----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:21:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.644487840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.415608040000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.562271000000001 Atomic positions (fractional): *1 Sr 0.32792864066428 0.42955943976043 0.10890688142793 87.620 *2 Sr 0.84057942414291 0.25000000000000 0.03370742892763 87.620 3 Sr 0.82792864066428 0.42955943976043 0.39109311857207 87.620 4 Sr 0.67207135933572 0.57044056023957 0.89109311857207 87.620 5 Sr 0.82792864066428 0.07044056023957 0.39109311857207 87.620 6 Sr 0.17207135933572 0.92955943976043 0.60890688142793 87.620 7 Sr 0.65942057585709 0.75000000000000 0.53370742892763 87.620 8 Sr 0.67207135933572 0.92955943976043 0.89109311857207 87.620 9 Sr 0.32792864066428 0.07044056023957 0.10890688142793 87.620 10 Sr 0.17207135933572 0.57044056023957 0.60890688142793 87.620 11 Sr 0.34057942414291 0.25000000000000 0.46629257107237 87.620 12 Sr 0.15942057585709 0.75000000000000 0.96629257107237 87.620 *13 Bi 0.60215485949421 0.75000000000000 0.13208047973223 208.980 14 Bi 0.89784514050579 0.25000000000000 0.63208047973223 208.980 15 Bi 0.39784514050579 0.25000000000000 0.86791952026777 208.980 16 Bi 0.10215485949421 0.75000000000000 0.36791952026777 208.980 *17 Cl 0.10281739373014 0.00686959905295 0.85614862879491 35.453 *18 Cl 0.57704800705412 0.25000000000000 0.23141646214091 35.453 19 Cl 0.10281739373014 0.49313040094705 0.85614862879491 35.453 20 Cl 0.07704800705412 0.25000000000000 0.26858353785909 35.453 21 Cl 0.89718260626986 0.99313040094705 0.14385137120509 35.453 22 Cl 0.60281739373014 0.00686959905295 0.64385137120509 35.453 23 Cl 0.89718260626986 0.50686959905295 0.14385137120509 35.453 24 Cl 0.39718260626986 0.99313040094705 0.35614862879491 35.453 25 Cl 0.60281739373014 0.49313040094705 0.64385137120509 35.453 26 Cl 0.42295199294587 0.75000000000000 0.76858353785909 35.453 27 Cl 0.39718260626986 0.50686959905295 0.35614862879491 35.453 28 Cl 0.92295199294588 0.75000000000000 0.73141646214091 35.453 *29 O 0.57684195789858 0.12293017094502 0.95069085425093 15.999 30 O 0.42315804210142 0.62293017094502 0.04930914574907 15.999 31 O 0.92315804210142 0.87706982905498 0.45069085425093 15.999 *32 O 0.20038911692097 0.25000000000000 0.00836879327344 15.999 33 O 0.79961088307903 0.75000000000000 0.99163120672656 15.999 34 O 0.07684195789858 0.37706982905498 0.54930914574907 15.999 35 O 0.70038911692097 0.25000000000000 0.49163120672656 15.999 36 O 0.29961088307903 0.75000000000000 0.50836879327344 15.999 37 O 0.92315804210142 0.62293017094502 0.45069085425093 15.999 38 O 0.07684195789858 0.12293017094502 0.54930914574907 15.999 39 O 0.57684195789858 0.37706982905498 0.95069085425093 15.999 40 O 0.42315804210142 0.87706982905498 0.04930914574907 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.644487840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.415608040000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.562271000000001 Atomic positions (fractional): *1 Sr 0.32792864066428 0.42955943976043 0.10890688142793 87.620 > 1 *2 Sr 0.84057942414291 0.25000000000000 0.03370742892763 87.620 > 2 3 Sr 0.82792864066428 0.42955943976043 0.39109311857207 87.620 > 3 4 Sr 0.67207135933572 0.57044056023957 0.89109311857207 87.620 > 4 5 Sr 0.82792864066428 0.07044056023957 0.39109311857207 87.620 > 5 6 Sr 0.17207135933572 0.92955943976043 0.60890688142793 87.620 > 6 7 Sr 0.65942057585709 0.75000000000000 0.53370742892763 87.620 > 7 8 Sr 0.67207135933572 0.92955943976043 0.89109311857207 87.620 > 8 9 Sr 0.32792864066428 0.07044056023957 0.10890688142793 87.620 > 9 10 Sr 0.17207135933572 0.57044056023957 0.60890688142793 87.620 > 10 11 Sr 0.34057942414291 0.25000000000000 0.46629257107237 87.620 > 11 12 Sr 0.15942057585709 0.75000000000000 0.96629257107237 87.620 > 12 *13 Bi 0.60215485949421 0.75000000000000 0.13208047973223 208.980 > 13 14 Bi 0.89784514050579 0.25000000000000 0.63208047973223 208.980 > 14 15 Bi 0.39784514050579 0.25000000000000 0.86791952026777 208.980 > 15 16 Bi 0.10215485949421 0.75000000000000 0.36791952026777 208.980 > 16 *17 Cl 0.10281739373014 0.00686959905295 0.85614862879491 35.453 > 17 *18 Cl 0.57704800705412 0.25000000000000 0.23141646214091 35.453 > 18 19 Cl 0.10281739373014 0.49313040094705 0.85614862879491 35.453 > 19 20 Cl 0.07704800705412 0.25000000000000 0.26858353785909 35.453 > 20 21 Cl 0.89718260626986 0.99313040094705 0.14385137120509 35.453 > 21 22 Cl 0.60281739373014 0.00686959905295 0.64385137120509 35.453 > 22 23 Cl 0.89718260626986 0.50686959905295 0.14385137120509 35.453 > 23 24 Cl 0.39718260626986 0.99313040094705 0.35614862879491 35.453 > 24 25 Cl 0.60281739373014 0.49313040094705 0.64385137120509 35.453 > 25 26 Cl 0.42295199294587 0.75000000000000 0.76858353785909 35.453 > 26 27 Cl 0.39718260626986 0.50686959905295 0.35614862879491 35.453 > 27 28 Cl 0.92295199294588 0.75000000000000 0.73141646214091 35.453 > 28 *29 O 0.57684195789858 0.12293017094502 0.95069085425093 15.999 > 29 30 O 0.42315804210142 0.62293017094502 0.04930914574907 15.999 > 30 31 O 0.92315804210142 0.87706982905498 0.45069085425093 15.999 > 31 *32 O 0.20038911692097 0.25000000000000 0.00836879327344 15.999 > 32 33 O 0.79961088307903 0.75000000000000 0.99163120672656 15.999 > 33 34 O 0.07684195789858 0.37706982905498 0.54930914574907 15.999 > 34 35 O 0.70038911692097 0.25000000000000 0.49163120672656 15.999 > 35 36 O 0.29961088307903 0.75000000000000 0.50836879327344 15.999 > 36 37 O 0.92315804210142 0.62293017094502 0.45069085425093 15.999 > 37 38 O 0.07684195789858 0.12293017094502 0.54930914574907 15.999 > 38 39 O 0.57684195789858 0.37706982905498 0.95069085425093 15.999 > 39 40 O 0.42315804210142 0.87706982905498 0.04930914574907 15.999 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.288975680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.415608040000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.562271000000001 Atomic positions (fractional): *1 Sr 0.16396432033214 0.42955943976043 0.10890688142793 87.620 > 1 2 Sr 0.66396432033214 0.42955943976043 0.10890688142793 87.620 > 1 *3 Sr 0.42028971207146 0.25000000000000 0.03370742892763 87.620 > 2 4 Sr 0.92028971207146 0.25000000000000 0.03370742892763 87.620 > 2 5 Sr 0.41396432033214 0.42955943976043 0.39109311857207 87.620 > 3 6 Sr 0.91396432033214 0.42955943976043 0.39109311857207 87.620 > 3 7 Sr 0.33603567966786 0.57044056023957 0.89109311857207 87.620 > 4 8 Sr 0.83603567966786 0.57044056023957 0.89109311857207 87.620 > 4 9 Sr 0.41396432033214 0.07044056023957 0.39109311857207 87.620 > 5 10 Sr 0.91396432033214 0.07044056023957 0.39109311857207 87.620 > 5 11 Sr 0.08603567966786 0.92955943976043 0.60890688142793 87.620 > 6 12 Sr 0.58603567966786 0.92955943976043 0.60890688142793 87.620 > 6 13 Sr 0.32971028792854 0.75000000000000 0.53370742892763 87.620 > 7 14 Sr 0.82971028792854 0.75000000000000 0.53370742892763 87.620 > 7 15 Sr 0.33603567966786 0.92955943976043 0.89109311857207 87.620 > 8 16 Sr 0.83603567966786 0.92955943976043 0.89109311857207 87.620 > 8 17 Sr 0.16396432033214 0.07044056023957 0.10890688142793 87.620 > 9 18 Sr 0.66396432033214 0.07044056023957 0.10890688142793 87.620 > 9 19 Sr 0.08603567966786 0.57044056023957 0.60890688142793 87.620 > 10 20 Sr 0.58603567966786 0.57044056023957 0.60890688142793 87.620 > 10 21 Sr 0.17028971207146 0.25000000000000 0.46629257107237 87.620 > 11 22 Sr 0.67028971207146 0.25000000000000 0.46629257107237 87.620 > 11 23 Sr 0.07971028792854 0.75000000000000 0.96629257107237 87.620 > 12 24 Sr 0.57971028792854 0.75000000000000 0.96629257107237 87.620 > 12 *25 Bi 0.30107742974711 0.75000000000000 0.13208047973223 208.980 > 13 26 Bi 0.80107742974711 0.75000000000000 0.13208047973223 208.980 > 13 27 Bi 0.44892257025289 0.25000000000000 0.63208047973223 208.980 > 14 28 Bi 0.94892257025289 0.25000000000000 0.63208047973223 208.980 > 14 29 Bi 0.19892257025289 0.25000000000000 0.86791952026777 208.980 > 15 30 Bi 0.69892257025289 0.25000000000000 0.86791952026777 208.980 > 15 31 Bi 0.05107742974711 0.75000000000000 0.36791952026777 208.980 > 16 32 Bi 0.55107742974711 0.75000000000000 0.36791952026777 208.980 > 16 *33 Cl 0.05140869686507 0.00686959905295 0.85614862879491 35.453 > 17 34 Cl 0.55140869686507 0.00686959905295 0.85614862879491 35.453 > 17 *35 Cl 0.28852400352706 0.25000000000000 0.23141646214091 35.453 > 18 36 Cl 0.78852400352706 0.25000000000000 0.23141646214091 35.453 > 18 37 Cl 0.05140869686507 0.49313040094705 0.85614862879491 35.453 > 19 38 Cl 0.55140869686507 0.49313040094705 0.85614862879491 35.453 > 19 39 Cl 0.03852400352706 0.25000000000000 0.26858353785909 35.453 > 20 40 Cl 0.53852400352706 0.25000000000000 0.26858353785909 35.453 > 20 41 Cl 0.44859130313493 0.99313040094705 0.14385137120509 35.453 > 21 42 Cl 0.94859130313493 0.99313040094705 0.14385137120509 35.453 > 21 43 Cl 0.30140869686507 0.00686959905295 0.64385137120509 35.453 > 22 44 Cl 0.80140869686507 0.00686959905295 0.64385137120509 35.453 > 22 45 Cl 0.44859130313493 0.50686959905295 0.14385137120509 35.453 > 23 46 Cl 0.94859130313493 0.50686959905295 0.14385137120509 35.453 > 23 47 Cl 0.19859130313493 0.99313040094705 0.35614862879491 35.453 > 24 48 Cl 0.69859130313493 0.99313040094705 0.35614862879491 35.453 > 24 49 Cl 0.30140869686507 0.49313040094705 0.64385137120509 35.453 > 25 50 Cl 0.80140869686507 0.49313040094705 0.64385137120509 35.453 > 25 51 Cl 0.21147599647294 0.75000000000000 0.76858353785909 35.453 > 26 52 Cl 0.71147599647294 0.75000000000000 0.76858353785909 35.453 > 26 53 Cl 0.19859130313493 0.50686959905295 0.35614862879491 35.453 > 27 54 Cl 0.69859130313493 0.50686959905295 0.35614862879491 35.453 > 27 55 Cl 0.46147599647294 0.75000000000000 0.73141646214091 35.453 > 28 56 Cl 0.96147599647294 0.75000000000000 0.73141646214091 35.453 > 28 *57 O 0.28842097894929 0.12293017094502 0.95069085425093 15.999 > 29 58 O 0.78842097894929 0.12293017094502 0.95069085425093 15.999 > 29 59 O 0.21157902105071 0.62293017094502 0.04930914574907 15.999 > 30 60 O 0.71157902105071 0.62293017094502 0.04930914574907 15.999 > 30 61 O 0.46157902105071 0.87706982905498 0.45069085425093 15.999 > 31 62 O 0.96157902105071 0.87706982905498 0.45069085425093 15.999 > 31 *63 O 0.10019455846048 0.25000000000000 0.00836879327344 15.999 > 32 64 O 0.60019455846048 0.25000000000000 0.00836879327344 15.999 > 32 65 O 0.39980544153952 0.75000000000000 0.99163120672656 15.999 > 33 66 O 0.89980544153952 0.75000000000000 0.99163120672656 15.999 > 33 67 O 0.03842097894929 0.37706982905498 0.54930914574907 15.999 > 34 68 O 0.53842097894929 0.37706982905498 0.54930914574907 15.999 > 34 69 O 0.35019455846048 0.25000000000000 0.49163120672656 15.999 > 35 70 O 0.85019455846048 0.25000000000000 0.49163120672656 15.999 > 35 71 O 0.14980544153952 0.75000000000000 0.50836879327344 15.999 > 36 72 O 0.64980544153952 0.75000000000000 0.50836879327344 15.999 > 36 73 O 0.46157902105071 0.62293017094502 0.45069085425093 15.999 > 37 74 O 0.96157902105071 0.62293017094502 0.45069085425093 15.999 > 37 75 O 0.03842097894929 0.12293017094502 0.54930914574907 15.999 > 38 76 O 0.53842097894929 0.12293017094502 0.54930914574907 15.999 > 38 77 O 0.28842097894929 0.37706982905498 0.95069085425093 15.999 > 39 78 O 0.78842097894929 0.37706982905498 