777 ( -5.742 0.737 0.890) 5.857 11.850 ( 1.353 -3.529 1.023) 3.916 11.900 ( -0.370 -4.775 -4.540) 6.599 11.979 ( 2.376 -3.177 -3.785) 5.483 12.141 ( 1.319 -3.800 1.525) 4.301 12.166 ( 1.177 -0.571 -2.343) 2.683 12.276 ( 2.141 3.454 2.801) 4.936 12.347 ( 1.929 1.683 -1.182) 2.820 12.392 ( -0.261 0.318 -0.111) 0.427 12.449 ( 1.713 0.361 -1.853) 2.549 12.510 ( 0.103 1.424 -0.523) 1.520 12.564 ( 3.976 -0.360 0.722) 4.057 12.654 ( -2.762 2.843 0.531) 3.999 12.729 ( 0.197 4.579 -0.785) 4.650 12.793 ( -0.995 -5.940 -1.183) 6.137 12.840 ( 1.415 -6.011 0.767) 6.222 13.018 ( 1.428 4.666 5.982) 7.720 13.134 ( -0.185 9.354 -5.114) 10.662 13.344 ( -0.260 14.083 -0.384) 14.090 13.418 ( 6.603 11.053 3.978) 13.476 13.456 ( -0.446 8.350 2.670) 8.778 13.519 ( 4.887 8.644 0.940) 9.974 13.754 ( 6.911 4.301 2.163) 8.423 13.799 ( 5.969 3.645 -4.395) 8.260 13.936 ( 2.464 1.052 -0.266) 2.692 14.009 ( 0.914 0.924 -5.479) 5.631 14.207 ( 5.481 3.793 3.162) 7.378 14.329 ( 8.847 4.580 -3.372) 10.517 14.472 ( 9.482 12.552 10.558) 18.946 14.614 ( 11.784 14.382 8.723) 20.537 14.693 ( 9.783 14.827 0.340) 17.767 14.791 ( 16.444 12.342 -6.514) 21.568 14.825 ( -2.079 13.990 1.479) 14.221 15.170 ( -4.133 0.559 7.812) 8.855 15.262 ( 8.485 -1.816 1.467) 8.800 15.421 ( 4.661 1.270 4.750) 6.775 15.552 ( 9.204 13.668 -6.476) 17.705 15.752 ( -5.816 -13.038 -4.522) 14.976 15.757 ( -11.156 -15.298 2.139) 19.055 15.867 ( -7.211 -6.911 4.305) 10.876 16.065 ( -1.388 -1.658 7.253) 7.569 16.110 ( -8.849 -5.923 -8.319) 13.513 16.285 ( -1.244 -9.837 11.123) 14.901 16.377 ( -14.807 -4.916 -9.721) 18.382 16.683 ( -8.607 -12.503 -2.526) 15.388 16.778 ( -5.971 -14.508 -6.525) 16.991 16.900 ( -0.990 0.947 13.883) 13.950 17.066 ( 5.048 8.027 17.240) 19.676 17.278 ( -0.156 1.500 -17.655) 17.719 17.520 ( 8.305 5.489 -18.456) 20.969 17.764 ( -10.155 -13.668 13.263) 21.583 18.094 ( -9.542 -10.325 -19.347) 23.916 ======================= Grid point 120 (30/32) ======================= q-point: ( 0.43 0.14 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -17.386 0.001 11.093) 20.623 2.103 ( -13.513 0.356 4.965) 14.401 2.176 ( 4.945 9.737 -1.049) 10.971 2.308 ( -2.027 2.012 3.814) 4.765 2.353 ( 3.460 7.649 2.765) 8.839 2.428 ( 11.841 12.337 -3.228) 17.402 2.598 ( -0.195 0.035 2.288) 2.297 2.699 ( -3.962 0.747 1.878) 4.448 2.795 ( -5.731 -8.642 1.043) 10.422 2.978 ( 5.628 -3.892 -5.969) 9.081 3.115 ( 2.378 -13.684 0.943) 13.921 3.156 ( 10.677 -9.572 -2.480) 14.553 3.417 ( 2.638 8.851 4.271) 10.175 3.519 ( 5.338 8.605 -3.963) 10.874 3.674 ( -3.041 3.473 1.832) 4.967 3.697 ( -6.427 -0.198 2.227) 6.804 3.800 ( -7.030 -2.073 2.854) 7.866 3.827 ( 6.003 -0.879 -1.361) 6.218 3.917 ( -2.992 -9.565 -1.104) 10.083 3.949 ( 0.883 0.548 1.746) 2.031 3.958 ( -1.607 -0.211 -1.423) 2.157 3.987 ( 3.834 -0.750 -3.999) 5.591 4.029 ( 7.039 -5.676 -2.226) 9.313 4.135 ( 2.113 0.937 -5.538) 6.001 4.186 ( -4.000 4.826 0.488) 6.287 4.243 ( 1.754 2.855 -3.831) 5.089 4.273 ( -7.927 2.113 2.754) 8.654 4.388 ( -1.050 4.753 -5.718) 7.509 4.507 ( -4.524 2.307 1.365) 5.258 4.536 ( -0.328 1.530 -0.428) 1.622 4.617 ( 2.646 1.445 2.414) 3.862 4.639 ( 2.179 -2.073 -0.985) 3.165 4.744 ( -2.654 0.844 3.840) 4.744 4.761 ( -0.427 1.106 3.346) 3.550 4.830 ( 0.660 0.389 5.084) 5.141 4.865 ( -0.698 1.206 2.984) 3.294 4.925 ( -0.270 3.635 2.380) 4.353 5.014 ( 1.078 1.618 -6.128) 6.429 5.030 ( -0.935 -7.131 6.308) 9.566 5.148 ( 2.062 -4.987 -3.822) 6.613 5.258 ( -1.237 -2.667 4.114) 5.056 5.292 ( -3.791 -2.429 7.022) 8.342 5.327 ( -0.029 1.439 4.614) 4.833 5.392 ( -0.586 -0.513 -3.616) 3.699 5.407 ( -3.350 1.508 0.836) 3.768 5.460 ( -1.477 3.024 3.491) 4.849 5.466 ( 8.380 3.466 -7.347) 11.671 5.573 ( 1.876 -0.312 -2.601) 3.222 5.737 ( 1.851 -3.750 -2.262) 4.755 5.779 ( -0.774 0.537 -7.625) 7.683 5.845 ( 0.538 -6.780 3.673) 7.730 5.926 ( 0.517 -8.232 0.280) 8.253 5.972 ( 1.913 -2.540 -5.168) 6.067 5.989 ( 5.411 0.045 -6.319) 8.319 6.176 ( -0.428 0.381 5.339) 5.369 6.238 ( 0.309 0.589 1.126) 1.307 6.380 ( -4.322 -1.137 0.283) 4.478 6.404 ( 1.079 -1.408 -2.340) 2.937 6.449 ( 3.360 -1.237 1.766) 3.993 6.523 ( 0.415 -3.260 -2.662) 4.229 6.688 ( -2.429 2.801 3.665) 5.213 6.760 ( 1.419 5.336 -0.430) 5.538 6.800 ( 2.515 1.997 -3.528) 4.771 6.851 ( 1.202 2.913 -4.130) 5.195 6.931 ( -4.263 -6.913 2.215) 8.418 6.991 ( -0.158 1.392 -1.393) 1.975 7.103 ( -1.953 -7.859 3.456) 8.805 7.169 ( 1.126 2.148 1.192) 2.702 7.239 ( 4.186 1.063 -0.766) 4.387 7.312 ( -3.203 5.098 -1.265) 6.152 7.405 ( 0.917 2.591 7.911) 8.375 7.444 ( -2.421 -1.555 6.314) 6.939 7.473 ( 1.747 2.978 2.192) 4.090 7.532 ( 0.220 0.182 -1.367) 1.397 7.534 ( -2.356 3.916 -4.045) 6.103 7.671 ( 0.230 -1.394 -6.061) 6.224 7.842 ( 4.645 -4.831 7.393) 9.978 7.956 ( 0.661 -3.320 5.072) 6.097 7.969 ( 6.491 -8.419 0.581) 10.647 8.016 ( 0.035 -2.916 -2.128) 3.610 8.055 ( -4.295 2.987 -6.530) 8.368 8.118 ( -0.086 -1.477 -8.419) 8.548 8.252 ( 2.198 -1.035 1.682) 2.955 8.314 ( 0.780 -6.296 -2.913) 6.981 8.481 ( -3.306 8.312 5.843) 10.684 8.582 ( -4.105 2.072 -0.261) 4.605 8.691 ( 1.384 -2.202 5.746) 6.307 8.728 ( 1.485 0.811 2.028) 2.642 8.784 ( 2.649 -3.536 1.522) 4.673 8.857 ( -0.528 -2.406 -3.607) 4.368 8.905 ( 1.965 1.361 0.867) 2.543 8.980 ( -2.393 3.735 -2.878) 5.288 9.054 ( 0.540 -0.514 10.678) 10.704 9.108 ( 3.325 -0.606 3.827) 5.106 9.233 ( -2.155 -0.316 -4.959) 5.416 9.263 ( 0.033 -0.266 -7.124) 7.129 9.330 ( -1.837 1.450 1.118) 2.593 9.395 ( -0.979 2.961 -3.478) 4.671 9.457 ( 1.353 -1.150 7.252) 7.466 9.544 ( 2.168 -0.381 -0.944) 2.395 9.569 ( -1.428 -1.841 1.388) 2.712 9.622 ( 0.371 -0.070 -2.773) 2.799 9.665 ( 1.007 4.223 -0.339) 4.355 9.716 ( -2.396 2.376 -3.114) 4.591 9.930 ( 0.055 -2.059 1.886) 2.793 9.976 ( 0.575 0.790 -1.050) 1.434 10.095 ( -0.534 -5.716 5.071) 7.660 10.125 ( 1.493 -3.894 1.307) 4.370 10.262 ( 0.767 2.056 2.303) 3.181 10.337 ( -1.586 -0.674 0.618) 1.831 10.384 ( -1.595 1.970 -6.184) 6.683 10.430 ( -0.489 1.314 -2.732) 3.071 10.448 ( -0.558 0.516 -3.237) 3.325 10.485 ( -1.722 1.565 -4.523) 5.087 10.562 ( -3.403 4.079 6.579) 8.456 10.754 ( -1.164 5.232 -9.045) 10.514 10.929 ( 4.742 -3.412 2.888) 6.517 10.979 ( 1.929 -3.102 -1.763) 4.056 11.093 ( 2.583 -3.235 9.261) 10.144 11.160 ( 1.005 -5.436 2.870) 6.229 11.271 ( -2.356 0.480 1.056) 2.626 11.301 ( 0.067 5.558 2.176) 5.969 11.321 ( 0.040 4.074 1.587) 4.372 11.429 ( 1.563 -1.083 3.574) 4.048 11.498 ( 2.242 2.730 -0.430) 3.559 11.559 ( 0.211 -1.566 -7.657) 7.818 11.633 ( -5.816 3.122 -0.712) 6.640 11.639 ( -1.255 -0.549 -2.516) 2.865 11.719 ( -2.643 -1.316 0.132) 2.956 11.809 ( -0.137 -1.570 -7.353) 7.520 11.913 ( 4.796 -4.815 0.679) 6.830 11.966 ( 0.629 -4.371 -2.693) 5.172 12.109 ( 0.176 -2.555 2.820) 3.809 12.189 ( 1.965 -0.359 -4.309) 4.750 