0.95069085425093 15.999 > 39 79 O 0.21157902105071 0.87706982905498 0.04930914574907 15.999 > 40 80 O 0.71157902105071 0.87706982905498 0.04930914574907 15.999 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5993568 0.0000000 0.0000000 0.0000000 3.6413030 0.0000000 0.0000000 0.0000000 3.4833801 -------------------------- Born effective charges -------------------------- 1 Sr 2.2371176 0.0644694 -0.1469989 0.0052529 2.8378557 0.0106703 -0.0566333 0.1108306 2.4507857 2 Sr 3.2556864 -0.0000000 0.2269496 0.0000000 2.1765218 0.0000000 0.0368681 -0.0000000 2.2316374 3 Sr 2.2371176 0.0644694 0.1469989 0.0052529 2.8378557 -0.0106703 0.0566333 -0.1108306 2.4507857 4 Sr 2.2371176 0.0644694 -0.1469989 0.0052529 2.8378557 0.0106703 -0.0566333 0.1108306 2.4507857 5 Sr 2.2371176 -0.0644694 0.1469989 -0.0052529 2.8378557 0.0106703 0.0566333 0.1108306 2.4507857 6 Sr 2.2371176 -0.0644694 0.1469989 -0.0052529 2.8378557 0.0106703 0.0566333 0.1108306 2.4507857 7 Sr 3.2556864 -0.0000000 -0.2269496 0.0000000 2.1765218 0.0000000 -0.0368681 -0.0000000 2.2316374 8 Sr 2.2371176 -0.0644694 -0.1469989 -0.0052529 2.8378557 -0.0106703 -0.0566333 -0.1108306 2.4507857 9 Sr 2.2371176 -0.0644694 -0.1469989 -0.0052529 2.8378557 -0.0106703 -0.0566333 -0.1108306 2.4507857 10 Sr 2.2371176 0.0644694 0.1469989 0.0052529 2.8378557 -0.0106703 0.0566333 -0.1108306 2.4507857 11 Sr 3.2556864 -0.0000000 -0.2269496 0.0000000 2.1765218 0.0000000 -0.0368681 -0.0000000 2.2316374 12 Sr 3.2556864 -0.0000000 0.2269496 0.0000000 2.1765218 0.0000000 0.0368681 -0.0000000 2.2316374 13 Bi 2.7535554 -0.0000000 -0.0507228 0.0000000 3.2594986 0.0000000 -0.0450560 -0.0000000 2.0832578 14 Bi 2.7535554 -0.0000000 0.0507228 0.0000000 3.2594986 0.0000000 0.0450560 -0.0000000 2.0832578 15 Bi 2.7535554 -0.0000000 -0.0507228 0.0000000 3.2594986 0.0000000 -0.0450560 -0.0000000 2.0832578 16 Bi 2.7535554 -0.0000000 0.0507228 0.0000000 3.2594986 0.0000000 0.0450560 -0.0000000 2.0832578 17 Cl -1.3451489 -0.1701895 -0.0054462 -0.1551598 -1.3914137 -0.0052516 -0.0332676 -0.0518617 -1.3020428 18 Cl -1.2612236 -0.0000000 0.0224402 0.0000000 -1.2198847 0.0000000 0.0102080 -0.0000000 -1.3473087 19 Cl -1.3451489 0.1701895 -0.0054462 0.1551598 -1.3914137 0.0052516 -0.0332676 0.0518617 -1.3020428 20 Cl -1.2612236 -0.0000000 -0.0224402 0.0000000 -1.2198847 0.0000000 -0.0102080 -0.0000000 -1.3473087 21 Cl -1.3451489 -0.1701895 -0.0054462 -0.1551598 -1.3914137 -0.0052516 -0.0332676 -0.0518617 -1.3020428 22 Cl -1.3451489 -0.1701895 0.0054462 -0.1551598 -1.3914137 0.0052516 0.0332676 0.0518617 -1.3020428 23 Cl -1.3451489 0.1701895 -0.0054462 0.1551598 -1.3914137 0.0052516 -0.0332676 0.0518617 -1.3020428 24 Cl -1.3451489 -0.1701895 0.0054462 -0.1551598 -1.3914137 0.0052516 0.0332676 0.0518617 -1.3020428 25 Cl -1.3451489 0.1701895 0.0054462 0.1551598 -1.3914137 -0.0052516 0.0332676 -0.0518617 -1.3020428 26 Cl -1.2612236 -0.0000000 0.0224402 0.0000000 -1.2198847 0.0000000 0.0102080 -0.0000000 -1.3473087 27 Cl -1.3451489 0.1701895 0.0054462 0.1551598 -1.3914137 -0.0052516 0.0332676 -0.0518617 -1.3020428 28 Cl -1.2612236 -0.0000000 -0.0224402 0.0000000 -1.2198847 0.0000000 -0.0102080 -0.0000000 -1.3473087 29 O -2.0520252 0.4353694 -0.3891649 0.5389785 -2.6197814 0.4216553 -0.1164996 0.0914742 -1.6218120 30 O -2.0520252 -0.4353694 -0.3891649 -0.5389785 -2.6197814 -0.4216553 -0.1164996 -0.0914742 -1.6218120 31 O -2.0520252 0.4353694 0.3891649 0.5389785 -2.6197814 -0.4216553 0.1164996 -0.0914742 -1.6218120 32 O -2.4279051 -0.0000000 0.8268641 0.0000000 -1.8694571 0.0000000 0.4541242 -0.0000000 -2.0214483 33 O -2.4279051 -0.0000000 0.8268641 0.0000000 -1.8694571 0.0000000 0.4541242 -0.0000000 -2.0214483 34 O -2.0520252 -0.4353694 0.3891649 -0.5389785 -2.6197814 0.4216553 0.1164996 0.0914742 -1.6218120 35 O -2.4279051 -0.0000000 -0.8268641 0.0000000 -1.8694571 0.0000000 -0.4541242 -0.0000000 -2.0214483 36 O -2.4279051 -0.0000000 -0.8268641 0.0000000 -1.8694571 0.0000000 -0.4541242 -0.0000000 -2.0214483 37 O -2.0520252 -0.4353694 0.3891649 -0.5389785 -2.6197814 0.4216553 0.1164996 0.0914742 -1.6218120 38 O -2.0520252 0.4353694 0.3891649 0.5389785 -2.6197814 -0.4216553 0.1164996 -0.0914742 -1.6218120 39 O -2.0520252 -0.4353694 -0.3891649 -0.5389785 -2.6197814 -0.4216553 -0.1164996 -0.0914742 -1.6218120 40 O -2.0520252 0.4353694 -0.3891649 0.5389785 -2.6197814 0.4216553 -0.1164996 0.0914742 -1.6218120 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1922 Number of blocks in projector: 1922 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (1922, 1875), data: False |-- (262, 255), data: True |-- (262, 255), data: True |-- (262, 255), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (464, 450), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.243 Solver_block: 200 / 640 - Time: 2.228 Solver_block: 300 / 640 - Time: 2.250 Solver_block: 400 / 640 - Time: 2.315 Solver_block: 500 / 640 - Time: 2.297 Solver_block: 600 / 640 - Time: 2.341 Solver_block: 640 / 640 - Time: 1.004 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.886 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1922 Number of blocks in projector: 1922 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 464 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (1922, 1875), data: False |-- (262, 255), data: True |-- (262, 255), data: True |-- (262, 255), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (464, 450), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:21:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:21:45]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.644487840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.415608040000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.562271000000001 Atomic positions (fractional): 1 Sr 0.32792864066428 0.42955943976043 0.10890688142793 87.620 2 Sr 0.84057942414291 0.25000000000000 0.03370742892763 87.620 3 Sr 0.82792864066428 0.42955943976043 0.39109311857207 87.620 4 Sr 0.67207135933572 0.57044056023957 0.89109311857207 87.620 5 Sr 0.82792864066428 0.07044056023957 0.39109311857207 87.620 6 Sr 0.17207135933572 0.92955943976043 0.60890688142793 87.620 7 Sr 0.65942057585709 0.75000000000000 0.53370742892763 87.620 8 Sr 0.67207135933572 0.92955943976043 0.89109311857207 87.620 9 Sr 0.32792864066428 0.07044056023957 0.10890688142793 87.620 10 Sr 0.17207135933572 0.57044056023957 0.60890688142793 87.620 11 Sr 0.34057942414291 0.25000000000000 0.46629257107237 87.620 12 Sr 0.15942057585709 0.75000000000000 0.96629257107237 87.620 13 Bi 0.60215485949421 0.75000000000000 0.13208047973223 208.980 14 Bi 0.89784514050579 0.25000000000000 0.63208047973223 208.980 15 Bi 0.39784514050579 0.25000000000000 0.86791952026777 208.980 16 Bi 0.10215485949421 0.75000000000000 0.36791952026777 208.980 17 Cl 0.10281739373014 0.00686959905295 0.85614862879491 35.453 18 Cl 0.57704800705412 0.25000000000000 0.23141646214091 35.453 19 Cl 0.10281739373014 0.49313040094705 0.85614862879491 35.453 20 Cl 0.07704800705412 0.25000000000000 0.26858353785909 35.453 21 Cl 0.89718260626986 0.99313040094705 0.14385137120509 35.453 22 Cl 0.60281739373014 0.00686959905295 0.64385137120509 35.453 23 Cl 0.89718260626986 0.50686959905295 0.14385137120509 35.453 24 Cl 0.39718260626986 0.99313040094705 0.35614862879491 35.453 25 Cl 0.60281739373014 0.49313040094705 0.64385137120509 35.453 26 Cl 0.42295199294587 0.75000000000000 0.76858353785909 35.453 27 Cl 0.39718260626986 0.50686959905295 0.35614862879491 35.453 28 Cl 0.92295199294588 0.75000000000000 0.73141646214091 35.453 29 O 0.57684195789858 0.12293017094502 0.95069085425093 15.999 30 O 0.42315804210142 0.62293017094502 0.04930914574907 15.999 31 O 0.92315804210142 0.87706982905498 0.45069085425093 15.999 32 O 0.20038911692097 0.25000000000000 0.00836879327344 15.999 33 O 0.79961088307903 0.75000000000000 0.99163120672656 15.999 34 O 0.07684195789858 0.37706982905498 0.54930914574907 15.999 35 O 0.70038911692097 0.25000000000000 0.49163120672656 15.999 36 O 0.29961088307903 0.75000000000000 0.50836879327344 15.999 37 O 0.92315804210142 0.62293017094502 0.45069085425093 15.999 38 O 0.07684195789858 0.12293017094502 0.54930914574907 15.999 39 O 0.57684195789858 0.37706982905498 0.95069085425093 15.999 40 O 0.42315804210142 0.87706982905498 0.04930914574907 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.288975680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.415608040000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.562271000000001 Atomic positions (fractional): 1 Sr 0.16396432033214 0.42955943976043 0.10890688142793 87.620 > 1 2 Sr 0.66396432033214 0.42955943976043 0.10890688142793 87.620 > 1 3 Sr 0.42028971207146 0.25000000000000 0.03370742892763 87.620 > 3 4 Sr 0.92028971207146 0.25000000000000 0.03370742892763 87.620 > 3 5 Sr 0.41396432033214 0.42955943976043 0.39109311857207 87.620 > 5 6 Sr 0.91396432033214 0.42955943976043 0.39109311857207 87.620 > 5 7 Sr 0.33603567966786 0.57044056023957 0.89109311857207 87.620 > 7 8 Sr 0.83603567966786 0.57044056023957 0.89109311857207 87.620 > 7 9 Sr 0.41396432033214 0.07044056023957 0.39109311857207 87.620 > 9 10 Sr 0.91396432033214 0.07044056023957 0.39109311857207 87.620 > 9 11 Sr 0.08603567966786 0.92955943976043 0.60890688142793 87.620 > 11 12 Sr 0.58603567966786 0.92955943976043 0.60890688142793 87.620 > 11 13 Sr 0.32971028792854 0.75000000000000 0.53370742892763 87.620 > 13 14 Sr 0.82971028792854 0.75000000000000 0.53370742892763 87.620 > 13 15 Sr 0.33603567966786 0.92955943976043 0.89109311857207 87.620 > 15 16 Sr 0.83603567966786 0.92955943976043 0.89109311857207 87.620 > 15 17 Sr 0.16396432033214 0.07044056023957 0.10890688142793 87.620 > 17 18 Sr 0.66396432033214 0.07044056023957 0.10890688142793 87.620 > 17 19 Sr 0.08603567966786 0.57044056023957 0.60890688142793 87.620 > 19 20 Sr 0.58603567966786 0.57044056023957 0.60890688142793 87.620 > 19 21 Sr 0.17028971207146 0.25000000000000 0.46629257107237 87.620 > 21 22 Sr 0.67028971207146 0.25000000000000 0.46629257107237 87.620 > 21 23 Sr 0.07971028792854 0.75000000000000 0.96629257107237 87.620 > 23 24 Sr 0.57971028792854 0.75000000000000 0.96629257107237 87.620 > 23 25 Bi 0.30107742974711 0.75000000000000 0.13208047973223 208.980 > 25 26 Bi 0.80107742974711 0.75000000000000 0.13208047973223 208.980 > 25 27 Bi 0.44892257025289 0.25000000000000 0.63208047973223 208.980 > 27 28 Bi 0.94892257025289 0.25000000000000 0.63208047973223 208.980 > 27 29 Bi 0.19892257025289 0.25000000000000 0.86791952026777 208.980 > 29 30 Bi 0.69892257025289 0.25000000000000 0.86791952026777 208.980 > 29 31 Bi 0.05107742974711 0.75000000000000 0.36791952026777 208.980 > 31 32 Bi 0.55107742974711 0.75000000000000 0.36791952026777 208.980 > 31 33 Cl 0.05140869686507 0.00686959905295 0.85614862879491 35.453 > 33 34 Cl 0.55140869686507 0.00686959905295 0.85614862879491 35.453 > 33 35 Cl 0.28852400352706 0.25000000000000 0.23141646214091 35.453 > 35 36 Cl 0.78852400352706 0.25000000000000 0.23141646214091 35.453 > 35 37 Cl 0.05140869686507 0.49313040094705 0.85614862879491 35.453 > 37 38 Cl 0.55140869686507 0.49313040094705 0.85614862879491 35.453 > 37 39 Cl 0.03852400352706 0.25000000000000 0.26858353785909 35.453 > 39 40 Cl 0.53852400352706 0.25000000000000 0.26858353785909 35.453 > 39 41 Cl 0.44859130313493 0.99313040094705 0.14385137120509 35.453 > 41 42 Cl 