12.322 ( 0.642 -1.369 2.019) 2.523 12.358 ( -0.187 -0.105 -0.626) 0.662 12.408 ( 3.259 -2.265 0.740) 4.037 12.456 ( 1.551 -2.295 -3.321) 4.324 12.568 ( 0.343 1.414 0.424) 1.516 12.588 ( -2.780 1.110 -0.918) 3.131 12.646 ( -2.431 2.113 2.222) 3.913 12.675 ( 1.206 2.233 -0.287) 2.554 12.790 ( 0.203 -6.761 1.623) 6.956 12.836 ( 5.940 -4.042 -2.987) 7.781 13.054 ( -1.902 3.172 5.874) 6.942 13.191 ( -3.282 8.683 -7.177) 11.733 13.415 ( -10.002 8.714 1.864) 13.396 13.452 ( -3.790 14.693 -1.200) 15.221 13.599 ( 2.603 7.290 5.280) 9.370 13.658 ( -1.357 -1.341 -0.243) 1.923 13.842 ( -4.408 -0.452 4.204) 6.108 13.898 ( 0.586 1.358 -3.138) 3.469 13.909 ( 0.047 0.780 -0.644) 1.013 13.980 ( -2.858 -0.080 -5.567) 6.258 14.232 ( -1.654 -5.265 7.411) 9.240 14.401 ( 1.265 3.585 -6.477) 7.510 14.692 ( -9.024 0.175 14.246) 16.865 14.724 ( 6.651 2.542 12.061) 14.006 14.904 ( -2.302 4.869 2.471) 5.926 15.025 ( 8.876 8.691 -3.472) 12.899 15.040 ( 3.797 2.292 -1.005) 4.548 15.160 ( -10.475 0.324 3.031) 10.909 15.266 ( -0.212 -2.025 2.150) 2.961 15.422 ( -6.995 -6.822 7.491) 12.312 15.492 ( 6.110 -0.268 -5.475) 8.208 15.631 ( -0.360 -3.604 2.700) 4.517 15.647 ( -1.643 2.657 -1.412) 3.429 15.870 ( -2.113 -1.149 -7.909) 8.267 15.985 ( 3.685 4.196 0.453) 5.602 16.063 ( -10.806 -0.439 -5.461) 12.116 16.188 ( 1.000 -10.094 6.284) 11.933 16.264 ( 15.920 5.832 -1.470) 17.018 16.516 ( 2.634 -4.722 -1.173) 5.533 16.596 ( 1.064 -10.636 -7.206) 12.891 16.900 ( -0.669 1.453 15.896) 15.977 17.231 ( 2.418 4.119 13.813) 14.616 17.281 ( -1.552 1.157 -15.247) 15.370 17.543 ( 0.981 -6.065 13.476) 14.811 17.621 ( -4.830 1.446 -17.412) 18.127 17.951 ( 5.030 -3.785 -21.526) 22.427 ======================= Grid point 122 (31/32) ======================= q-point: (-0.43 0.14 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -24.983 1.212 4.465) 25.408 1.791 ( -18.719 -1.956 13.693) 23.275 1.992 ( -17.497 -1.681 0.869) 17.599 2.213 ( -13.114 -1.182 -3.848) 13.718 2.545 ( -1.875 -7.682 4.418) 9.058 2.603 ( 8.959 12.760 -2.412) 15.777 2.640 ( 0.474 2.649 -7.973) 8.415 2.764 ( 1.180 -0.261 12.305) 12.364 2.919 ( -4.109 -2.515 -8.583) 9.843 2.958 ( 12.250 4.478 0.798) 13.067 3.076 ( 6.637 -3.590 -0.588) 7.568 3.213 ( -3.581 -2.056 11.679) 12.388 3.322 ( 11.793 -6.906 -2.130) 13.831 3.545 ( 0.592 -6.816 -4.850) 8.387 3.639 ( -1.082 3.092 -2.408) 4.065 3.692 ( -0.189 -0.992 -1.608) 1.899 3.812 ( -2.136 -3.898 1.017) 4.560 3.858 ( 0.387 -2.201 0.791) 2.370 3.896 ( 3.487 5.972 1.449) 7.066 3.943 ( -1.225 -0.463 0.964) 1.627 3.968 ( 1.104 3.164 -2.146) 3.979 4.051 ( -2.315 2.444 0.835) 3.468 4.075 ( -5.210 -1.435 -1.821) 5.703 4.096 ( -2.611 0.052 -0.844) 2.745 4.149 ( 4.243 -1.643 -4.267) 6.238 4.189 ( 2.160 -1.940 -4.667) 5.496 4.272 ( -6.769 5.425 3.138) 9.225 4.421 ( -4.439 -0.798 0.518) 4.539 4.453 ( -1.563 3.226 -3.240) 4.832 4.553 ( -5.654 -1.429 4.282) 7.235 4.574 ( -1.001 -1.632 -3.317) 3.830 4.615 ( -7.196 -1.878 -0.846) 7.485 4.619 ( -0.793 -1.184 -0.543) 1.525 4.689 ( -2.045 -0.841 -1.563) 2.708 4.800 ( -3.984 -0.024 8.634) 9.509 4.877 ( -1.153 3.199 4.831) 5.908 4.930 ( -0.942 -1.193 0.823) 1.729 5.088 ( 6.134 0.426 4.358) 7.536 5.102 ( 1.246 0.786 -3.227) 3.547 5.144 ( -2.237 -1.275 2.284) 3.442 5.192 ( 5.786 1.721 -0.855) 6.097 5.255 ( -0.798 3.985 3.273) 5.218 5.351 ( 4.371 0.052 6.635) 7.946 5.410 ( 5.366 1.400 -1.197) 5.673 5.469 ( 4.869 0.442 -5.460) 7.329 5.502 ( 1.053 0.097 4.527) 4.649 5.654 ( 0.689 0.366 -7.245) 7.287 5.694 ( 9.543 6.101 -1.057) 11.375 5.731 ( -3.067 -3.002 -6.757) 8.005 5.752 ( 7.440 -2.467 3.856) 8.736 5.841 ( 7.729 -1.844 1.803) 8.148 5.976 ( 6.186 -0.443 -3.894) 7.324 6.006 ( 2.305 0.128 -1.242) 2.621 6.060 ( 4.223 -1.680 -2.866) 5.373 6.117 ( 2.518 0.622 -0.395) 2.624 6.181 ( -2.151 -4.263 2.541) 5.409 6.330 ( -7.240 2.389 0.386) 7.634 6.376 ( 0.787 5.027 -1.202) 5.228 6.584 ( 8.863 -1.324 2.656) 9.347 6.602 ( 10.058 -2.797 -0.286) 10.444 6.756 ( -0.794 -1.542 -1.790) 2.492 6.763 ( 5.595 2.709 3.683) 7.226 6.846 ( 0.024 0.996 -1.973) 2.210 6.909 ( 5.066 4.752 2.182) 7.281 6.949 ( 6.952 -1.449 -3.634) 7.977 7.038 ( 0.956 2.733 -0.376) 2.920 7.125 ( 7.815 3.581 5.535) 10.224 7.199 ( 3.735 -4.120 1.354) 5.723 7.276 ( 2.750 0.135 2.427) 3.670 7.371 ( 5.822 -1.330 -4.381) 7.407 7.455 ( 1.412 4.282 1.596) 4.783 7.501 ( 2.609 8.938 4.454) 10.322 7.516 ( 5.141 0.303 -1.154) 5.277 7.542 ( 0.420 1.947 2.537) 3.225 7.671 ( 3.354 0.973 -0.402) 3.515 7.735 ( 2.890 4.861 -2.987) 6.396 7.845 ( 3.933 -3.460 4.544) 6.934 7.904 ( 0.400 -7.267 1.627) 7.458 7.935 ( 1.251 -4.370 0.041) 4.546 8.010 ( -2.023 -1.081 -9.283) 9.562 8.026 ( 4.818 -2.600 1.194) 5.603 8.135 ( -1.145 3.044 -6.828) 7.563 8.283 ( 1.127 -1.496 0.006) 1.873 8.316 ( 5.132 2.058 1.542) 5.740 8.477 ( -5.886 6.971 6.947) 11.467 8.524 ( -5.783 3.690 0.103) 6.861 8.638 ( -8.248 -5.740 -0.722) 10.074 8.675 ( -0.638 -4.603 2.595) 5.322 8.792 ( -1.031 2.884 0.458) 3.097 8.847 ( 3.594 -5.658 -0.685) 6.738 8.958 ( 2.416 -0.203 -1.024) 2.632 8.970 ( -1.505 1.311 -2.375) 3.102 9.044 ( 0.736 -3.389 10.569) 11.123 9.114 ( 0.290 -1.664 4.797) 5.086 9.174 ( -3.902 1.317 -5.076) 6.537 9.270 ( -0.334 0.658 -7.919) 7.954 9.320 ( -1.300 1.165 0.506) 1.817 9.392 ( -0.970 -0.618 -1.254) 1.702 9.444 ( -1.938 -0.951 4.833) 5.294 9.525 ( -1.898 -1.433 -4.175) 4.805 9.565 ( 0.871 0.465 0.488) 1.101 9.649 ( -4.254 2.021 -5.718) 7.408 9.690 ( 4.905 1.678 0.322) 5.195 9.776 ( 5.900 -1.876 0.974) 6.268 9.853 ( -3.493 -1.331 0.078) 3.739 9.950 ( -1.129 -0.329 -1.472) 1.884 10.048 ( -2.659 -1.329 5.597) 6.337 10.149 ( 2.363 -1.124 0.960) 2.787 10.253 ( -3.796 3.825 0.351) 5.400 10.332 ( -3.301 -0.628 -0.885) 3.475 10.379 ( 3.568 -0.074 1.531) 3.884 10.428 ( -2.555 4.071 -0.235) 4.812 10.469 ( 1.514 0.867 -1.873) 2.560 10.502 ( 2.588 0.526 -3.737) 4.576 10.576 ( 0.988 3.604 4.873) 6.141 10.762 ( -1.630 0.523 -7.840) 8.024 10.905 ( -1.146 -3.823 0.512) 4.023 10.955 ( -2.084 -2.200 -1.692) 3.470 11.112 ( 2.610 -3.145 12.515) 13.165 11.220 ( 3.536 2.526 -2.394) 4.962 11.263 ( 2.921 -0.822 0.219) 3.043 11.310 ( -1.314 0.710 1.984) 2.484 11.401 ( 1.471 1.759 0.000) 2.293 11.433 ( 4.079 1.220 -1.497) 4.513 11.498 ( 2.010 -3.964 1.662) 4.745 11.610 ( 0.020 1.971 -0.906) 2.169 11.620 ( 1.669 -1.107 -6.088) 6.409 11.644 ( 2.688 -0.479 -0.559) 2.787 11.710 ( 1.387 7.382 4.191) 8.601 11.811 ( -1.248 3.599 -2.107) 4.353 11.897 ( -0.105 -3.518 -0.588) 3.569 11.976 ( 3.358 -1.883 -2.405) 4.540 12.120 ( 2.572 -0.925 1.618) 3.176 12.200 ( 0.802 -3.686 -3.142) 4.909 12.292 ( -1.897 -2.247 1.569) 3.333 12.339 ( -2.849 0.408 -0.006) 2.878 12.409 ( -0.435 0.722 -1.001) 1.309 12.431 ( -3.422 -2.380 -0.980) 4.282 12.508 ( -5.064 0.901 -1.074) 5.254 12.577 ( 3.056 -3.650 -0.145) 