0.94859130313493 0.99313040094705 0.14385137120509 35.453 > 41 43 Cl 0.30140869686507 0.00686959905295 0.64385137120509 35.453 > 43 44 Cl 0.80140869686507 0.00686959905295 0.64385137120509 35.453 > 43 45 Cl 0.44859130313493 0.50686959905295 0.14385137120509 35.453 > 45 46 Cl 0.94859130313493 0.50686959905295 0.14385137120509 35.453 > 45 47 Cl 0.19859130313493 0.99313040094705 0.35614862879491 35.453 > 47 48 Cl 0.69859130313493 0.99313040094705 0.35614862879491 35.453 > 47 49 Cl 0.30140869686507 0.49313040094705 0.64385137120509 35.453 > 49 50 Cl 0.80140869686507 0.49313040094705 0.64385137120509 35.453 > 49 51 Cl 0.21147599647294 0.75000000000000 0.76858353785909 35.453 > 51 52 Cl 0.71147599647294 0.75000000000000 0.76858353785909 35.453 > 51 53 Cl 0.19859130313493 0.50686959905295 0.35614862879491 35.453 > 53 54 Cl 0.69859130313493 0.50686959905295 0.35614862879491 35.453 > 53 55 Cl 0.46147599647294 0.75000000000000 0.73141646214091 35.453 > 55 56 Cl 0.96147599647294 0.75000000000000 0.73141646214091 35.453 > 55 57 O 0.28842097894929 0.12293017094502 0.95069085425093 15.999 > 57 58 O 0.78842097894929 0.12293017094502 0.95069085425093 15.999 > 57 59 O 0.21157902105071 0.62293017094502 0.04930914574907 15.999 > 59 60 O 0.71157902105071 0.62293017094502 0.04930914574907 15.999 > 59 61 O 0.46157902105071 0.87706982905498 0.45069085425093 15.999 > 61 62 O 0.96157902105071 0.87706982905498 0.45069085425093 15.999 > 61 63 O 0.10019455846048 0.25000000000000 0.00836879327344 15.999 > 63 64 O 0.60019455846048 0.25000000000000 0.00836879327344 15.999 > 63 65 O 0.39980544153952 0.75000000000000 0.99163120672656 15.999 > 65 66 O 0.89980544153952 0.75000000000000 0.99163120672656 15.999 > 65 67 O 0.03842097894929 0.37706982905498 0.54930914574907 15.999 > 67 68 O 0.53842097894929 0.37706982905498 0.54930914574907 15.999 > 67 69 O 0.35019455846048 0.25000000000000 0.49163120672656 15.999 > 69 70 O 0.85019455846048 0.25000000000000 0.49163120672656 15.999 > 69 71 O 0.14980544153952 0.75000000000000 0.50836879327344 15.999 > 71 72 O 0.64980544153952 0.75000000000000 0.50836879327344 15.999 > 71 73 O 0.46157902105071 0.62293017094502 0.45069085425093 15.999 > 73 74 O 0.96157902105071 0.62293017094502 0.45069085425093 15.999 > 73 75 O 0.03842097894929 0.12293017094502 0.54930914574907 15.999 > 75 76 O 0.53842097894929 0.12293017094502 0.54930914574907 15.999 > 75 77 O 0.28842097894929 0.37706982905498 0.95069085425093 15.999 > 77 78 O 0.78842097894929 0.37706982905498 0.95069085425093 15.999 > 77 79 O 0.21157902105071 0.87706982905498 0.04930914574907 15.999 > 79 80 O 0.71157902105071 0.87706982905498 0.04930914574907 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5993568 0.0000000 0.0000000 0.0000000 3.6413030 0.0000000 0.0000000 0.0000000 3.4833801 -------------------------- Born effective charges -------------------------- 1 Sr 2.2371176 0.0644694 -0.1469989 0.0052529 2.8378557 0.0106703 -0.0566333 0.1108306 2.4507857 2 Sr 3.2556864 -0.0000000 0.2269496 0.0000000 2.1765218 0.0000000 0.0368681 -0.0000000 2.2316374 3 Sr 2.2371176 0.0644694 0.1469989 0.0052529 2.8378557 -0.0106703 0.0566333 -0.1108306 2.4507857 4 Sr 2.2371176 0.0644694 -0.1469989 0.0052529 2.8378557 0.0106703 -0.0566333 0.1108306 2.4507857 5 Sr 2.2371176 -0.0644694 0.1469989 -0.0052529 2.8378557 0.0106703 0.0566333 0.1108306 2.4507857 6 Sr 2.2371176 -0.0644694 0.1469989 -0.0052529 2.8378557 0.0106703 0.0566333 0.1108306 2.4507857 7 Sr 3.2556864 -0.0000000 -0.2269496 0.0000000 2.1765218 0.0000000 -0.0368681 -0.0000000 2.2316374 8 Sr 2.2371176 -0.0644694 -0.1469989 -0.0052529 2.8378557 -0.0106703 -0.0566333 -0.1108306 2.4507857 9 Sr 2.2371176 -0.0644694 -0.1469989 -0.0052529 2.8378557 -0.0106703 -0.0566333 -0.1108306 2.4507857 10 Sr 2.2371176 0.0644694 0.1469989 0.0052529 2.8378557 -0.0106703 0.0566333 -0.1108306 2.4507857 11 Sr 3.2556864 -0.0000000 -0.2269496 0.0000000 2.1765218 0.0000000 -0.0368681 -0.0000000 2.2316374 12 Sr 3.2556864 -0.0000000 0.2269496 0.0000000 2.1765218 0.0000000 0.0368681 -0.0000000 2.2316374 13 Bi 2.7535554 -0.0000000 -0.0507228 0.0000000 3.2594986 0.0000000 -0.0450560 -0.0000000 2.0832578 14 Bi 2.7535554 -0.0000000 0.0507228 0.0000000 3.2594986 0.0000000 0.0450560 -0.0000000 2.0832578 15 Bi 2.7535554 -0.0000000 -0.0507228 0.0000000 3.2594986 0.0000000 -0.0450560 -0.0000000 2.0832578 16 Bi 2.7535554 -0.0000000 0.0507228 0.0000000 3.2594986 0.0000000 0.0450560 -0.0000000 2.0832578 17 Cl -1.3451489 -0.1701895 -0.0054462 -0.1551598 -1.3914137 -0.0052516 -0.0332676 -0.0518617 -1.3020428 18 Cl -1.2612236 -0.0000000 0.0224402 0.0000000 -1.2198847 0.0000000 0.0102080 -0.0000000 -1.3473087 19 Cl -1.3451489 0.1701895 -0.0054462 0.1551598 -1.3914137 0.0052516 -0.0332676 0.0518617 -1.3020428 20 Cl -1.2612236 -0.0000000 -0.0224402 0.0000000 -1.2198847 0.0000000 -0.0102080 -0.0000000 -1.3473087 21 Cl -1.3451489 -0.1701895 -0.0054462 -0.1551598 -1.3914137 -0.0052516 -0.0332676 -0.0518617 -1.3020428 22 Cl -1.3451489 -0.1701895 0.0054462 -0.1551598 -1.3914137 0.0052516 0.0332676 0.0518617 -1.3020428 23 Cl -1.3451489 0.1701895 -0.0054462 0.1551598 -1.3914137 0.0052516 -0.0332676 0.0518617 -1.3020428 24 Cl -1.3451489 -0.1701895 0.0054462 -0.1551598 -1.3914137 0.0052516 0.0332676 0.0518617 -1.3020428 25 Cl -1.3451489 0.1701895 0.0054462 0.1551598 -1.3914137 -0.0052516 0.0332676 -0.0518617 -1.3020428 26 Cl -1.2612236 -0.0000000 0.0224402 0.0000000 -1.2198847 0.0000000 0.0102080 -0.0000000 -1.3473087 27 Cl -1.3451489 0.1701895 0.0054462 0.1551598 -1.3914137 -0.0052516 0.0332676 -0.0518617 -1.3020428 28 Cl -1.2612236 -0.0000000 -0.0224402 0.0000000 -1.2198847 0.0000000 -0.0102080 -0.0000000 -1.3473087 29 O -2.0520252 0.4353694 -0.3891649 0.5389785 -2.6197814 0.4216553 -0.1164996 0.0914742 -1.6218120 30 O -2.0520252 -0.4353694 -0.3891649 -0.5389785 -2.6197814 -0.4216553 -0.1164996 -0.0914742 -1.6218120 31 O -2.0520252 0.4353694 0.3891649 0.5389785 -2.6197814 -0.4216553 0.1164996 -0.0914742 -1.6218120 32 O -2.4279051 -0.0000000 0.8268641 0.0000000 -1.8694571 0.0000000 0.4541242 -0.0000000 -2.0214483 33 O -2.4279051 -0.0000000 0.8268641 0.0000000 -1.8694571 0.0000000 0.4541242 -0.0000000 -2.0214483 34 O -2.0520252 -0.4353694 0.3891649 -0.5389785 -2.6197814 0.4216553 0.1164996 0.0914742 -1.6218120 35 O -2.4279051 -0.0000000 -0.8268641 0.0000000 -1.8694571 0.0000000 -0.4541242 -0.0000000 -2.0214483 36 O -2.4279051 -0.0000000 -0.8268641 0.0000000 -1.8694571 0.0000000 -0.4541242 -0.0000000 -2.0214483 37 O -2.0520252 -0.4353694 0.3891649 -0.5389785 -2.6197814 0.4216553 0.1164996 0.0914742 -1.6218120 38 O -2.0520252 0.4353694 0.3891649 0.5389785 -2.6197814 -0.4216553 0.1164996 -0.0914742 -1.6218120 39 O -2.0520252 -0.4353694 -0.3891649 -0.5389785 -2.6197814 -0.4216553 -0.1164996 -0.0914742 -1.6218120 40 O -2.0520252 0.4353694 -0.3891649 0.5389785 -2.6197814 0.4216553 -0.1164996 0.0914742 -1.6218120 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xzx) -0.00000001 (xzx) -0.00000001 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:22:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:22:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.644487840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.415608040000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.562271000000001 Atomic positions (fractional): 1 Sr 0.32792864066428 0.42955943976043 0.10890688142793 87.620 2 Sr 0.84057942414291 0.25000000000000 0.03370742892763 87.620 3 Sr 0.82792864066428 0.42955943976043 0.39109311857207 87.620 4 Sr 0.67207135933572 0.57044056023957 0.89109311857207 87.620 5 Sr 0.82792864066428 0.07044056023957 0.39109311857207 87.620 6 Sr 0.17207135933572 0.92955943976043 0.60890688142793 87.620 7 Sr 0.65942057585709 0.75000000000000 0.53370742892763 87.620 8 Sr 0.67207135933572 0.92955943976043 0.89109311857207 87.620 9 Sr 0.32792864066428 0.07044056023957 0.10890688142793 87.620 10 Sr 0.17207135933572 0.57044056023957 0.60890688142793 87.620 11 Sr 0.34057942414291 0.25000000000000 0.46629257107237 87.620 12 Sr 0.15942057585709 0.75000000000000 0.96629257107237 87.620 13 Bi 0.60215485949421 0.75000000000000 0.13208047973223 208.980 14 Bi 0.89784514050579 0.25000000000000 0.63208047973223 208.980 15 Bi 0.39784514050579 0.25000000000000 0.86791952026777 208.980 16 Bi 0.10215485949421 0.75000000000000 0.36791952026777 208.980 17 Cl 0.10281739373014 0.00686959905295 0.85614862879491 35.453 18 Cl 0.57704800705412 0.25000000000000 0.23141646214091 35.453 19 Cl 0.10281739373014 0.49313040094705 0.85614862879491 35.453 20 Cl 0.07704800705412 0.25000000000000 0.26858353785909 35.453 21 Cl 0.89718260626986 0.99313040094705 0.14385137120509 35.453 22 Cl 0.60281739373014 0.00686959905295 0.64385137120509 35.453 23 Cl 0.89718260626986 0.50686959905295 0.14385137120509 35.453 24 Cl 0.39718260626986 0.99313040094705 0.35614862879491 35.453 25 Cl 0.60281739373014 0.49313040094705 0.64385137120509 35.453 26 Cl 0.42295199294587 0.75000000000000 0.76858353785909 35.453 27 Cl 0.39718260626986 0.50686959905295 0.35614862879491 35.453 28 Cl 0.92295199294588 0.75000000000000 0.73141646214091 35.453 29 O 0.57684195789858 0.12293017094502 0.95069085425093 15.999 30 O 0.42315804210142 0.62293017094502 0.04930914574907 15.999 31 O 0.92315804210142 0.87706982905498 0.45069085425093 15.999 32 O 0.20038911692097 0.25000000000000 0.00836879327344 15.999 33 O 0.79961088307903 0.75000000000000 0.99163120672656 15.999 34 O 0.07684195789858 0.37706982905498 0.54930914574907 15.999 35 O 0.70038911692097 0.25000000000000 0.49163120672656 15.999 36 O 0.29961088307903 0.75000000000000 0.50836879327344 15.999 37 O 0.92315804210142 0.62293017094502 0.45069085425093 15.999 38 O 0.07684195789858 0.12293017094502 0.54930914574907 15.999 39 O 0.57684195789858 0.37706982905498 0.95069085425093 15.999 40 O 0.42315804210142 0.87706982905498 0.04930914574907 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.288975680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.415608040000002 0.000000000000000 c 0.000000000000000 0.000000000000000 11.562271000000001 Atomic positions (fractional): 1 Sr 0.16396432033214 0.42955943976043 0.10890688142793 87.620 > 1 2 Sr 0.66396432033214 0.42955943976043 0.10890688142793 87.620 > 1 3 Sr 0.42028971207146 0.25000000000000 0.03370742892763 87.620 > 3 4 Sr 0.92028971207146 0.25000000000000 0.03370742892763 87.620 > 3 5 Sr 0.41396432033214 0.42955943976043 0.39109311857207 87.620 > 5 6 Sr 0.91396432033214 0.42955943976043 0.39109311857207 87.620 > 5 7 Sr 0.33603567966786 0.57044056023957 0.89109311857207 87.620 > 7 8 Sr 0.83603567966786 0.57044056023957 0.89109311857207 87.620 > 7 9 Sr 0.41396432033214 0.07044056023957 0.39109311857207 87.620 > 9 10 Sr 0.91396432033214 0.07044056023957 0.39109311857207 87.620 > 9 11 Sr 0.08603567966786 0.92955943976043 0.60890688142793 87.620 > 11 12 Sr 0.58603567966786 0.92955943976043 0.60890688142793 87.620 > 11 13 Sr 0.32971028792854 0.75000000000000 0.53370742892763 87.620 > 13 14 Sr 0.82971028792854 0.75000000000000 0.53370742892763 87.620 > 13 15 Sr 0.33603567966786 0.92955943976043 0.89109311857207 87.620 > 15 16 Sr 0.83603567966786 0.92955943976043 0.89109311857207 87.620 > 15 17 Sr 0.16396432033214 0.07044056023957 0.10890688142793 87.620 > 17 18 Sr 0.66396432033214 0.07044056023957 0.10890688142793 87.620 > 17 19 Sr 0.08603567966786 0.57044056023957 