4.763 12.677 ( -0.137 4.491 -1.963) 4.904 12.694 ( -3.798 -0.583 1.883) 4.279 12.787 ( 4.889 -0.751 0.727) 5.000 12.876 ( 5.193 -6.028 -2.799) 8.434 13.018 ( -4.634 1.055 5.130) 6.993 13.173 ( -6.971 3.324 -7.462) 10.740 13.305 ( -10.678 5.186 2.735) 12.182 13.465 ( -10.901 4.277 -0.871) 11.742 13.509 ( -9.227 0.129 -0.420) 9.237 13.548 ( -10.676 -6.650 -1.930) 12.725 13.655 ( -5.527 1.611 6.125) 8.405 13.848 ( -8.982 -4.174 -3.826) 10.618 13.911 ( -0.527 1.612 2.576) 3.084 13.977 ( -1.559 0.680 -2.804) 3.279 14.128 ( -7.980 2.042 5.766) 10.055 14.397 ( -4.781 -7.660 -5.942) 10.809 14.450 ( -16.651 -0.769 11.552) 20.280 14.627 ( -17.895 -2.782 9.162) 20.295 14.694 ( -19.781 -3.305 -1.703) 20.127 14.745 ( -19.353 -4.054 -6.215) 20.727 14.984 ( -12.024 0.134 -1.589) 12.129 15.110 ( -10.379 -4.033 -1.890) 11.294 15.290 ( 13.127 -2.555 12.935) 18.606 15.367 ( -5.576 0.895 4.163) 7.016 15.591 ( -8.745 -3.455 0.644) 9.424 15.702 ( 12.040 1.953 -17.509) 21.338 15.744 ( 12.112 2.869 8.295) 14.958 15.886 ( 9.237 3.908 5.915) 11.644 15.910 ( 1.721 9.128 7.693) 12.061 16.189 ( 9.300 -0.466 -2.981) 9.777 16.255 ( 10.975 -0.377 1.355) 11.065 16.567 ( 12.357 -5.837 -12.102) 18.254 16.673 ( 14.094 1.546 0.791) 14.201 16.685 ( 15.390 6.001 -3.188) 16.823 16.901 ( -0.213 0.538 15.499) 15.510 17.126 ( -7.656 -5.128 16.727) 19.097 17.272 ( -1.503 1.735 -18.071) 18.216 17.463 ( -10.293 0.374 -18.539) 21.209 17.747 ( 17.181 3.627 12.659) 21.647 18.122 ( 13.679 0.528 -19.550) 23.866 ======================= Grid point 127 (32/32) ======================= q-point: ( 0.29 0.29 0.40) 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 11.387 15.946 7.711) 21.057 2.167 ( 15.443 16.937 1.452) 22.966 2.241 ( 7.434 7.215 6.901) 12.448 2.330 ( -4.865 6.217 10.335) 13.005 2.489 ( -3.868 3.633 1.280) 5.459 2.559 ( 0.165 -12.066 6.931) 13.916 2.641 ( -6.998 0.823 -0.742) 7.085 2.692 ( -7.215 -3.135 -3.341) 8.547 2.718 ( 4.636 -4.160 -3.276) 7.038 2.883 ( -2.071 -17.788 5.318) 18.681 2.917 ( -4.162 -3.223 -9.423) 10.794 3.036 ( -7.679 -10.391 -7.540) 14.960 3.476 ( 7.681 22.183 5.494) 24.109 3.583 ( 2.735 12.652 -3.739) 13.474 3.709 ( 4.179 0.905 0.739) 4.339 3.746 ( 6.818 -1.862 -1.290) 7.184 3.793 ( -1.622 -1.066 2.758) 3.372 3.824 ( -4.113 0.658 0.389) 4.183 3.882 ( -3.164 -6.443 -0.994) 7.247 3.911 ( -0.737 -2.217 2.206) 3.213 3.936 ( -5.696 -4.855 -4.426) 8.695 3.975 ( -1.162 -5.929 -2.381) 6.494 4.000 ( 3.129 -5.312 -3.790) 7.236 4.068 ( -7.018 -2.447 -6.725) 10.023 4.244 ( 2.728 8.558 0.133) 8.983 4.257 ( 6.071 8.311 -0.987) 10.339 4.360 ( 0.799 -3.285 2.626) 4.280 4.428 ( -2.333 -3.379 -2.761) 4.948 4.492 ( -1.503 -2.420 3.658) 4.636 4.568 ( 1.501 1.733 -3.126) 3.877 4.644 ( 3.228 4.074 6.881) 8.624 4.664 ( 3.138 5.784 3.855) 7.627 4.697 ( -0.129 9.505 0.883) 9.547 4.749 ( 4.459 2.315 -1.376) 5.209 4.863 ( -4.755 -5.324 8.070) 10.774 4.888 ( -0.439 1.467 8.705) 8.839 4.914 ( 1.123 -2.636 4.439) 5.283 4.985 ( -1.370 -3.148 -1.883) 3.916 5.067 ( 1.520 -4.269 -6.525) 7.944 5.090 ( -4.271 0.098 -6.081) 7.431 5.227 ( 0.027 -4.514 5.252) 6.925 5.274 ( 2.508 2.665 7.784) 8.601 5.311 ( 0.949 2.195 3.393) 4.151 5.410 ( 2.551 4.575 -5.553) 7.634 5.440 ( 1.880 -1.067 -4.594) 5.077 5.489 ( -7.348 -4.947 2.434) 9.186 5.522 ( -1.731 0.310 7.408) 7.614 5.587 ( -6.074 -4.668 -1.798) 7.868 5.631 ( 1.231 -6.929 -8.238) 