0.60890688142793 87.620 > 19 20 Sr 0.58603567966786 0.57044056023957 0.60890688142793 87.620 > 19 21 Sr 0.17028971207146 0.25000000000000 0.46629257107237 87.620 > 21 22 Sr 0.67028971207146 0.25000000000000 0.46629257107237 87.620 > 21 23 Sr 0.07971028792854 0.75000000000000 0.96629257107237 87.620 > 23 24 Sr 0.57971028792854 0.75000000000000 0.96629257107237 87.620 > 23 25 Bi 0.30107742974711 0.75000000000000 0.13208047973223 208.980 > 25 26 Bi 0.80107742974711 0.75000000000000 0.13208047973223 208.980 > 25 27 Bi 0.44892257025289 0.25000000000000 0.63208047973223 208.980 > 27 28 Bi 0.94892257025289 0.25000000000000 0.63208047973223 208.980 > 27 29 Bi 0.19892257025289 0.25000000000000 0.86791952026777 208.980 > 29 30 Bi 0.69892257025289 0.25000000000000 0.86791952026777 208.980 > 29 31 Bi 0.05107742974711 0.75000000000000 0.36791952026777 208.980 > 31 32 Bi 0.55107742974711 0.75000000000000 0.36791952026777 208.980 > 31 33 Cl 0.05140869686507 0.00686959905295 0.85614862879491 35.453 > 33 34 Cl 0.55140869686507 0.00686959905295 0.85614862879491 35.453 > 33 35 Cl 0.28852400352706 0.25000000000000 0.23141646214091 35.453 > 35 36 Cl 0.78852400352706 0.25000000000000 0.23141646214091 35.453 > 35 37 Cl 0.05140869686507 0.49313040094705 0.85614862879491 35.453 > 37 38 Cl 0.55140869686507 0.49313040094705 0.85614862879491 35.453 > 37 39 Cl 0.03852400352706 0.25000000000000 0.26858353785909 35.453 > 39 40 Cl 0.53852400352706 0.25000000000000 0.26858353785909 35.453 > 39 41 Cl 0.44859130313493 0.99313040094705 0.14385137120509 35.453 > 41 42 Cl 0.94859130313493 0.99313040094705 0.14385137120509 35.453 > 41 43 Cl 0.30140869686507 0.00686959905295 0.64385137120509 35.453 > 43 44 Cl 0.80140869686507 0.00686959905295 0.64385137120509 35.453 > 43 45 Cl 0.44859130313493 0.50686959905295 0.14385137120509 35.453 > 45 46 Cl 0.94859130313493 0.50686959905295 0.14385137120509 35.453 > 45 47 Cl 0.19859130313493 0.99313040094705 0.35614862879491 35.453 > 47 48 Cl 0.69859130313493 0.99313040094705 0.35614862879491 35.453 > 47 49 Cl 0.30140869686507 0.49313040094705 0.64385137120509 35.453 > 49 50 Cl 0.80140869686507 0.49313040094705 0.64385137120509 35.453 > 49 51 Cl 0.21147599647294 0.75000000000000 0.76858353785909 35.453 > 51 52 Cl 0.71147599647294 0.75000000000000 0.76858353785909 35.453 > 51 53 Cl 0.19859130313493 0.50686959905295 0.35614862879491 35.453 > 53 54 Cl 0.69859130313493 0.50686959905295 0.35614862879491 35.453 > 53 55 Cl 0.46147599647294 0.75000000000000 0.73141646214091 35.453 > 55 56 Cl 0.96147599647294 0.75000000000000 0.73141646214091 35.453 > 55 57 O 0.28842097894929 0.12293017094502 0.95069085425093 15.999 > 57 58 O 0.78842097894929 0.12293017094502 0.95069085425093 15.999 > 57 59 O 0.21157902105071 0.62293017094502 0.04930914574907 15.999 > 59 60 O 0.71157902105071 0.62293017094502 0.04930914574907 15.999 > 59 61 O 0.46157902105071 0.87706982905498 0.45069085425093 15.999 > 61 62 O 0.96157902105071 0.87706982905498 0.45069085425093 15.999 > 61 63 O 0.10019455846048 0.25000000000000 0.00836879327344 15.999 > 63 64 O 0.60019455846048 0.25000000000000 0.00836879327344 15.999 > 63 65 O 0.39980544153952 0.75000000000000 0.99163120672656 15.999 > 65 66 O 0.89980544153952 0.75000000000000 0.99163120672656 15.999 > 65 67 O 0.03842097894929 0.37706982905498 0.54930914574907 15.999 > 67 68 O 0.53842097894929 0.37706982905498 0.54930914574907 15.999 > 67 69 O 0.35019455846048 0.25000000000000 0.49163120672656 15.999 > 69 70 O 0.85019455846048 0.25000000000000 0.49163120672656 15.999 > 69 71 O 0.14980544153952 0.75000000000000 0.50836879327344 15.999 > 71 72 O 0.64980544153952 0.75000000000000 0.50836879327344 15.999 > 71 73 O 0.46157902105071 0.62293017094502 0.45069085425093 15.999 > 73 74 O 0.96157902105071 0.62293017094502 0.45069085425093 15.999 > 73 75 O 0.03842097894929 0.12293017094502 0.54930914574907 15.999 > 75 76 O 0.53842097894929 0.12293017094502 0.54930914574907 15.999 > 75 77 O 0.28842097894929 0.37706982905498 0.95069085425093 15.999 > 77 78 O 0.78842097894929 0.37706982905498 0.95069085425093 15.999 > 77 79 O 0.21157902105071 0.87706982905498 0.04930914574907 15.999 > 79 80 O 0.71157902105071 0.87706982905498 0.04930914574907 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5993568 0.0000000 0.0000000 0.0000000 3.6413030 0.0000000 0.0000000 0.0000000 3.4833801 -------------------------- Born effective charges -------------------------- 1 Sr 2.2371176 0.0644694 -0.1469989 0.0052529 2.8378557 0.0106703 -0.0566333 0.1108306 2.4507857 2 Sr 3.2556864 -0.0000000 0.2269496 0.0000000 2.1765218 0.0000000 0.0368681 -0.0000000 2.2316374 3 Sr 2.2371176 0.0644694 0.1469989 0.0052529 2.8378557 -0.0106703 0.0566333 -0.1108306 2.4507857 4 Sr 2.2371176 0.0644694 -0.1469989 0.0052529 2.8378557 0.0106703 -0.0566333 0.1108306 2.4507857 5 Sr 2.2371176 -0.0644694 0.1469989 -0.0052529 2.8378557 0.0106703 0.0566333 0.1108306 2.4507857 6 Sr 2.2371176 -0.0644694 0.1469989 -0.0052529 2.8378557 0.0106703 0.0566333 0.1108306 2.4507857 7 Sr 3.2556864 -0.0000000 -0.2269496 0.0000000 2.1765218 0.0000000 -0.0368681 -0.0000000 2.2316374 8 Sr 2.2371176 -0.0644694 -0.1469989 -0.0052529 2.8378557 -0.0106703 -0.0566333 -0.1108306 2.4507857 9 Sr 2.2371176 -0.0644694 -0.1469989 -0.0052529 2.8378557 -0.0106703 -0.0566333 -0.1108306 2.4507857 10 Sr 2.2371176 0.0644694 0.1469989 0.0052529 2.8378557 -0.0106703 0.0566333 -0.1108306 2.4507857 11 Sr 3.2556864 -0.0000000 -0.2269496 0.0000000 2.1765218 0.0000000 -0.0368681 -0.0000000 2.2316374 12 Sr 3.2556864 -0.0000000 0.2269496 0.0000000 2.1765218 0.0000000 0.0368681 -0.0000000 2.2316374 13 Bi 2.7535554 -0.0000000 -0.0507228 0.0000000 3.2594986 0.0000000 -0.0450560 -0.0000000 2.0832578 14 Bi 2.7535554 -0.0000000 0.0507228 0.0000000 3.2594986 0.0000000 0.0450560 -0.0000000 2.0832578 15 Bi 2.7535554 -0.0000000 -0.0507228 0.0000000 3.2594986 0.0000000 -0.0450560 -0.0000000 2.0832578 16 Bi 2.7535554 -0.0000000 0.0507228 0.0000000 3.2594986 0.0000000 0.0450560 -0.0000000 2.0832578 17 Cl -1.3451489 -0.1701895 -0.0054462 -0.1551598 -1.3914137 -0.0052516 -0.0332676 -0.0518617 -1.3020428 18 Cl -1.2612236 -0.0000000 0.0224402 0.0000000 -1.2198847 0.0000000 0.0102080 -0.0000000 -1.3473087 19 Cl -1.3451489 0.1701895 -0.0054462 0.1551598 -1.3914137 0.0052516 -0.0332676 0.0518617 -1.3020428 20 Cl -1.2612236 -0.0000000 -0.0224402 0.0000000 -1.2198847 0.0000000 -0.0102080 -0.0000000 -1.3473087 21 Cl -1.3451489 -0.1701895 -0.0054462 -0.1551598 -1.3914137 -0.0052516 -0.0332676 -0.0518617 -1.3020428 22 Cl -1.3451489 -0.1701895 0.0054462 -0.1551598 -1.3914137 0.0052516 0.0332676 0.0518617 -1.3020428 23 Cl -1.3451489 0.1701895 -0.0054462 0.1551598 -1.3914137 0.0052516 -0.0332676 0.0518617 -1.3020428 24 Cl -1.3451489 -0.1701895 0.0054462 -0.1551598 -1.3914137 0.0052516 0.0332676 0.0518617 -1.3020428 25 Cl -1.3451489 0.1701895 0.0054462 0.1551598 -1.3914137 -0.0052516 0.0332676 -0.0518617 -1.3020428 26 Cl -1.2612236 -0.0000000 0.0224402 0.0000000 -1.2198847 0.0000000 0.0102080 -0.0000000 -1.3473087 27 Cl -1.3451489 0.1701895 0.0054462 0.1551598 -1.3914137 -0.0052516 0.0332676 -0.0518617 -1.3020428 28 Cl -1.2612236 -0.0000000 -0.0224402 0.0000000 -1.2198847 0.0000000 -0.0102080 -0.0000000 -1.3473087 29 O -2.0520252 0.4353694 -0.3891649 0.5389785 -2.6197814 0.4216553 -0.1164996 0.0914742 -1.6218120 30 O -2.0520252 -0.4353694 -0.3891649 -0.5389785 -2.6197814 -0.4216553 -0.1164996 -0.0914742 -1.6218120 31 O -2.0520252 0.4353694 0.3891649 0.5389785 -2.6197814 -0.4216553 0.1164996 -0.0914742 -1.6218120 32 O -2.4279051 -0.0000000 0.8268641 0.0000000 -1.8694571 0.0000000 0.4541242 -0.0000000 -2.0214483 33 O -2.4279051 -0.0000000 0.8268641 0.0000000 -1.8694571 0.0000000 0.4541242 -0.0000000 -2.0214483 34 O -2.0520252 -0.4353694 0.3891649 -0.5389785 -2.6197814 0.4216553 0.1164996 0.0914742 -1.6218120 35 O -2.4279051 -0.0000000 -0.8268641 0.0000000 -1.8694571 0.0000000 -0.4541242 -0.0000000 -2.0214483 36 O -2.4279051 -0.0000000 -0.8268641 0.0000000 -1.8694571 0.0000000 -0.4541242 -0.0000000 -2.0214483 37 O -2.0520252 -0.4353694 0.3891649 -0.5389785 -2.6197814 0.4216553 0.1164996 0.0914742 -1.6218120 38 O -2.0520252 0.4353694 0.3891649 0.5389785 -2.6197814 -0.4216553 0.1164996 -0.0914742 -1.6218120 39 O -2.0520252 -0.4353694 -0.3891649 -0.5389785 -2.6197814 -0.4216553 -0.1164996 -0.0914742 -1.6218120 40 O -2.0520252 0.4353694 -0.3891649 0.5389785 -2.6197814 0.4216553 -0.1164996 0.0914742 -1.6218120 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xzx) -0.00000001 (xzx) -0.00000001 (xxz) 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 ... [ 8 4 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 283, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 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 0.775 ( 0.000 0.000 0.000) 0.000 1.130 ( 0.000 0.000 0.000) 0.000 1.367 ( 0.000 0.000 0.000) 0.000 1.460 ( 0.000 0.000 0.000) 0.000 1.659 ( 0.000 0.000 0.000) 0.000 1.772 ( 0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 0.000) 0.000 1.838 ( 0.000 0.000 0.000) 0.000 1.944 ( 0.000 0.000 0.000) 0.000 1.946 ( 0.000 0.000 0.000) 0.000 1.978 ( 0.000 0.000 0.000) 0.000 2.017 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 0.000 0.000) 0.000 2.426 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.623 ( 0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.051 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.219 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.600 ( 0.000 0.000 0.000) 0.000 3.609 ( 0.000 0.000 0.000) 0.000 3.710 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.770 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 3.915 ( 0.000 0.000 0.000) 0.000 4.115 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.179 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.465 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.529 ( 0.000 0.000 0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.737 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 5.224 ( 0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.405 ( 0.000 0.000 0.000) 0.000 5.747 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 5.858 ( 0.000 0.000 0.000) 0.000 5.900 ( 0.000 0.000 0.000) 0.000 6.147 ( 0.000 0.000 0.000) 0.000 6.774 ( 0.000 0.000 0.000) 0.000 6.777 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.008 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.606 ( 0.000 0.000 0.000) 0.000 7.652 ( 0.000 0.000 0.000) 0.000 7.819 ( 0.000 0.000 0.000) 0.000 7.883 ( 0.000 0.000 0.000) 0.000 9.001 ( 0.000 0.000 0.000) 0.000 9.019 ( 0.000 0.000 0.000) 0.000 9.131 ( 0.000 0.000 0.000) 0.000 9.188 ( 0.000 0.000 0.000) 0.000 10.146 ( 0.000 0.000 0.000) 0.000 10.274 ( 0.000 0.000 0.000) 0.000 10.284 ( 0.000 0.000 0.000) 0.000 10.334 ( 0.000 0.000 0.000) 0.000 10.416 ( 0.000 0.000 0.000) 0.000 10.507 ( 0.000 0.000 0.000) 0.000 10.765 ( 0.000 0.000 0.000) 0.000 10.827 ( 0.000 0.000 0.000) 0.000 11.460 ( 0.000 0.000 0.000) 0.000 11.523 ( 0.000 0.000 0.000) 0.000 11.604 ( 0.000 0.000 0.000) 0.000 12.080 ( 0.000 0.000 0.000) 0.000 15.324 ( 0.000 0.000 0.000) 0.000 15.348 ( 0.000 0.000 0.000) 0.000 16.035 ( 0.000 0.000 0.000) 0.000 16.049 ( 0.000 0.000 0.000) 0.000 16.135 ( 0.000 0.000 0.000) 0.000 16.170 ( 0.000 0.000 0.000) 0.000 16.381 ( 0.000 0.000 0.000) 0.000 16.582 ( 0.000 0.000 0.000) 0.000 17.904 ( 0.000 0.000 0.000) 0.000 18.057 ( 0.000 0.000 0.000) 0.000 18.290 ( 0.000 0.000 0.000) 0.000 18.405 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( 15.841 0.000 0.000) 15.841 0.304 ( 14.518 0.000 0.000) 14.518 0.780 ( 39.636 0.000 0.000) 39.636 0.831 ( 5.530 0.000 0.000) 5.530 1.161 ( 4.065 0.000 0.000) 4.065 1.465 ( 9.121 0.000 0.000) 9.121 1.576 ( -8.785 0.000 0.000) 8.785 1.592 ( 11.606 0.000 0.000) 11.606 1.758 ( -4.431 0.000 0.000) 4.431 1.767 ( -5.797 0.000 0.000) 5.797 1.806 ( 3.487 0.000 0.000) 3.487 1.915 ( -2.519 0.000 0.000) 2.519 1.984 ( -3.015 0.000 0.000) 3.015 1.996 ( 4.635 0.000 0.000) 4.635 1.997 ( -0.088 0.000 0.000) 0.088 2.031 ( -1.777 0.000 0.000) 1.777 2.132 ( -13.894 0.000 0.000) 13.894 2.142 ( -0.780 0.000 0.000) 0.780 2.179 ( -1.226 0.000 0.000) 1.226 2.180 ( 3.372 0.000 0.000) 3.372 2.299 ( 5.699 0.000 0.000) 5.699 2.397 ( -2.793 0.000 0.000) 2.793 2.398 ( -5.328 0.000 0.000) 5.328 2.671 ( -4.217 0.000 0.000) 4.217 2.702 ( -3.074 0.000 0.000) 3.074 2.709 ( -8.144 0.000 0.000) 8.144 2.719 ( 6.561 0.000 0.000) 6.561 2.855 ( 5.242 0.000 0.000) 5.242 2.911 ( -1.335 0.000 0.000) 1.335 2.911 ( -4.679 0.000 0.000) 4.679 2.981 ( -6.657 0.000 0.000) 6.657 2.982 ( -5.797 0.000 0.000) 5.797 3.160 ( -1.056 0.000 0.000) 1.056 3.167 ( -2.773 0.000 0.000) 2.773 3.218 ( -0.133 0.000 0.000) 0.133 3.266 ( 4.666 0.000 0.000) 4.666 3.300 ( -2.360 0.000 0.000) 2.360 3.367 ( -0.568 0.000 0.000) 0.568 3.421 ( 2.472 0.000 0.000) 2.472 3.489 ( -4.696 0.000 0.000) 4.696 3.500 ( 1.582 0.000 0.000) 1.582 3.551 ( 2.131 0.000 0.000) 2.131 3.680 ( 1.017 0.000 0.000) 1.017 3.693 ( -0.267 0.000 0.000) 0.267 3.731 ( 0.207 0.000 0.000) 0.207 3.799 ( 9.385 0.000 0.000) 9.385 3.806 ( 3.921 0.000 0.000) 3.921 3.850 ( -3.044 0.000 0.000) 3.044 3.895 ( 4.353 0.000 0.000) 4.353 3.906 ( 6.327 0.000 0.000) 6.327 3.981 ( 5.470 0.000 0.000) 5.470 4.170 ( -2.176 0.000 0.000) 2.176 4.174 ( 3.331 0.000 0.000) 3.331 4.188 ( 6.852 0.000 0.000) 6.852 4.258 ( 3.757 0.000 0.000) 3.757 4.397 ( 0.425 0.000 0.000) 0.425 4.409 ( -8.581 0.000 0.000) 8.581 4.432 ( 0.155 0.000 0.000) 0.155 4.448 ( 10.403 0.000 0.000) 10.403 4.521 ( 4.392 0.000 0.000) 4.392 4.521 ( 1.751 0.000 0.000) 1.751 4.543 ( 1.147 0.000 0.000) 1.147 4.581 ( 4.343 0.000 0.000) 4.343 4.730 ( -0.558 0.000 0.000) 0.558 4.732 ( 1.354 0.000 0.000) 1.354 4.905 ( 3.751 0.000 0.000) 3.751 5.010 ( -2.917 0.000 0.000) 2.917 5.042 ( 0.010 0.000 0.000) 0.010 5.109 ( -2.372 0.000 0.000) 2.372 5.174 ( -6.485 0.000 0.000) 6.485 5.239 ( 1.386 0.000 0.000) 1.386 5.260 ( -0.937 0.000 0.000) 0.937 5.394 ( -1.179 0.000 0.000) 1.179 5.395 ( 3.630 0.000 0.000) 3.630 5.413 ( 1.092 0.000 0.000) 1.092 5.598 ( -13.953 0.000 0.000) 13.953 5.716 ( -2.537 0.000 0.000) 2.537 5.783 ( -2.107 0.000 0.000) 2.107 5.827 ( 5.383 0.000 0.000) 5.383 5.930 ( 3.053 0.000 0.000) 3.053 6.070 ( -7.081 0.000 0.000) 7.081 6.127 ( 7.776 0.000 0.000) 7.776 6.726 ( -4.770 0.000 0.000) 4.770 6.738 ( -4.457 0.000 0.000) 4.457 6.998 ( -0.065 0.000 0.000) 0.065 7.003 ( -0.486 0.000 0.000) 0.486 7.290 ( -0.595 0.000 0.000) 0.595 7.317 ( -0.821 0.000 0.000) 0.821 7.645 ( 3.421 0.000 0.000) 3.421 7.859 ( 3.530 0.000 0.000) 3.530 7.881 ( -0.257 0.000 0.000) 0.257 8.428 ( -7.356 0.000 0.000) 7.356 9.002 ( 0.164 0.000 0.000) 0.164 9.021 ( 0.285 0.000 0.000) 0.285 9.130 ( -0.179 0.000 0.000) 0.179 9.187 ( -0.184 0.000 0.000) 0.184 10.151 ( 0.772 0.000 0.000) 0.772 10.278 ( 0.448 0.000 0.000) 0.448 10.301 ( 1.734 0.000 0.000) 1.734 10.358 ( 2.355 0.000 0.000) 2.355 10.411 ( -0.279 0.000 0.000) 0.279 10.496 ( -1.074 0.000 0.000) 1.074 10.742 ( -2.390 0.000 0.000) 2.390 10.803 ( -10.112 0.000 0.000) 10.112 11.549 ( 3.232 0.000 0.000) 3.232 11.559 ( 8.060 0.000 0.000) 8.060 11.699 ( 8.496 0.000 0.000) 8.496 12.678 ( -4.920 0.000 0.000) 4.920 15.330 ( 0.639 0.000 0.000) 0.639 15.355 ( 0.691 0.000 0.000) 0.691 16.060 ( 2.663 0.000 0.000) 2.663 16.081 ( 3.209 0.000 0.000) 3.209 16.151 ( -1.896 0.000 0.000) 1.896 16.188 ( 5.427 0.000 0.000) 5.427 16.522 ( -6.054 0.000 0.000) 6.054 17.388 ( -8.650 0.000 0.000) 8.650 17.929 ( 2.540 0.000 0.000) 2.540 18.072 ( 1.639 0.000 0.000) 1.639 18.314 ( 1.931 0.000 0.000) 1.931 18.383 ( -2.338 0.000 0.000) 2.338 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 7.292 0.000 0.000) 7.292 0.601 ( 17.435 0.000 0.000) 17.435 0.950 ( 5.796 0.000 0.000) 5.796 1.288 ( 8.937 0.000 0.000) 8.937 1.397 ( -7.455 0.000 0.000) 7.455 1.424 ( 24.953 0.000 0.000) 24.953 1.596 ( -13.148 0.000 0.000) 13.148 1.615 ( 1.796 0.000 0.000) 1.796 1.681 ( -0.220 0.000 0.000) 0.220 1.752 ( 1.633 0.000 0.000) 1.633 1.858 ( -3.393 0.000 0.000) 3.393 1.915 ( 7.898 0.000 0.000) 7.898 1.925 ( -5.633 0.000 0.000) 5.633 1.963 ( 0.620 0.000 0.000) 0.620 1.998 ( -1.703 0.000 0.000) 1.703 2.001 ( 4.113 0.000 0.000) 4.113 2.095 ( 5.439 0.000 0.000) 5.439 2.113 ( -2.294 0.000 0.000) 2.294 2.185 ( 1.500 0.000 0.000) 1.500 2.233 ( 2.101 0.000 0.000) 2.101 2.278 ( -6.729 0.000 0.000) 6.729 2.364 ( 1.737 0.000 0.000) 1.737 2.408 ( 5.163 0.000 0.000) 5.163 2.623 ( -5.699 0.000 0.000) 5.699 2.628 ( -0.190 0.000 0.000) 0.190 2.636 ( 0.947 0.000 0.000) 0.947 2.716 ( -8.628 0.000 0.000) 8.628 2.812 ( -4.042 0.000 0.000) 4.042 2.834 ( -7.993 0.000 0.000) 7.993 2.847 ( -4.182 0.000 0.000) 4.182 2.916 ( 2.397 0.000 0.000) 2.397 2.963 ( 4.366 0.000 0.000) 4.366 3.110 ( -2.809 0.000 0.000) 2.809 3.127 ( -2.351 0.000 0.000) 2.351 3.235 ( -0.204 0.000 0.000) 0.204 3.265 ( -2.551 0.000 0.000) 2.551 3.267 ( 0.098 0.000 0.000) 0.098 3.350 ( 0.810 0.000 0.000) 0.810 3.430 ( -2.069 0.000 0.000) 2.069 3.531 ( 4.553 0.000 0.000) 4.553 3.552 ( -1.110 0.000 0.000) 1.110 3.560 ( 5.247 0.000 0.000) 5.247 3.668 ( -1.694 0.000 0.000) 1.694 3.714 ( 2.122 0.000 0.000) 2.122 3.748 ( -1.133 0.000 0.000) 1.133 3.791 ( -1.339 0.000 0.000) 1.339 3.888 ( 4.288 0.000 0.000) 4.288 3.928 ( 4.384 0.000 0.000) 4.384 3.984 ( 1.276 0.000 0.000) 1.276 4.077 ( 3.452 0.000 0.000) 3.452 4.102 ( -4.499 0.000 0.000) 4.499 4.108 ( 15.228 0.000 0.000) 15.228 4.211 ( -9.731 0.000 0.000) 9.731 4.236 ( 2.823 0.000 0.000) 2.823 4.323 ( 5.661 0.000 0.000) 5.661 4.338 ( 3.478 0.000 0.000) 3.478 4.401 ( -2.089 0.000 0.000) 2.089 4.428 ( 3.866 0.000 0.000) 3.866 4.544 ( 0.251 0.000 0.000) 0.251 4.555 ( 2.966 0.000 0.000) 2.966 4.615 ( 2.979 0.000 0.000) 2.979 4.669 ( 4.307 0.000 0.000) 4.307 4.695 ( 5.606 0.000 0.000) 5.606 4.733 ( 1.502 0.000 0.000) 1.502 4.773 ( 9.946 0.000 0.000) 9.946 4.968 ( -9.595 0.000 0.000) 9.595 5.025 ( 0.380 0.000 0.000) 0.380 5.039 ( 9.545 0.000 0.000) 9.545 5.042 ( -4.629 0.000 0.000) 4.629 5.053 ( 1.299 0.000 0.000) 1.299 5.236 ( -1.499 0.000 0.000) 1.499 5.270 ( 1.784 0.000 0.000) 1.784 5.271 ( -12.930 0.000 0.000) 12.930 5.365 ( -1.721 0.000 0.000) 1.721 5.473 ( 2.967 0.000 0.000) 2.967 5.520 ( 3.995 0.000 0.000) 3.995 5.646 ( -5.146 0.000 0.000) 5.146 5.771 ( 1.088 0.000 0.000) 1.088 5.883 ( -3.480 0.000 0.000) 3.480 5.971 ( 1.117 0.000 0.000) 1.117 5.995 ( 3.807 0.000 0.000) 3.807 6.237 ( 4.113 0.000 0.000) 4.113 6.598 ( -8.765 0.000 0.000) 8.765 6.614 ( -8.454 0.000 0.000) 8.454 6.992 ( -0.601 0.000 0.000) 0.601 6.995 ( -0.256 0.000 0.000) 0.256 7.276 ( -0.754 0.000 0.000) 0.754 7.297 ( -1.187 0.000 0.000) 1.187 7.705 ( 2.506 0.000 0.000) 2.506 7.876 ( -0.003 0.000 0.000) 0.003 7.914 ( 1.501 0.000 0.000) 1.501 8.251 ( -10.585 0.000 0.000) 10.585 9.010 ( 0.804 0.000 0.000) 0.804 9.032 ( 0.971 0.000 0.000) 0.971 9.122 ( -0.685 0.000 0.000) 0.685 9.177 ( -1.007 0.000 0.000) 1.007 10.185 ( 2.880 0.000 0.000) 2.880 10.293 ( 1.168 0.000 0.000) 1.168 10.347 ( 2.954 0.000 0.000) 2.954 10.408 ( 2.555 0.000 0.000) 2.555 10.415 ( 0.813 0.000 0.000) 0.813 10.469 ( -1.738 0.000 0.000) 1.738 10.610 ( -9.396 0.000 0.000) 9.396 10.681 ( -3.939 0.000 0.000) 3.939 11.633 ( 5.132 0.000 0.000) 5.132 11.698 ( 5.932 0.000 0.000) 5.932 11.880 ( 10.007 0.000 0.000) 10.007 12.554 ( -7.906 0.000 0.000) 7.906 15.348 ( 1.202 0.000 0.000) 1.202 15.372 ( 0.986 0.000 0.000) 0.986 16.107 ( -2.390 0.000 0.000) 2.390 16.128 ( 4.260 0.000 0.000) 4.260 16.159 ( 4.684 0.000 0.000) 4.684 16.326 ( 8.907 0.000 0.000) 8.907 16.375 ( -8.938 0.000 0.000) 8.938 17.186 ( -12.044 0.000 0.000) 12.044 17.992 ( 3.981 0.000 0.000) 3.981 18.119 ( 3.350 0.000 0.000) 3.350 18.316 ( -3.260 0.000 0.000) 3.260 18.350 ( 0.001 0.000 0.000) 0.001 ======================= Grid point 3 (4/45) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 5.927 0.000 0.000) 5.927 0.938 ( 18.030 0.000 0.000) 18.030 0.976 ( -5.245 0.000 0.000) 5.245 1.337 ( -0.008 0.000 0.000) 0.008 1.380 ( -6.310 0.000 0.000) 6.310 1.468 ( 9.184 0.000 0.000) 9.184 1.527 ( -9.953 0.000 0.000) 9.953 1.580 ( -0.944 0.000 0.000) 0.944 1.709 ( -3.450 0.000 0.000) 3.450 1.728 ( 1.429 0.000 0.000) 1.429 1.801 ( -2.382 0.000 0.000) 2.382 1.885 ( -0.009 0.000 0.000) 0.009 1.918 ( -6.983 0.000 0.000) 6.983 1.949 ( -2.256 0.000 0.000) 2.256 2.009 ( 2.638 0.000 0.000) 2.638 2.140 ( -4.020 0.000 0.000) 4.020 2.153 ( 6.147 0.000 0.000) 6.147 2.218 ( 4.095 0.000 0.000) 4.095 2.229 ( 3.311 0.000 0.000) 3.311 2.248 ( 6.761 0.000 0.000) 6.761 2.283 ( 12.882 0.000 0.000) 12.882 2.442 ( -3.912 0.000 0.000) 3.912 2.471 ( 6.469 0.000 0.000) 6.469 2.485 ( -8.535 0.000 0.000) 8.535 2.578 ( -1.656 0.000 0.000) 1.656 2.667 ( 2.582 0.000 0.000) 2.582 2.698 ( -5.812 0.000 0.000) 5.812 2.704 ( 5.600 0.000 0.000) 5.600 2.773 ( -3.352 0.000 0.000) 3.352 2.794 ( 2.513 0.000 0.000) 2.513 2.973 ( 2.699 0.000 0.000) 2.699 3.020 ( 1.293 0.000 0.000) 1.293 3.071 ( -1.189 0.000 0.000) 1.189 3.083 ( -1.979 0.000 0.000) 1.979 3.215 ( -2.447 0.000 0.000) 2.447 3.217 ( -0.818 0.000 0.000) 0.818 3.303 ( 2.980 0.000 0.000) 2.980 3.395 ( -1.839 0.000 0.000) 1.839 3.398 ( 3.259 0.000 0.000) 3.259 3.539 ( 0.283 0.000 0.000) 0.283 3.551 ( -2.424 0.000 0.000) 2.424 3.624 ( -2.874 0.000 0.000) 2.874 3.629 ( 1.436 0.000 0.000) 1.436 3.665 ( -4.760 0.000 0.000) 4.760 3.760 ( 1.455 0.000 0.000) 1.455 3.791 ( -1.296 0.000 0.000) 1.296 3.923 ( -4.173 0.000 0.000) 4.173 3.960 ( 3.222 0.000 0.000) 3.222 3.991 ( 2.153 0.000 0.000) 2.153 4.020 ( -4.020 0.000 0.000) 4.020 4.093 ( -0.912 0.000 0.000) 0.912 4.127 ( -1.375 0.000 0.000) 1.375 4.287 ( 3.742 0.000 0.000) 3.742 4.355 ( 9.207 0.000 0.000) 9.207 4.382 ( 0.055 0.000 0.000) 0.055 4.384 ( 2.118 0.000 0.000) 2.118 4.393 ( 2.704 0.000 0.000) 2.704 4.527 ( 4.466 0.000 0.000) 4.466 4.540 ( -0.366 0.000 0.000) 0.366 4.560 ( -3.494 0.000 0.000) 3.494 4.665 ( 4.068 0.000 0.000) 4.068 4.715 ( 0.230 0.000 0.000) 0.230 4.727 ( 2.001 0.000 0.000) 2.001 4.770 ( 1.436 0.000 0.000) 1.436 4.791 ( -6.761 0.000 0.000) 6.761 4.936 ( -6.600 0.000 0.000) 6.600 5.034 ( 10.556 0.000 0.000) 10.556 5.067 ( 1.830 0.000 0.000) 1.830 5.094 ( 2.971 0.000 0.000) 2.971 5.116 ( 0.302 0.000 0.000) 0.302 5.203 ( -2.114 0.000 0.000) 2.114 5.229 ( 9.898 0.000 0.000) 9.898 5.300 ( 1.283 0.000 0.000) 1.283 5.336 ( -1.244 0.000 0.000) 1.244 5.473 ( -3.709 0.000 0.000) 3.709 5.519 ( -7.866 0.000 0.000) 7.866 5.624 ( 6.514 0.000 0.000) 6.514 5.804 ( -3.081 0.000 0.000) 3.081 5.834 ( 5.570 0.000 0.000) 5.570 6.014 ( 0.694 0.000 0.000) 0.694 6.079 ( 5.453 0.000 0.000) 5.453 6.289 ( 1.726 0.000 0.000) 1.726 6.408 ( -10.836 0.000 0.000) 10.836 6.441 ( -8.891 0.000 0.000) 8.891 6.983 ( -0.276 0.000 0.000) 0.276 6.988 ( -0.379 0.000 0.000) 0.379 7.265 ( -0.377 0.000 0.000) 0.377 7.276 ( -0.957 0.000 0.000) 0.957 7.746 ( 2.438 