10.835 5.778 ( 0.475 -0.024 5.204) 5.226 5.815 ( 2.475 4.010 -10.804) 11.787 5.862 ( -1.510 -6.773 1.043) 7.018 5.925 ( -3.924 -2.128 -7.749) 8.943 5.953 ( -3.088 -4.316 -6.823) 8.644 6.194 ( 6.556 2.986 5.211) 8.891 6.225 ( -0.066 6.665 4.822) 8.226 6.368 ( -2.498 1.227 -2.420) 3.688 6.400 ( -4.680 -6.496 2.964) 8.537 6.419 ( 1.719 -4.811 -2.912) 5.881 6.488 ( -2.577 -3.793 -2.856) 5.402 6.738 ( 2.336 1.753 4.408) 5.287 6.804 ( -5.216 3.194 1.105) 6.215 6.826 ( 3.223 4.563 -0.778) 5.640 6.866 ( 1.612 -2.203 -3.536) 4.467 6.882 ( -1.030 -4.992 -3.696) 6.297 7.006 ( -4.107 -5.002 -5.606) 8.563 7.051 ( 0.920 -2.722 3.195) 4.297 7.171 ( 0.045 -0.724 -7.044) 7.081 7.282 ( 1.698 6.679 9.837) 12.011 7.361 ( 2.753 3.258 6.084) 7.430 7.427 ( -0.288 -0.995 8.348) 8.412 7.466 ( 0.925 0.644 1.169) 1.624 7.511 ( -2.503 1.803 -3.584) 4.729 7.554 ( 0.308 -3.225 0.413) 3.266 7.611 ( -3.484 -7.364 4.280) 9.202 7.670 ( -3.543 -4.366 -2.370) 6.102 7.727 ( -10.636 1.443 -5.653) 12.131 7.771 ( 3.964 -12.128 -3.709) 13.287 7.864 ( -0.168 -0.302 10.410) 10.416 8.053 ( 2.536 3.246 2.981) 5.084 8.102 ( 3.513 5.993 -7.999) 10.595 8.171 ( -1.164 -0.364 -4.882) 5.032 8.202 ( -1.417 -6.268 -2.507) 6.898 8.231 ( -2.712 -3.475 -2.086) 4.876 8.593 ( -0.000 3.605 6.901) 7.786 8.611 ( 3.825 -0.406 9.024) 9.809 8.641 ( -1.480 0.191 4.599) 4.835 8.716 ( 2.007 4.598 -2.825) 5.758 8.773 ( -1.525 0.030 -4.090) 4.365 8.811 ( 0.462 -2.889 -1.350) 3.222 8.928 ( -0.488 1.149 -0.153) 1.258 9.024 ( 1.323 2.464 1.165) 3.030 9.048 ( 2.261 0.100 7.141) 7.491 9.076 ( -2.911 -0.306 4.268) 5.176 9.234 ( 1.350 1.652 -6.286) 6.638 9.265 ( -0.590 -1.040 -7.928) 8.018 9.369 ( 2.070 1.365 3.547) 4.328 9.402 ( 0.511 0.715 4.018) 4.113 9.458 ( -0.130 2.071 -1.219) 2.407 9.518 ( -1.497 -1.000 -3.886) 4.282 9.561 ( -0.363 -1.954 2.657) 3.318 9.618 ( -1.044 -1.879 -2.640) 3.405 9.720 ( -0.187 2.136 -1.333) 2.525 9.745 ( 1.741 1.616 -1.759) 2.956 9.901 ( 2.123 2.929 4.053) 5.433 9.978 ( 0.350 1.107 1.067) 1.577 10.060 ( -2.652 -4.278 0.199) 5.038 10.073 ( 0.829 -1.329 2.095) 2.615 10.283 ( -0.763 -0.374 1.962) 2.138 10.319 ( -1.485 -2.562 2.982) 4.202 10.396 ( 2.237 3.284 -7.026) 8.072 10.443 ( -0.781 -0.121 -2.259) 2.393 10.458 ( -0.185 -2.430 -3.964) 4.653 10.508 ( 0.640 0.928 -3.930) 4.088 10.665 ( 4.378 5.236 6.394) 9.352 10.816 ( -1.076 0.801 -1.820) 2.261 10.842 ( -0.906 0.565 -2.119) 2.373 10.931 ( -1.413 -2.335 -5.018) 5.712 11.048 ( -1.423 -1.920 8.605) 8.931 11.119 ( -2.029 -5.946 0.214) 6.287 11.281 ( 1.867 1.250 5.378) 5.829 11.337 ( 0.749 0.922 2.801) 3.042 11.380 ( -2.888 0.974 5.830) 6.579 11.439 ( -2.411 3.311 -3.556) 5.424 11.463 ( 4.076 0.692 -4.133) 5.846 11.561 ( -2.668 -3.742 -6.962) 8.342 11.649 ( 1.712 4.494 1.000) 4.912 11.703 ( 5.576 3.425 -3.747) 7.541 11.753 ( 4.900 -5.664 3.931) 8.458 11.785 ( -6.586 -0.996 3.708) 7.623 11.848 ( -7.430 -0.790 -4.273) 8.608 11.869 ( 2.120 -6.372 -5.764) 8.850 12.092 ( -0.197 -1.006 2.548) 2.746 12.178 ( -0.298 0.578 -5.306) 5.346 12.311 ( 1.370 1.239 2.403) 3.031 12.362 ( -1.047 -0.544 0.406) 1.247 12.383 ( -1.870 -0.927 -2.303) 3.108 12.411 ( -0.130 -1.961 -2.376) 3.084 12.575 ( 2.158 5.069 1.363) 5.675 12.609 ( 2.867 3.297 -0.938) 4.469 12.685 ( -1.549 -2.690 0.194) 3.110 12.692 ( -2.708 -2.289 -0.761) 3.626 12.732 ( 0.839 -3.843 1.583) 4.240 12.772 ( -1.895 0.169 -2.002) 2.761 13.083 ( 1.188 1.976 7.974) 8.301 13.278 ( 1.448 4.074 -10.583) 11.432 13.575 ( 9.807 5.193 3.990) 11.793 13.606 ( -0.254 6.101 2.663) 6.662 13.650 ( -0.633 11.132 -1.467) 11.246 13.651 ( 3.357 4.826 -1.129) 5.986 13.829 ( 8.107 5.666 5.365) 11.252 13.902 ( -0.087 1.112 1.781) 2.102 13.942 ( -0.184 4.617 -4.078) 6.163 13.997 ( 2.948 -2.108 -5.286) 6.409 14.153 ( -4.276 -6.654 9.776) 12.575 14.387 ( -1.274 -1.313 -9.097) 9.279 14.708 ( 5.345 11.087 13.825) 18.510 14.782 ( 5.283 5.021 14.356) 16.101 14.929 ( 5.497 2.223 -0.021) 5.929 14.990 ( -7.868 -0.202 10.464) 13.093 15.070 ( 4.935 19.238 -11.032) 22.719 15.213 ( 6.768 4.439 3.597) 8.857 15.261 ( 6.140 1.004 -6.420) 8.940 15.404 ( -4.568 -3.576 0.688) 5.842 15.506 ( -3.541 -9.001 1.473) 9.784 15.543 ( -5.051 -7.229 14.667) 17.114 15.732 ( 3.268 5.487 -8.125) 10.334 15.853 ( 1.283 0.299 -10.960) 11.039 16.014 ( -5.935 -0.551 2.717) 6.551 16.063 ( 7.978 -0.864 4.653) 9.276 16.112 ( 0.854 -2.102 2.068) 3.070 16.294 ( -13.458 -3.969 -9.920) 17.184 16.442 ( -4.878 -12.227 -0.633) 13.179 16.490 ( -3.382 -10.984 -4.194) 12.234 16.920 ( 0.482 0.737 15.433) 15.458 17.243 ( 3.906 9.916 16.858) 19.944 17.301 ( 0.642 0.717 -18.428) 18.453 17.493 ( -6.205 -12.535 15.173) 20.637 17.659 ( 6.311 8.002 -19.443) 21.951 17.893 ( -7.226 -10.262 -20.635) 24.152 =================== 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 3/44100 10.0 990.625 990.625 498.581 0.000 0.000 -0.000 3/44100 20.0 180.670 180.670 92.764 0.000 0.000 -0.000 3/44100 30.0 56.755 56.755 32.187 0.000 0.000 -0.000 3/44100 40.0 26.845 26.845 15.933 0.000 0.000 -0.000 3/44100 50.0 15.859 15.859 9.676 0.000 0.000 -0.000 3/44100 60.0 10.663 10.663 6.649 0.000 0.000 -0.000 3/44100 70.0 7.789 7.789 4.951 0.000 0.000 -0.000 3/44100 80.0 6.026 6.026 3.895 0.000 0.000 -0.000 3/44100 90.0 4.861 4.861 3.189 0.000 0.000 -0.000 3/44100 100.0 4.048 4.048 2.691 0.000 0.000 -0.000 3/44100 110.0 3.456 3.456 2.325 0.000 0.000 -0.000 3/44100 120.0 3.010 3.010 2.047 0.000 0.000 -0.000 3/44100 130.0 2.665 2.665 1.829 0.000 0.000 -0.000 3/44100 140.0 2.391 2.391 1.655 0.000 0.000 -0.000 3/44100 150.0 2.170 2.170 1.514 0.000 0.000 -0.000 3/44100 160.0 1.987 1.987 1.396 0.000 0.000 -0.000 3/44100 170.0 1.834 1.834 1.297 0.000 0.000 -0.000 3/44100 180.0 1.705 1.705 1.212 0.000 0.000 -0.000 3/44100 190.0 1.593 1.593 1.139 0.000 0.000 -0.000 3/44100 200.0 1.497 1.497 1.075 0.000 0.000 -0.000 3/44100 210.0 1.412 1.412 1.019 0.000 0.000 -0.000 3/44100 220.0 1.337 1.337 0.969 0.000 0.000 -0.000 3/44100 230.0 1.270 1.270 0.924 0.000 0.000 -0.000 3/44100 240.0 1.210 1.210 0.884 0.000 0.000 -0.000 3/44100 250.0 1.156 1.156 0.847 0.000 0.000 -0.000 3/44100 260.0 1.107 1.107 0.814 0.000 0.000 -0.000 3/44100 270.0 1.062 1.062 0.783 0.000 0.000 -0.000 3/44100 280.0 1.021 1.021 0.755 0.000 0.000 -0.000 3/44100 290.0 0.983 0.983 0.729 0.000 0.000 -0.000 3/44100 300.0 0.948 0.948 0.704 0.000 0.000 -0.000 3/44100 310.0 0.916 0.916 0.682 0.000 0.000 -0.000 3/44100 320.0 0.885 0.885 0.660 0.000 0.000 -0.000 3/44100 330.0 0.857 0.857 0.641 0.000 0.000 -0.000 3/44100 340.0 0.831 0.831 0.622 0.000 0.000 -0.000 3/44100 350.0 0.806 0.806 0.605 0.000 0.000 -0.000 3/44100 360.0 0.783 0.783 0.588 0.000 0.000 -0.000 3/44100 370.0 0.761 0.761 0.572 0.000 0.000 -0.000 3/44100 380.0 0.740 0.740 0.558 0.000 0.000 -0.000 3/44100 390.0 0.721 0.721 0.544 0.000 0.000 -0.000 3/44100 400.0 0.702 0.702 0.530 0.000 0.000 -0.000 3/44100 410.0 0.685 0.685 0.518 0.000 0.000 -0.000 3/44100 420.0 0.668 0.668 0.506 0.000 0.000 -0.000 3/44100 430.0 0.652 0.652 0.494 0.000 0.000 -0.000 3/44100 440.0 0.637 0.637 0.483 0.000 0.000 -0.000 3/44100 450.0 0.623 0.623 0.473 0.000 0.000 -0.000 3/44100 460.0 0.609 0.609 0.463 0.000 0.000 -0.000 3/44100 470.0 0.596 0.596 0.453 0.000 0.000 -0.000 3/44100 480.0 0.583 0.583 0.444 0.000 0.000 -0.000 3/44100 490.0 0.571 0.571 0.435 0.000 0.000 -0.000 3/44100 500.0 0.560 0.560 0.426 0.000 0.000 -0.000 3/44100 510.0 0.549 0.549 0.418 0.000 0.000 -0.000 3/44100 520.0 0.538 0.538 0.410 0.000 0.000 -0.000 3/44100 530.0 0.528 0.528 0.403 0.000 0.000 -0.000 3/44100 540.0 0.518 0.518 0.396 0.000 0.000 -0.000 3/44100 550.0 0.509 0.509 0.389 0.000 0.000 -0.000 3/44100 560.0 0.499 0.499 0.382 0.000 0.000 -0.000 3/44100 570.0 0.491 0.491 0.375 0.000 0.000 -0.000 3/44100 580.0 0.482 0.482 0.369 0.000 0.000 -0.000 3/44100 590.0 0.474 0.474 0.363 0.000 0.000 -0.000 3/44100 600.0 0.466 0.466 0.357 0.000 0.000 -0.000 3/44100 610.0 0.458 0.458 0.351 0.000 0.000 -0.000 3/44100 620.0 0.451 0.451 0.345 0.000 0.000 -0.000 3/44100 630.0 0.444 0.444 0.340 0.000 0.000 -0.000 3/44100 640.0 0.437 0.437 0.335 0.000 0.000 -0.000 3/44100 650.0 0.430 0.430 0.330 0.000 0.000 -0.000 3/44100 660.0 0.423 0.423 0.325 0.000 0.000 -0.000 3/44100 670.0 0.417 0.417 0.320 0.000 0.000 -0.000 3/44100 680.0 0.411 0.411 0.316 0.000 0.000 -0.000 3/44100 690.0 0.405 0.405 0.311 0.000 0.000 -0.000 3/44100 700.0 0.399 0.399 0.307 0.000 0.000 -0.000 3/44100 710.0 0.394 0.394 0.302 0.000 0.000 -0.000 3/44100 720.0 0.388 0.388 0.298 0.000 0.000 -0.000 3/44100 730.0 0.383 0.383 0.294 0.000 0.000 -0.000 3/44100 740.0 0.378 0.378 0.290 0.000 0.000 -0.000 3/44100 750.0 0.372 0.372 0.287 0.000 0.000 -0.000 3/44100 760.0 0.368 0.368 0.283 0.000 0.000 -0.000 3/44100 770.0 0.363 0.363 0.279 0.000 0.000 -0.000 3/44100 780.0 0.358 0.358 0.276 0.000 0.000 -0.000 3/44100 790.0 0.354 0.354 0.272 0.000 0.000 -0.000 3/44100 800.0 0.349 0.349 0.269 0.000 0.000 -0.000 3/44100 810.0 0.345 0.345 0.266 0.000 0.000 -0.000 3/44100 820.0 0.341 0.341 0.262 0.000 0.000 -0.000 3/44100 830.0 0.337 0.337 0.259 0.000 0.000 -0.000 3/44100 840.0 0.333 0.333 0.256 0.000 0.000 -0.000 3/44100 850.0 0.329 0.329 0.253 0.000 0.000 -0.000 3/44100 860.0 0.325 0.325 0.250 0.000 0.000 -0.000 3/44100 870.0 0.321 0.321 0.247 0.000 0.000 -0.000 3/44100 880.0 0.317 0.317 0.245 0.000 0.000 -0.000 3/44100 890.0 0.314 0.314 0.242 0.000 0.000 -0.000 3/44100 900.0 0.310 0.310 0.239 0.000 0.000 -0.000 3/44100 910.0 0.307 0.307 0.237 0.000 0.000 -0.000 3/44100 920.0 0.304 0.304 0.234 0.000 0.000 -0.000 3/44100 930.0 0.300 0.300 0.232 0.000 0.000 -0.000 3/44100 940.0 0.297 0.297 0.229 0.000 0.000 -0.000 3/44100 950.0 0.294 0.294 0.227 0.000 0.000 -0.000 3/44100 960.0 0.291 0.291 0.225 0.000 0.000 -0.000 3/44100 970.0 0.288 0.288 0.222 0.000 0.000 -0.000 3/44100 980.0 0.285 0.285 0.220 0.000 0.000 -0.000 3/44100 990.0 0.282 0.282 0.218 0.000 0.000 -0.000 3/44100 1000.0 0.279 0.279 0.216 0.000 0.000 -0.000 3/44100 Thermal conductivity related properties were written into "kappa-m775.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:00:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|