0.000 0.000) 2.438 7.890 ( 1.718 0.000 0.000) 1.718 7.898 ( -3.277 0.000 0.000) 3.277 8.064 ( -8.468 0.000 0.000) 8.468 9.032 ( 1.443 0.000 0.000) 1.443 9.056 ( 1.368 0.000 0.000) 1.368 9.106 ( -0.892 0.000 0.000) 0.892 9.149 ( -1.876 0.000 0.000) 1.876 10.255 ( 4.343 0.000 0.000) 4.343 10.323 ( 1.949 0.000 0.000) 1.949 10.393 ( 0.435 0.000 0.000) 0.435 10.432 ( -2.060 0.000 0.000) 2.060 10.438 ( 1.455 0.000 0.000) 1.455 10.450 ( 1.232 0.000 0.000) 1.232 10.473 ( -3.396 0.000 0.000) 3.396 10.600 ( -4.550 0.000 0.000) 4.550 11.722 ( 3.948 0.000 0.000) 3.948 11.771 ( 1.893 0.000 0.000) 1.893 12.062 ( 9.200 0.000 0.000) 9.200 12.395 ( -8.776 0.000 0.000) 8.776 15.372 ( 1.280 0.000 0.000) 1.280 15.388 ( 0.597 0.000 0.000) 0.597 16.076 ( -0.500 0.000 0.000) 0.500 16.207 ( 3.767 0.000 0.000) 3.767 16.212 ( -7.699 0.000 0.000) 7.699 16.236 ( 2.869 0.000 0.000) 2.869 16.513 ( 10.747 0.000 0.000) 10.747 16.954 ( -12.374 0.000 0.000) 12.374 18.072 ( 4.440 0.000 0.000) 4.440 18.194 ( 4.394 0.000 0.000) 4.394 18.241 ( -4.329 0.000 0.000) 4.329 18.333 ( -2.060 0.000 0.000) 2.060 ======================= Grid point 4 (5/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -11.669 0.000 0.000) 11.669 0.787 ( 11.669 0.000 0.000) 11.669 1.266 ( -16.410 0.000 0.000) 16.410 1.266 ( 16.410 0.000 0.000) 16.410 1.344 ( -0.159 0.000 0.000) 0.159 1.344 ( 0.159 0.000 0.000) 0.159 1.574 ( -1.001 0.000 0.000) 1.001 1.574 ( 1.001 0.000 0.000) 1.001 1.702 ( -3.382 0.000 0.000) 3.382 1.702 ( 3.382 0.000 0.000) 3.382 1.800 ( -3.856 0.000 0.000) 3.856 1.800 ( 3.856 0.000 0.000) 3.856 1.905 ( -1.989 0.000 0.000) 1.989 1.905 ( 1.989 0.000 0.000) 1.989 2.066 ( -3.337 0.000 0.000) 3.337 2.066 ( 3.337 0.000 0.000) 3.337 2.243 ( -2.748 0.000 0.000) 2.748 2.243 ( 2.748 0.000 0.000) 2.748 2.305 ( -0.319 0.000 0.000) 0.319 2.305 ( 0.319 0.000 0.000) 0.319 2.347 ( -1.178 0.000 0.000) 1.178 2.347 ( 1.178 0.000 0.000) 1.178 2.506 ( -4.424 0.000 0.000) 4.424 2.506 ( 4.424 0.000 0.000) 4.424 2.613 ( -3.452 0.000 0.000) 3.452 2.613 ( 3.452 0.000 0.000) 3.452 2.707 ( -2.324 0.000 0.000) 2.324 2.707 ( 2.324 0.000 0.000) 2.324 2.821 ( -3.027 0.000 0.000) 3.027 2.821 ( 3.027 0.000 0.000) 3.027 3.013 ( -1.552 0.000 0.000) 1.552 3.013 ( 1.552 0.000 0.000) 1.552 3.064 ( -0.210 0.000 0.000) 0.210 3.064 ( 0.210 0.000 0.000) 0.210 3.196 ( -0.995 0.000 0.000) 0.995 3.196 ( 0.995 0.000 0.000) 0.995 3.356 ( -2.442 0.000 0.000) 2.442 3.356 ( 2.442 0.000 0.000) 2.442 3.470 ( -4.651 0.000 0.000) 4.651 3.470 ( 4.651 0.000 0.000) 4.651 3.569 ( -2.656 0.000 0.000) 2.656 3.569 ( 2.656 0.000 0.000) 2.656 3.628 ( -0.735 0.000 0.000) 0.735 3.628 ( 0.735 0.000 0.000) 0.735 3.757 ( -0.688 0.000 0.000) 0.688 3.757 ( 0.688 0.000 0.000) 0.688 3.939 ( -4.227 0.000 0.000) 4.227 3.939 ( 4.227 0.000 0.000) 4.227 4.002 ( -0.990 0.000 0.000) 0.990 4.002 ( 0.990 0.000 0.000) 0.990 4.094 ( -1.398 0.000 0.000) 1.398 4.094 ( 1.398 0.000 0.000) 1.398 4.370 ( -2.702 0.000 0.000) 2.702 4.370 ( 2.702 0.000 0.000) 2.702 4.418 ( -0.965 0.000 0.000) 0.965 4.418 ( 0.965 0.000 0.000) 0.965 4.457 ( -5.300 0.000 0.000) 5.300 4.457 ( 5.300 0.000 0.000) 5.300 4.555 ( -1.095 0.000 0.000) 1.095 4.555 ( 1.095 0.000 0.000) 1.095 4.722 ( -1.223 0.000 0.000) 1.223 4.722 ( 1.223 0.000 0.000) 1.223 4.752 ( -0.633 0.000 0.000) 0.633 4.752 ( 0.633 0.000 0.000) 0.633 4.804 ( -5.922 0.000 0.000) 5.922 4.804 ( 5.922 0.000 0.000) 5.922 5.076 ( -0.667 0.000 0.000) 0.667 5.076 ( 0.667 0.000 0.000) 0.667 5.154 ( -3.085 0.000 0.000) 3.085 5.154 ( 3.085 0.000 0.000) 3.085 5.310 ( -11.546 0.000 0.000) 11.546 5.310 ( 11.546 0.000 0.000) 11.546 5.318 ( -0.767 0.000 0.000) 0.767 5.318 ( 0.767 0.000 0.000) 0.767 5.391 ( -7.166 0.000 0.000) 7.166 5.391 ( 7.166 0.000 0.000) 7.166 5.738 ( -4.832 0.000 0.000) 4.832 5.738 ( 4.832 0.000 0.000) 4.832 5.958 ( -6.292 0.000 0.000) 6.292 5.958 ( 6.292 0.000 0.000) 6.292 6.215 ( -9.085 0.000 0.000) 9.085 6.215 ( 9.085 0.000 0.000) 9.085 6.325 ( -3.115 0.000 0.000) 3.115 6.325 ( 3.115 0.000 0.000) 3.115 6.983 ( -0.178 0.000 0.000) 0.178 6.983 ( 0.178 0.000 0.000) 0.178 7.264 ( -0.316 0.000 0.000) 0.316 7.264 ( 0.316 0.000 0.000) 0.316 7.813 ( -4.678 0.000 0.000) 4.678 7.813 ( 4.678 0.000 0.000) 4.678 7.946 ( -4.334 0.000 0.000) 4.334 7.946 ( 4.334 0.000 0.000) 4.334 9.059 ( -1.201 0.000 0.000) 1.201 9.059 ( 1.201 0.000 0.000) 1.201 9.112 ( -1.744 0.000 0.000) 1.744 9.112 ( 1.744 0.000 0.000) 1.744 10.343 ( -5.004 0.000 0.000) 5.004 10.343 ( 5.004 0.000 0.000) 5.004 10.364 ( -2.272 0.000 0.000) 2.272 10.364 ( 2.272 0.000 0.000) 2.272 10.460 ( -0.634 0.000 0.000) 0.634 10.460 ( 0.634 0.000 0.000) 0.634 10.514 ( -4.390 0.000 0.000) 4.390 10.514 ( 4.390 0.000 0.000) 4.390 11.774 ( -1.447 0.000 0.000) 1.447 11.774 ( 1.447 0.000 0.000) 1.447 12.229 ( -8.771 0.000 0.000) 8.771 12.229 ( 8.771 0.000 0.000) 8.771 15.390 ( -0.454 0.000 0.000) 0.454 15.390 ( 0.454 0.000 0.000) 0.454 16.103 ( -3.614 0.000 0.000) 3.614 16.103 ( 3.614 0.000 0.000) 3.614 16.255 ( -0.911 0.000 0.000) 0.911 16.255 ( 0.911 0.000 0.000) 0.911 16.726 ( -11.803 0.000 0.000) 11.803 16.726 ( 11.803 0.000 0.000) 11.803 18.157 ( -4.527 0.000 0.000) 4.527 18.157 ( 4.527 0.000 0.000) 4.527 18.275 ( -3.928 0.000 0.000) 3.928 18.275 ( 3.928 0.000 0.000) 3.928 ======================= Grid point 9 (6/45) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( 0.000 16.594 0.000) 16.594 0.333 ( 0.000 16.093 0.000) 16.093 0.924 ( 0.000 37.877 0.000) 37.877 0.956 ( 0.000 6.391 0.000) 6.391 1.127 ( 0.000 -16.070 0.000) 16.070 1.170 ( 0.000 3.811 0.000) 3.811 1.236 ( 0.000 -7.341 0.000) 7.341 1.617 ( 0.000 -9.733 0.000) 9.733 1.716 ( 0.000 -0.468 0.000) 0.468 1.816 ( 0.000 -8.311 0.000) 8.311 1.849 ( 0.000 -8.747 0.000) 8.747 1.912 ( 0.000 -9.712 0.000) 9.712 1.913 ( 0.000 5.419 0.000) 5.419 2.012 ( 0.000 8.741 0.000) 8.741 2.035 ( 0.000 11.990 0.000) 11.990 2.110 ( 0.000 0.546 0.000) 0.546 2.188 ( 0.000 8.766 0.000) 8.766 2.220 ( 0.000 7.443 0.000) 7.443 2.283 ( 0.000 -1.431 0.000) 1.431 2.447 ( 0.000 11.436 0.000) 11.436 2.470 ( 0.000 3.172 0.000) 3.172 2.482 ( 0.000 5.613 0.000) 5.613 2.600 ( 0.000 8.943 0.000) 8.943 2.669 ( 0.000 -5.488 0.000) 5.488 2.711 ( 0.000 -2.009 0.000) 2.009 2.751 ( 0.000 -0.912 0.000) 0.912 2.785 ( 0.000 -7.012 0.000) 7.012 2.852 ( 0.000 -0.275 0.000) 0.275 2.934 ( 0.000 -8.751 0.000) 8.751 2.936 ( 0.000 -3.425 0.000) 3.425 2.941 ( 0.000 1.908 0.000) 1.908 3.056 ( 0.000 -8.297 0.000) 8.297 3.091 ( 0.000 1.815 0.000) 1.815 3.206 ( 0.000 -5.002 0.000) 5.002 3.224 ( 0.000 1.106 0.000) 1.106 3.284 ( 0.000 3.679 0.000) 3.679 3.299 ( 0.000 -2.034 0.000) 2.034 3.339 ( 0.000 -1.366 0.000) 1.366 3.410 ( 0.000 -5.058 0.000) 5.058 3.451 ( 0.000 4.073 0.000) 4.073 3.456 ( 0.000 -1.592 0.000) 1.592 3.550 ( 0.000 -2.691 0.000) 2.691 3.553 ( 0.000 1.541 0.000) 1.541 3.633 ( 0.000 -2.954 0.000) 2.954 3.727 ( 0.000 1.612 0.000) 1.612 3.782 ( 0.000 0.284 0.000) 0.284 3.790 ( 0.000 2.886 0.000) 2.886 3.807 ( 0.000 0.410 0.000) 0.410 3.873 ( 0.000 2.085 0.000) 2.085 3.922 ( 0.000 -1.806 0.000) 1.806 4.001 ( 0.000 1.750 0.000) 1.750 4.053 ( 0.000 -1.039 0.000) 1.039 4.103 ( 0.000 -6.013 0.000) 6.013 4.191 ( 0.000 -2.181 0.000) 2.181 4.200 ( 0.000 4.154 0.000) 4.154 4.204 ( 0.000 -8.135 0.000) 8.135 4.231 ( 0.000 3.994 0.000) 3.994 4.322 ( 0.000 -10.849 0.000) 10.849 4.426 ( 0.000 -3.908 0.000) 3.908 4.434 ( 0.000 -3.487 0.000) 3.487 4.449 ( 0.000 4.338 0.000) 4.338 4.509 ( 0.000 2.973 0.000) 2.973 4.689 ( 0.000 4.930 0.000) 4.930 4.752 ( 0.000 1.928 0.000) 1.928 4.800 ( 0.000 -6.287 0.000) 6.287 4.804 ( 0.000 8.255 0.000) 8.255 5.006 ( 0.000 -0.339 0.000) 0.339 5.165 ( 0.000 3.255 0.000) 3.255 5.195 ( 0.000 -0.117 0.000) 0.117 5.207 ( 0.000 1.620 0.000) 1.620 5.213 ( 0.000 -0.616 0.000) 0.616 5.268 ( 0.000 0.329 0.000) 0.329 5.423 ( 0.000 4.090 0.000) 4.090 5.448 ( 0.000 3.174 0.000) 3.174 5.628 ( 0.000 -1.590 0.000) 1.590 5.705 ( 0.000 -4.657 0.000) 4.657 5.750 ( 0.000 0.201 0.000) 0.201 5.799 ( 0.000 4.529 0.000) 4.529 5.834 ( 0.000 -1.355 0.000) 1.355 5.864 ( 0.000 0.594 0.000) 0.594 5.897 ( 0.000 -0.336 0.000) 0.336 6.076 ( 0.000 -5.829 0.000) 5.829 6.771 ( 0.000 -0.123 0.000) 0.123 6.776 ( 0.000 -0.145 0.000) 0.145 7.042 ( 0.000 3.692 0.000) 3.692 7.055 ( 0.000 3.804 0.000) 3.804 7.247 ( 0.000 -3.981 0.000) 3.981 7.279 ( 0.000 -4.084 0.000) 4.084 7.648 ( 0.000 3.458 0.000) 3.458 7.676 ( 0.000 2.119 0.000) 2.119 7.795 ( 0.000 -2.088 0.000) 2.088 7.835 ( 0.000 -3.811 0.000) 3.811 9.043 ( 0.000 2.172 0.000) 2.172 9.062 ( 0.000 5.624 0.000) 5.624 9.148 ( 0.000 0.050 0.000) 0.050 9.530 ( 0.000 -13.832 0.000) 13.832 10.169 ( 0.000 3.962 0.000) 3.962 10.356 ( 0.000 4.285 0.000) 4.285 10.422 ( 0.000 0.093 0.000) 0.093 10.459 ( 0.000 -4.149 0.000) 4.149 10.511 ( 0.000 10.716 0.000) 10.716 10.734 ( 0.000 -1.746 0.000) 1.746 10.887 ( 0.000 3.926 0.000) 3.926 11.027 ( 0.000 -1.837 0.000) 1.837 11.523 ( 0.000 6.055 0.000) 6.055 11.532 ( 0.000 0.822 0.000) 0.822 11.590 ( 0.000 -1.207 0.000) 1.207 11.974 ( 0.000 -9.127 0.000) 9.127 15.451 ( 0.000 10.858 0.000) 10.858 16.016 ( 0.000 -9.636 0.000) 9.636 16.066 ( 0.000 2.867 0.000) 2.867 16.069 ( 0.000 1.706 0.000) 1.706 16.163 ( 0.000 -1.428 0.000) 1.428 16.289 ( 0.000 -6.218 0.000) 6.218 16.662 ( 0.000 5.327 0.000) 5.327 16.862 ( 0.000 -2.862 0.000) 2.862 17.927 ( 0.000 2.020 0.000) 2.020 18.035 ( 0.000 -1.875 0.000) 1.875 18.305 ( 0.000 1.310 0.000) 1.310 18.386 ( 0.000 -1.639 0.000) 1.639 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 9.365 11.499 0.000) 14.830 0.667 ( 20.645 10.735 0.000) 23.269 0.962 ( 2.058 0.744 0.000) 2.188 1.056 ( 14.640 26.980 0.000) 30.696 1.187 ( 4.068 7.406 0.000) 8.450 1.202 ( 6.748 -13.450 0.000) 15.048 1.398 ( 12.155 -6.157 0.000) 13.625 1.667 ( 4.471 -8.665 0.000) 9.750 1.690 ( -2.279 -1.120 0.000) 2.539 1.753 ( -5.972 -0.335 0.000) 5.982 1.859 ( -3.449 -4.629 0.000) 5.773 1.868 ( 1.416 -5.757 0.000) 5.928 1.908 ( -0.671 1.516 0.000) 1.658 2.006 ( -3.573 6.563 0.000) 7.473 2.060 ( 0.254 0.438 0.000) 0.507 2.095 ( 1.431 3.258 0.000) 3.559 2.152 ( -10.211 0.079 0.000) 10.212 2.180 ( -1.315 7.670 0.000) 7.782 2.209 ( -1.227 7.106 0.000) 7.211 2.342 ( -3.359 8.218 0.000) 8.878 2.441 ( -3.391 2.999 0.000) 4.527 2.518 ( -7.469 6.725 0.000) 10.050 2.600 ( 2.409 12.366 0.000) 12.598 2.634 ( -5.710 -2.736 0.000) 6.332 2.638 ( -3.156 -1.654 0.000) 3.563 2.695 ( -4.612 -3.224 0.000) 5.627 2.775 ( -4.294 1.306 0.000) 4.488 2.820 ( -0.377 -2.495 0.000) 2.524 2.847 ( 0.259 -3.071 0.000) 3.082 2.851 ( 0.282 -5.352 0.000) 5.359 2.969 ( 0.340 -3.012 0.000) 3.031 2.972 ( -4.331 0.877 0.000) 4.419 3.139 ( -4.966 -1.817 0.000) 5.288 3.198 ( -4.620 -1.887 0.000) 4.991 3.228 ( -0.691 2.858 0.000) 2.940 3.233 ( 4.031 -3.307 0.000) 5.214 3.338 ( 4.251 -4.449 0.000) 6.153 3.378 ( 1.152 0.768 0.000) 1.385 3.393 ( -0.843 6.136 0.000) 6.194 3.435 ( -1.386 -2.793 0.000) 3.118 3.470 ( 0.828 -0.080 0.000) 0.832 3.576 ( 2.242 0.204 0.000) 2.251 3.587 ( 3.009 -3.492 0.000) 4.610 3.701 ( -0.852 0.975 0.000) 1.295 3.705 ( 1.434 -7.388 0.000) 7.526 3.803 ( 3.477 -1.576 0.000) 3.818 3.813 ( 4.461 3.829 0.000) 5.879 3.867 ( 4.270 1.228 0.000) 4.443 3.917 ( 0.098 2.140 0.000) 2.142 3.981 ( 7.989 3.655 0.000) 8.785 4.013 ( 1.824 1.878 0.000) 2.618 4.072 ( 1.523 -2.179 0.000) 2.658 4.125 ( 1.532 -8.742 0.000) 8.875 4.198 ( 0.744 -3.330 0.000) 3.413 4.220 ( 1.447 0.951 0.000) 1.731 4.236 ( 3.775 -2.217 0.000) 4.378 4.359 ( 7.511 0.849 0.000) 7.559 4.372 ( 4.023 -10.742 0.000) 11.470 4.403 ( -2.103 -1.646 0.000) 2.671 4.448 ( 5.457 -1.550 0.000) 5.673 4.514 ( 6.241 1.616 0.000) 6.447 4.612 ( 1.845 -3.552 0.000) 4.002 4.722 ( -3.118 4.638 0.000) 5.589 4.738 ( 9.587 1.284 0.000) 9.672 4.777 ( -2.459 5.454 0.000) 5.983 4.855 ( 5.218 -1.006 0.000) 5.314 5.001 ( -0.418 -1.514 0.000) 1.571 5.093 ( -2.733 3.739 0.000) 4.631 5.117 ( -8.209 1.897 0.000) 8.426 5.169 ( -6.617 -0.451 0.000) 6.632 5.227 ( 1.246 -0.945 0.000) 1.564 5.260 ( -0.813 -0.732 0.000) 1.094 5.343 ( -5.913 1.879 0.000) 6.204 5.467 ( 4.540 6.191 0.000) 7.677 5.499 ( -11.367 -1.859 0.000) 11.518 5.652 ( -4.020 4.111 0.000) 5.750 5.740 ( 0.071 -0.747 0.000) 0.750 5.758 ( -1.419 -1.853 0.000) 2.334 5.804 ( 2.610 0.529 0.000) 2.663 5.948 ( 4.058 1.784 0.000) 4.433 6.016 ( -5.516 -4.509 0.000) 7.124 6.073 ( 8.824 -3.134 0.000) 9.364 6.724 ( -4.797 -0.119 0.000) 4.798 6.733 ( -4.646 -0.377 0.000) 4.661 7.041 ( -0.066 3.703 0.000) 3.703 7.051 ( -0.414 3.997 0.000) 4.019 7.244 ( -0.323 -3.804 0.000) 3.818 7.276 ( -0.598 -3.903 0.000) 3.948 7.678 ( 2.625 2.776 0.000) 3.821 7.835 ( 5.082 -1.893 0.000) 5.423 7.839 ( 0.360 -3.328 0.000) 3.347 7.927 ( 14.407 -11.437 0.000) 18.394 9.043 ( 0.072 1.982 0.000) 1.983 9.059 ( -0.305 4.956 0.000) 4.966 9.140 ( -0.727 -0.180 0.000) 0.749 9.412 ( -10.236 -5.254 0.000) 11.505 10.180 ( 1.202 3.905 0.000) 4.086 10.358 ( 0.409 3.578 0.000) 3.601 10.420 ( -0.068 0.431 0.000) 0.436 10.449 ( -0.933 -4.227 0.000) 4.329 10.512 ( 0.086 9.342 0.000) 9.342 10.568 ( -16.578 13.130 0.000) 21.148 10.738 ( -3.977 0.755 0.000) 4.048 10.827 ( -11.429 0.951 0.000) 11.468 11.568 ( 3.979 1.695 0.000) 4.325 11.619 ( 8.360 6.403 0.000) 10.530 11.675 ( 7.696 -2.102 0.000) 7.978 12.253 ( 12.401 -21.597 0.000) 24.904 15.455 ( 0.478 10.717 0.000) 10.728 15.883 ( -20.816 20.636 0.000) 29.311 16.019 ( 0.004 -9.888 0.000) 9.888 16.083 ( 0.845 1.781 0.000) 1.972 16.102 ( 3.258 1.667 0.000) 3.660 16.193 ( 3.559 -1.060 0.000) 3.714 16.549 ( -6.006 4.073 0.000) 7.257 17.075 ( 3.440 -17.899 0.000) 18.227 17.950 ( 2.349 1.856 0.000) 2.994 18.052 ( 1.721 -1.788 0.000) 2.481 18.316 ( 0.872 0.576 0.000) 1.045 18.368 ( -1.803 -1.196 0.000) 2.164 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 14.827 6.114 0.000) 16.038 0.901 ( 5.159 21.709 0.000) 22.314 1.052 ( 7.031 -1.349 0.000) 7.160 1.297 ( 6.341 8.578 0.000) 10.667 1.299 ( 3.529 -5.911 0.000) 6.885 1.407 ( 16.958 1.052 0.000) 16.990 1.583 ( 2.655 -0.485 0.000) 2.699 1.633 ( -3.270 -0.751 0.000) 3.356 1.672 ( -3.267 0.736 0.000) 3.349 1.718 ( 0.546 -6.164 0.000) 6.188 1.790 ( -3.623 -3.185 0.000) 4.824 1.814 ( -5.412 3.092 0.000) 6.233 1.908 ( 1.847 -1.527 0.000) 2.397 1.980 ( 2.439 -7.594 0.000) 7.976 2.003 ( -5.735 -2.354 0.000) 6.199 2.039 ( -0.084 0.615 0.000) 0.621 2.117 ( -2.690 1.454 0.000) 3.058 2.180 ( 3.897 4.384 0.000) 5.866 2.196 ( 0.483 5.333 0.000) 5.354 2.318 ( -7.154 1.291 0.000) 7.270 2.327 ( 2.189 8.952 0.000) 9.216 2.443 ( -0.391 6.536 0.000) 6.548 2.552 ( -2.507 -2.844 0.000) 3.791 2.587 ( -1.198 7.049 0.000) 7.150 2.591 ( -1.246 -0.236 0.000) 1.268 2.671 ( -6.296 0.076 0.000) 6.296 2.705 ( 2.442 -1.514 0.000) 2.873 2.755 ( -3.326 -5.332 0.000) 6.284 2.830 ( -7.263 0.078 0.000) 7.263 2.852 ( -2.288 4.600 0.000) 5.138 2.959 ( 4.288 1.239 0.000) 4.464 3.016 ( 6.964 5.050 0.000) 8.602 3.081 ( -1.893 -2.895 0.000) 3.459 3.150 ( -4.942 -1.849 0.000) 5.277 3.154 ( -0.888 -6.253 0.000) 6.316 3.258 ( -0.617 3.386 0.000) 3.442 3.328 ( -0.801 1.227 0.000) 1.466 3.386 ( 0.520 2.806 0.000) 2.854 3.419 ( -0.211 -0.010 0.000) 0.211 3.486 ( 2.220 -4.610 0.000) 5.116 3.502 ( 3.674 1.175 0.000) 3.858 3.606 ( 1.193 0.643 0.000) 1.355 3.612 ( -0.523 -2.557 0.000) 2.610 3.688 ( -2.194 -5.227 0.000) 5.669 3.716 ( 2.541 0.378 0.000) 2.569 3.875 ( 2.156 -6.542 0.000) 6.888 3.899 ( 3.598 6.071 0.000) 7.057 3.931 ( 0.730 3.960 0.000) 4.026 3.969 ( 5.768 1.869 0.000) 6.063 4.052 ( 0.320 -2.447 0.000) 2.468 4.098 ( 1.559 1.056 0.000) 1.883 4.099 ( 2.300 -2.883 0.000) 3.688 4.144 ( 2.411 -2.761 0.000) 3.666 4.251 ( 5.170 1.633 0.000) 5.422 4.258 ( 3.639 -4.369 0.000) 5.685 4.308 ( 3.012 -2.049 0.000) 3.643 4.351 ( -2.836 -3.413 0.000) 4.437 4.405 ( 1.457 -0.406 0.000) 1.512 4.425 ( 1.401 -9.262 0.000) 9.367 4.591 ( -0.024 -4.280 0.000) 4.280 4.629 ( 4.323 3.788 0.000) 5.748 4.663 ( -2.194 4.807 0.000) 5.284 4.705 ( 13.747 0.779 0.000) 13.769 4.741 ( -1.132 0.904 0.000) 1.449 4.909 ( 1.650 7.524 0.000) 7.703 4.965 ( 0.118 -5.127 0.000) 5.128 4.981 ( -6.322 -0.905 0.000) 6.387 4.998 ( 7.593 -2.446 0.000) 7.978 5.019 ( -0.164 -2.717 0.000) 2.722 5.116 ( 2.128 6.422 0.000) 6.765 5.224 ( -4.517 -4.836 0.000) 6.618 5.256 ( -4.384 1.136 0.000) 4.529 5.256 ( 1.543 -1.054 0.000) 1.869 5.302 ( -4.393 -0.249 0.000) 4.400 5.535 ( 1.669 5.279 0.000) 5.536 5.638 ( 1.343 5.289 0.000) 5.457 5.681 ( -5.330 2.309 0.000) 5.808 5.755 ( 1.398 -1.363 0.000) 1.952 5.852 ( -1.343 -2.168 0.000) 2.550 5.938 ( 0.437 -2.895 0.000) 2.928 6.021 ( 3.806 2.534 0.000) 4.572 6.192 ( 4.265 -3.589 0.000) 5.574 6.596 ( -8.665 -0.115 0.000) 8.666 6.606 ( -8.518 -0.535 0.000) 8.535 7.038 ( -0.251 3.695 0.000) 3.704 7.041 ( -0.561 4.129 0.000) 4.167 7.236 ( -0.550 -3.497 0.000) 3.540 7.259 ( -1.068 -3.549 0.000) 3.706 7.726 ( 2.229 1.943 0.000) 2.957 7.847 ( 0.592 -2.402 0.000) 2.474 7.909 ( 2.136 -0.107 0.000) 2.138 8.068 ( 0.606 -9.597 0.000) 9.616 9.048 ( 0.585 1.456 0.000) 1.570 9.054 ( -0.166 3.524 0.000) 3.528 9.123 ( -1.027 -0.468 0.000) 1.128 9.241 ( -6.745 -0.066 0.000) 6.745 10.216 ( 2.590 3.266 0.000) 4.169 10.378 ( 1.802 2.311 0.000) 2.931 10.380 ( -4.693 7.554 0.000) 8.893 10.416 ( -1.091 -1.615 0.000) 1.949 10.440 ( 0.987 -1.307 0.000) 1.638 10.508 ( -0.857 5.646 0.000) 5.711 10.614 ( -8.701 0.406 0.000) 8.711 10.682 ( -4.084 -0.188 0.000) 4.088 11.665 ( 5.715 2.826 0.000) 6.376 11.761 ( 5.853 6.363 0.000) 8.646 11.840 ( 9.215 -3.399 0.000) 9.822 12.341 ( -1.049 -15.771 0.000) 15.805 15.470 ( 1.092 10.445 0.000) 10.502 15.642 ( -6.836 18.428 0.000) 19.655 16.008 ( -1.015 -8.817 0.000) 8.875 16.101 ( 0.416 -3.023 0.000) 3.052 16.182 ( 4.874 1.973 0.000) 5.258 16.300 ( 7.431 -2.270 0.000) 7.770 16.427 ( -6.232 5.837 0.000) 8.539 17.008 ( -7.874 -14.302 0.000) 16.326 18.010 ( 3.787 1.547 0.000) 4.091 18.100 ( 3.353 -1.678 0.000) 3.749 18.308 ( -2.555 -0.229 0.000) 2.565 18.337 ( -0.769 -0.937 0.000) 1.213 ======================= Grid point 12 (9/45) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 2.804 21.685 0.000) 21.865 0.961 ( 16.593 3.336 0.000) 16.925 1.177 ( 2.997 8.464 0.000) 8.979 1.325 ( -4.097 2.017 0.000) 4.566 1.353 ( 1.974 2.458 0.000) 3.152 1.532 ( -11.257 -0.075 0.000) 11.257 1.539 ( 2.445 5.202 0.000) 5.749 1.578 ( 1.511 -2.142 0.000) 2.621 1.623 ( 3.020 -5.638 0.000) 6.396 1.718 ( -4.561 1.193 0.000) 4.715 1.736 ( -2.624 -4.227 0.000) 4.976 1.795 ( 3.371 -5.125 0.000) 6.134 1.859 ( -8.040 -6.028 0.000) 10.048 1.940 ( -2.172 -2.876 0.000) 3.604 2.021 ( 0.318 0.098 0.000) 0.332 2.037 ( 1.038 -7.797 0.000) 7.866 2.158 ( 6.584 1.085 0.000) 6.673 2.213 ( 0.905 4.565 0.000) 4.654 2.232 ( 1.711 0.682 0.000) 1.842 2.283 ( 3.827 0.730 0.000) 3.896 2.440 ( 7.496 5.098 0.000) 9.065 2.455 ( -1.628 3.417 0.000) 3.785 2.506 ( -3.105 -0.474 0.000) 3.141 2.550 ( -2.885 1.389 0.000) 3.202 2.585 ( 1.260 2.541 0.000) 2.837 2.591 ( -0.633 -3.581 0.000) 3.637 2.688 ( -5.717 -0.984 0.000) 5.801 2.700 ( -2.501 -1.819 0.000) 3.092 2.770 ( 4.244 4.111 0.000) 5.909 2.847 ( 1.500 4.671 0.000) 4.906 3.042 ( 1.185 1.389 0.000) 1.825 3.063 ( -2.497 -0.349 0.000) 2.521 3.074 ( 2.832 0.887 0.000) 2.967 3.128 ( 2.217 5.918 0.000) 6.319 3.149 ( 0.967 -5.003 0.000) 5.095 3.237 ( -2.080 2.850 0.000) 3.528 3.338 ( 3.095 1.864 0.000) 3.613 3.398 ( 0.810 1.548 0.000) 1.747 3.435 ( 1.639 1.954 0.000) 2.551 3.504 ( -2.047 -2.972 0.000) 3.609 3.519 ( 0.394 -0.485 0.000) 0.624 3.571 ( -3.624 -1.993 0.000) 4.136 3.633 ( 1.383 -0.904 0.000) 1.652 3.641 ( -2.037 -2.044 0.000) 2.885 3.772 ( 1.805 0.686 0.000) 1.931 3.867 ( -0.720 -3.510 0.000) 3.583 3.885 ( -4.241 5.243 0.000) 6.743 3.977 ( 3.356 2.310 0.000) 4.074 4.002 ( -4.330 -2.310 0.000) 4.907 4.053 ( 1.710 3.009 0.000) 3.460 4.112 ( 0.069 -0.101 0.000) 0.122 4.118 ( -0.149 1.999 0.000) 2.004 4.189 ( 3.695 -5.568 0.000) 6.682 4.311 ( 0.400 -4.634 0.000) 4.651 4.350 ( 4.192 -5.825 0.000) 7.177 4.359 ( 3.889 -5.320 0.000) 6.590 4.380 ( 4.435 -0.022 0.000) 4.436 4.435 ( 1.213 -0.471 0.000) 1.301 4.445 ( 0.884 -4.653 0.000) 4.737 4.575 ( -2.183 -3.170 0.000) 3.849 4.636 ( -2.801 0.124 0.000) 2.804 4.640 ( -0.260 1.962 0.000) 1.979 4.710 ( -2.477 -2.599 0.000) 3.590 4.756 ( -4.996 -2.959 0.000) 5.807 4.898 ( -0.570 4.026 0.000) 4.067 4.951 ( 0.466 2.537 0.000) 2.580 5.057 ( 11.611 0.162 0.000) 11.612 5.065 ( 3.506 -2.797 0.000) 4.485 5.157 ( 3.396 1.025 0.000) 3.548 5.163 ( 1.984 5.588 0.000) 5.930 5.203 ( -1.889 -0.025 0.000) 1.889 5.217 ( 6.547 -0.457 0.000) 6.563 5.277 ( 0.448 -1.345 0.000) 1.417 5.291 ( 2.776 -0.611 0.000) 2.842 5.508 ( -4.769 2.838 0.000) 5.549 5.548 ( -8.188 2.146 0.000) 8.465 5.691 ( 4.037 4.240 0.000) 5.854 5.810 ( -1.653 1.027 0.000) 1.946 5.818 ( 5.255 -1.411 0.000) 5.441 5.973 ( 0.750 -3.586 0.000) 3.663 6.099 ( 4.898 1.916 0.000) 5.259 6.249 ( 2.165 -3.355 0.000) 3.993 6.409 ( -10.597 0.127 0.000) 10.598 6.432 ( -9.230 -0.740 0.000) 9.260 7.032 ( -0.343 4.088 0.000) 4.102 7.033 ( -0.286 3.747 0.000) 3.758 7.227 ( -0.279 -3.300 0.000) 3.312 7.239 ( -0.905 -3.332 0.000) 3.453 7.766 ( 2.434 1.787 0.000) 3.019 7.869 ( 1.896 -1.846 0.000) 2.646 7.902 ( -2.748 0.628 0.000) 2.819 8.010 ( -4.969 -3.797 0.000) 6.254 9.056 ( 0.503 2.049 0.000) 2.110 9.065 ( 1.027 0.783 0.000) 1.292 9.105 ( -0.789 -0.301 0.000) 0.844 9.154 ( -3.048 -0.487 0.000) 3.086 10.274 ( 3.562 1.843 0.000) 4.010 10.340 ( -0.303 2.328 0.000) 2.347 10.385 ( -1.718 -1.788 0.000) 2.480 10.425 ( 2.736 1.270 0.000) 3.016 10.444 ( -5.460 -0.262 0.000) 5.466 10.479 ( 2.845 0.686 0.000) 2.927 10.517 ( -2.098 3.541 0.000) 4.116 10.608 ( -3.837 0.294 0.000) 3.848 11.763 ( 4.409 3.755 0.000) 5.791 11.829 ( 1.508 5.615 0.000) 5.814 12.006 ( 8.219 -4.767 0.000) 9.502 12.270 ( -5.566 -10.128 0.000) 11.557 15.496 ( 1.577 10.431 0.000) 10.549 15.564 ( -2.504 13.789 0.000) 14.014 15.994 ( -0.004 -7.332 0.000) 7.332 16.078 ( -2.956 -7.167 0.000) 7.753 16.268 ( 3.843 2.789 0.000) 4.748 16.345 ( -2.227 7.601 0.000) 7.921 16.460 ( 9.302 -4.396 0.000) 10.289 16.833 ( -10.035 -10.292 0.000) 14.375 18.087 ( 4.283 1.318 0.000) 4.482 18.173 ( 4.267 -1.762 0.000) 4.616 18.245 ( -3.850 0.550 0.000) 3.889 18.311 ( -2.305 -1.734 0.000) 2.884 ======================= Grid point 13 (10/45) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -8.722 19.709 0.000) 21.553 1.061 ( 8.722 19.709 0.000) 21.553 1.270 ( -15.075 1.081 0.000) 15.113 1.270 ( 15.075 1.081 0.000) 15.113 1.352 ( -3.132 -0.161 0.000) 3.137 1.352 ( 3.132 -0.161 0.000) 3.137 1.593 ( -0.105 1.698 0.000) 1.701 1.593 ( 0.105 1.698 0.000) 1.701 1.668 ( -0.281 -2.738 0.000) 2.752 1.668 ( 0.281 -2.738 0.000) 2.752 1.724 ( -4.847 -6.501 0.000) 8.109 1.724 ( 4.847 -6.501 0.000) 8.109 1.858 ( -4.122 -2.912 0.000) 5.047 1.858 ( 4.122 -2.912 0.000) 5.047 2.041 ( -0.278 -3.602 0.000) 3.613 2.041 ( 0.278 -3.602 0.000) 3.613 2.240 ( -0.534 3.950 0.000) 3.986 2.240 ( 0.534 3.950 0.000) 3.986 2.292 ( -5.740 -0.957 0.000) 5.819 2.292 ( 5.740 -0.957 0.000) 5.819 2.431 ( -3.827 4.198 0.000) 5.681 2.431 ( 3.827 4.198 0.000) 5.681 2.531 ( -2.028 -1.275 0.000) 2.396 2.531 ( 2.028 -1.275 0.000) 2.396 2.590 ( -0.644 -1.252 0.000) 1.408 2.590 ( 0.644 -1.252 0.000) 1.408 2.660 ( -1.672 -2.487 0.000) 2.997 2.660 ( 1.672 -2.487 0.000) 2.997 2.850 ( -2.716 3.882 0.000) 4.738 2.850 ( 2.716 3.882 0.000) 4.738 3.035 ( -0.046 -1.337 0.000) 1.337 3.035 ( 0.046 -1.337 0.000) 1.337 3.133 ( -1.848 5.617 0.000) 5.913 3.133 ( 1.848 5.617 0.000) 5.913 3.186 ( -2.430 -0.101 0.000) 2.432 3.186 ( 2.430 -0.101 0.000) 2.432 3.415 ( -1.389 4.781 0.000) 4.979 3.415 ( 1.389 4.781 0.000) 4.979 3.457 ( -0.797 -0.070 0.000) 0.800 3.457 ( 0.797 -0.070 0.000) 0.800 3.511 ( -0.225 -3.117 0.000) 3.125 3.511 ( 0.225 -3.117 0.000) 3.125 3.636 ( -1.107 -0.433 0.000) 1.189 3.636 ( 1.107 -0.433 0.000) 1.189 3.799 ( -3.449 2.410 0.000) 4.208 3.799 ( 3.449 2.410 0.000) 4.208 3.912 ( -4.494 -2.158 0.000) 4.985 3.912 ( 4.494 -2.158 0.000) 4.985 4.032 ( -2.407 1.462 0.000) 2.817 4.032 ( 2.407 1.462 0.000) 2.817 4.111 ( -0.152 1.813 0.000) 1.819 4.111 ( 0.152 1.813 0.000) 1.819 4.290 ( -4.271 -5.283 0.000) 6.793 4.290 ( 4.271 -5.283 0.000) 6.793 4.397 ( -0.047 -5.625 0.000) 5.625 4.397 ( 0.047 -5.625 0.000) 5.625 4.441 ( -0.264 -0.127 0.000) 0.293 4.441 ( 0.264 -0.127 0.000) 0.293 4.475 ( -5.707 -2.879 0.000) 6.392 4.475 ( 5.707 -2.879 0.000) 6.392 4.628 ( -1.208 -2.342 0.000) 2.635 4.628 ( 1.208 -2.342 0.000) 2.635 4.695 ( -1.289 -3.820 0.000) 4.032 4.695 ( 1.289 -3.820 0.000) 4.032 4.926 ( -2.398 5.450 0.000) 5.955 4.926 ( 2.398 5.450 0.000) 5.955 5.134 ( -3.489 -1.985 0.000) 4.014 5.134 ( 3.489 -1.985 0.000) 4.014 5.172 ( -1.175 4.469 0.000) 4.621 5.172 ( 1.175 4.469 0.000) 4.621 5.259 ( -3.274 -2.318 0.000) 4.012 5.259 ( 3.274 -2.318 0.000) 4.012 5.355 ( -9.286 2.623 0.000) 9.649 5.355 ( 9.286 2.623 0.000) 9.649 5.408 ( -7.501 1.138 0.000) 7.587 5.408 ( 7.501 1.138 0.000) 7.587 5.768 ( -3.395 2.698 0.000) 4.336 5.768 ( 3.395 2.698 0.000) 4.336 5.930 ( -5.284 -2.594 0.000) 5.886 5.930 ( 5.284 -2.594 0.000) 5.886 6.223 ( -8.543 0.804 0.000) 8.581 6.223 ( 8.543 0.804 0.000) 8.581 6.299 ( -4.267 -2.046 0.000) 4.732 6.299 ( 4.267 -2.046 0.000) 4.732 7.029 ( -0.043 3.914 0.000) 3.914 7.029 ( 0.043 3.914 0.000) 3.914 7.227 ( -0.339 -3.249 0.000) 3.266 7.227 ( 0.339 -3.249 0.000) 3.266 7.829 ( -4.156 1.453 0.000) 4.403 7.829 ( 4.156 1.453 0.000) 4.403 7.923 ( -3.863 -1.918 0.000) 4.313 7.923 ( 3.863 -1.918 0.000) 4.313 9.069 ( -0.661 0.874 0.000) 1.096 9.069 ( 0.661 0.874 0.000) 1.096 9.111 ( -1.620 -0.318 0.000) 1.651 9.111 ( 1.620 -0.318 0.000) 1.651 10.343 ( -2.092 0.056 0.000) 2.092 10.343 ( 2.092 0.056 0.000) 2.092 10.360 ( -0.974 -0.078 0.000) 0.977 10.360 ( 0.974 -0.078 0.000) 0.977 10.477 ( -2.539 1.817 0.000) 3.122 10.477 ( 2.539 1.817 0.000) 3.122 10.539 ( -3.431 0.921 0.000) 3.552 10.539 ( 3.431 0.921 0.000) 3.552 11.824 ( -1.889 4.662 0.000) 5.030 11.824 ( 1.889 4.662 0.000) 5.030 12.149 ( -7.081 -6.749 0.000) 9.782 12.149 ( 7.081 -6.749 0.000) 9.782 15.527 ( -1.700 11.305 0.000) 11.432 15.527 ( 1.700 11.305 0.000) 11.432 16.018 ( -2.563 -7.007 0.000) 7.461 16.018 ( 2.563 -7.007 0.000) 7.461 16.318 ( -1.555 4.990 0.000) 5.227 16.318 ( 1.555 4.990 0.000) 5.227 16.643 ( -10.063 -7.033 0.000) 12.277 16.643 ( 10.063 -7.033 0.000) 12.277 18.168 ( -4.261 1.058 0.000) 4.390 18.168 ( 4.261 1.058 0.000) 4.390 18.252 ( -3.863 -1.907 0.000) 4.308 18.252 ( 3.863 -1.907 0.000) 4.308 ======================= Grid point 18 (11/45) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.000 -17.697 0.000) 17.697 0.708 ( 0.000 17.697 0.000) 17.697 0.724 ( 0.000 -18.815 0.000) 18.815 0.724 ( 0.000 18.815 0.000) 18.815 1.285 ( 0.000 -4.448 0.000) 4.448 1.285 ( 0.000 4.448 0.000) 4.448 1.572 ( 0.000 -18.162 0.000) 18.162 1.572 ( 0.000 18.162 0.000) 18.162 1.590 ( 0.000 -11.901 0.000) 11.901 1.590 ( 0.000 11.901 0.000) 11.901 1.742 ( 0.000 -4.410 0.000) 4.410 1.742 ( 0.000 4.410 0.000) 4.410 2.043 ( 0.000 -6.198 0.000) 6.198 2.043 ( 0.000 6.198 0.000) 6.198 2.213 ( 0.000 -5.176 0.000) 5.176 2.213 ( 0.000 5.176 0.000) 5.176 2.266 ( 0.000 -8.890 0.000) 8.890 2.266 ( 0.000 8.890 0.000) 8.890 2.438 ( 0.000 -8.769 0.000) 8.769 2.438 ( 0.000 8.769 0.000) 8.769 2.518 ( 0.000 -0.811 0.000) 0.811 2.518 ( 0.000 0.811 0.000) 0.811 2.626 ( 0.000 -2.708 0.000) 2.708 2.626 ( 0.000 2.708 0.000) 2.708 2.690 ( 0.000 -2.047 0.000) 2.047 2.690 ( 0.000 2.047 0.000) 2.047 2.838 ( 0.000 -1.659 0.000) 1.659 2.838 ( 0.000 1.659 0.000) 1.659 2.840 ( 0.000 -6.430 0.000) 6.430 2.840 ( 0.000 6.430 0.000) 6.430 2.939 ( 0.000 -7.154 0.000) 7.154 2.939 ( 0.000 7.154 0.000) 7.154 3.102 ( 0.000 -0.405 0.000) 0.405 3.102 ( 0.000 0.405 0.000) 0.405 3.263 ( 0.000 -1.962 0.000) 1.962 3.263 ( 0.000 1.962 0.000) 1.962 3.330 ( 0.000 -1.776 0.000) 1.776 3.330 ( 0.000 1.776 0.000) 1.776 3.400 ( 0.000 -4.200 0.000) 4.200 3.400 ( 0.000 4.200 0.000) 4.200 3.542 ( 0.000 -2.465 0.000) 2.465 3.542 ( 0.000 2.465 0.000) 2.465 3.547 ( 0.000 -2.941 0.000) 2.941 3.547 ( 0.000 2.941 0.000) 2.941 3.776 ( 0.000 -2.484 0.000) 2.484 3.776 ( 0.000 2.484 0.000) 2.484 3.850 ( 0.000 -3.943 0.000) 3.943 3.850 ( 0.000 3.943 0.000) 3.943 3.853 ( 0.000 -4.540 0.000) 4.540 3.853 ( 0.000 4.540 0.000) 4.540 4.039 ( 0.000 -1.040 0.000) 1.040 4.039 ( 0.000 1.040 0.000) 1.040 4.078 ( 0.000 -8.940 0.000) 8.940 4.078 ( 0.000 8.940 0.000) 8.940 4.164 ( 0.000 -0.517 0.000) 0.517 4.164 ( 0.000 0.517 0.000) 0.517 4.302 ( 0.000 -2.853 0.000) 2.853 4.302 ( 0.000 2.853 0.000) 2.853 4.343 ( 0.000 -1.502 0.000) 1.502 4.343 ( 0.000 1.502 0.000) 1.502 4.554 ( 0.000 -2.929 0.000) 2.929 4.554 ( 0.000 2.929 0.000) 2.929 4.703 ( 0.000 -0.395 0.000) 0.395 4.703 ( 0.000 0.395 0.000) 0.395 4.815 ( 0.000 -3.292 0.000) 3.292 4.815 ( 0.000 3.292 0.000) 3.292 5.110 ( 0.000 -6.022 0.000) 6.022 5.110 ( 0.000 6.022 0.000) 6.022 5.225 ( 0.000 -0.041 0.000) 0.041 5.225 ( 0.000 0.041 0.000) 0.041 5.242 ( 0.000 -2.822 0.000) 2.822 5.242 ( 0.000 2.822 0.000) 2.822 5.537 ( 0.000 -4.980 0.000) 4.980 5.537 ( 0.000 4.980 0.000) 4.980 5.566 ( 0.000 -7.528 0.000) 7.528 5.566 ( 0.000 7.528 0.000) 7.528 5.792 ( 0.000 -2.431 0.000) 2.431 5.792 ( 0.000 2.431 0.000) 2.431 5.883 ( 0.000 -0.944 0.000) 0.944 5.883 ( 0.000 0.944 0.000) 0.944 5.929 ( 0.000 -6.877 0.000) 6.877 5.929 ( 0.000 6.877 0.000) 6.877 6.772 ( 0.000 -0.150 0.000) 0.150 6.772 ( 0.000 0.150 0.000) 0.150 7.143 ( 0.000 -5.111 0.000) 5.111 7.143 ( 0.000 5.111 0.000) 5.111 7.165 ( 0.000 -5.703 0.000) 5.703 7.165 ( 0.000 5.703 0.000) 5.703 7.736 ( 0.000 -3.041 0.000) 3.041 7.736 ( 0.000 3.041 0.000) 3.041 7.740 ( 0.000 -4.553 0.000) 4.553 7.740 ( 0.000 4.553 0.000) 4.553 9.107 ( 0.000 -3.186 0.000) 3.186 9.107 ( 0.000 3.186 0.000) 3.186 9.246 ( 0.000 -11.084 0.000) 11.084 9.246 ( 0.000 11.084 0.000) 11.084 10.314 ( 0.000 -7.709 0.000) 7.709 10.314 ( 0.000 7.709 0.000) 7.709 10.421 ( 0.000 -1.423 0.000) 1.423 10.421 ( 0.000 1.423 0.000) 1.423 10.678 ( 0.000 -4.307 0.000) 4.307 10.678 ( 0.000 4.307 0.000) 4.307 10.970 ( 0.000 -3.324 0.000) 3.324 10.970 ( 0.000 3.324 0.000) 3.324 11.558 ( 0.000 -1.488 0.000) 1.488 11.558 ( 0.000 1.488 0.000) 1.488 11.728 ( 0.000 -11.819 0.000) 11.819 11.728 ( 0.000 11.819 0.000) 11.819 15.743 ( 0.000 -14.253 0.000) 14.253 15.743 ( 0.000 14.253 0.000) 14.253 16.117 ( 0.000 -2.445 0.000) 2.445 16.117 ( 0.000 2.445 0.000) 2.445 16.158 ( 0.000 -5.354 0.000) 5.354 16.158 ( 0.000 5.354 0.000) 5.354 16.776 ( 0.000 -4.762 0.000) 4.762 16.776 ( 0.000 4.762 0.000) 4.762 17.982 ( 0.000 -2.741 0.000) 2.741 17.982 ( 0.000 2.741 0.000) 2.741 18.343 ( 0.000 -2.021 0.000) 2.021 18.343 ( 0.000 2.021 0.000) 2.021 ======================= Grid point 20 (12/45) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 3.465 -15.042 0.000) 15.436 0.731 ( 3.465 15.042 0.000) 15.436 0.896 ( 15.032 -12.357 0.000) 19.460 0.896 ( 15.032 12.357 0.000) 19.460 1.378 ( 8.653 -2.458 0.000) 8.996 1.378 ( 8.653 2.458 0.000) 8.996 1.577 ( 0.032 -13.365 0.000) 13.365 1.577 ( 0.032 13.365 0.000) 13.365 1.634 ( 4.250 -10.644 0.000) 11.461 1.634 ( 4.250 10.644 0.000) 11.461 1.744 ( -0.281 -4.198 0.000) 4.208 1.744 ( -0.281 4.198 0.000) 4.208 2.017 ( -2.792 -6.246 0.000) 6.841 2.017 ( -2.792 6.246 0.000) 6.841 2.123 ( -8.650 -3.073 0.000) 9.180 2.123 ( -8.650 3.073 0.000) 9.180 2.221 ( -3.418 -6.571 0.000) 7.407 2.221 ( -3.418 6.571 0.000) 7.407 2.397 ( -4.657 -7.635 0.000) 8.943 2.397 ( -4.657 7.635 0.000) 8.943 2.508 ( -0.592 -7.559 0.000) 7.582 2.508 ( -0.592 7.559 0.000) 7.582 2.616 ( -1.369 -3.663 0.000) 3.910 2.616 ( -1.369 3.663 0.000) 3.910 2.679 ( -1.209 -8.056 0.000) 8.147 2.679 ( -1.209 8.056 0.000) 8.147 2.748 ( -6.987 -2.988 0.000) 7.599 2.748 ( -6.987 2.988 0.000) 7.599 2.841 ( 1.837 -7.723 0.000) 7.939 2.841 ( 1.837 7.723 0.000) 7.939 2.959 ( 4.073 -6.126 0.000) 7.356 2.959 ( 4.073 6.126 0.000) 7.356 3.145 ( -7.395 -2.179 0.000) 7.709 3.145 ( -7.395 2.179 0.000) 7.709 3.157 ( 1.463 -0.706 0.000) 1.625 3.157 ( 1.463 0.706 0.000) 1.625 3.406 ( 3.401 -1.451 0.000) 3.697 3.406 ( 3.401 1.451 0.000) 3.697 3.419 ( 0.910 -4.729 0.000) 4.816 3.419 ( 0.910 4.729 0.000) 4.816 3.534 ( 0.741 -4.145 0.000) 4.211 3.534 ( 0.741 4.145 0.000) 4.211 3.570 ( 1.702 -3.252 0.000) 3.670 3.570 ( 1.702 3.252 0.000) 3.670 3.743 ( -1.493 -2.853 0.000) 3.220 3.743 ( -1.493 2.853 0.000) 3.220 3.894 ( 4.407 -3.211 0.000) 5.452 3.894 ( 4.407 3.211 0.000) 5.452 3.920 ( 4.708 -4.232 0.000) 6.331 3.920 ( 4.708 4.232 0.000) 6.331 4.051 ( 1.251 -1.900 0.000) 2.274 4.051 ( 1.251 1.900 0.000) 2.274 4.143 ( 5.108 -8.936 0.000) 10.293 4.143 ( 5.108 8.936 0.000) 10.293 4.198 ( 3.858 -1.275 0.000) 4.063 4.198 ( 3.858 1.275 0.000) 4.063 4.290 ( -1.986 -5.340 0.000) 5.697 4.290 ( -1.986 5.340 0.000) 5.697 4.442 ( 7.341 -3.629 0.000) 8.189 4.442 ( 7.341 3.629 0.000) 8.189 4.526 ( 1.376 -3.152 0.000) 3.439 4.526 ( 1.376 3.152 0.000) 3.439 4.793 ( 7.408 -4.550 0.000) 8.694 4.793 ( 7.408 4.550 0.000) 8.694 4.796 ( -2.025 -2.951 0.000) 3.579 4.796 ( -2.025 2.951 0.000) 3.579 5.061 ( -5.510 -4.938 0.000) 7.399 5.061 ( -5.510 4.938 0.000) 7.399 5.198 ( -0.352 -1.841 0.000) 1.875 5.198 ( -0.352 1.841 0.000) 1.875 5.211 ( -4.148 -4.285 0.000) 5.964 5.211 ( -4.148 4.285 0.000) 5.964 5.415 ( -10.091 -4.342 0.000) 10.985 5.415 ( -10.091 4.342 0.000) 10.985 5.627 ( 4.480 -7.372 0.000) 8.626 5.627 ( 4.480 7.372 0.000) 8.626 5.716 ( -1.989 -2.035 0.000) 2.846 5.716 ( -1.989 2.035 0.000) 2.846 5.897 ( -2.854 -5.760 0.000) 6.429 5.897 ( -2.854 5.760 0.000) 6.429 6.005 ( 6.593 -3.103 0.000) 7.287 6.005 ( 6.593 3.103 0.000) 7.287 6.725 ( -4.839 -0.280 0.000) 4.847 6.725 ( -4.839 0.280 0.000) 4.847 7.142 ( -0.097 -5.070 0.000) 5.071 7.142 ( -0.097 5.070 0.000) 5.071 7.163 ( -0.305 -5.734 0.000) 5.742 7.163 ( -0.305 5.734 0.000) 5.742 7.755 ( 1.427 -3.993 0.000) 4.240 7.755 ( 1.427 3.993 0.000) 4.240 7.824 ( 7.411 -1.533 0.000) 7.567 7.824 ( 7.411 1.533 0.000) 7.567 9.101 ( -0.519 -2.906 0.000) 2.952 9.101 ( -0.519 2.906 0.000) 2.952 9.218 ( -2.814 -9.210 0.000) 9.631 9.218 ( -2.814 9.210 0.000) 9.631 10.316 ( 0.203 -7.209 0.000) 7.212 10.316 ( 0.203 7.209 0.000) 7.212 10.415 ( -0.291 -1.364 0.000) 1.395 10.415 ( -0.291 1.364 0.000) 1.395 10.649 ( -3.490 -2.641 0.000) 4.377 10.649 ( -3.490 2.641 0.000) 4.377 10.806 ( -12.170 -3.136 0.000) 12.567 10.806 ( -12.170 3.136 0.000) 12.567 11.618 ( 5.810 -2.720 0.000) 6.415 11.618 ( 5.810 2.720 0.000) 6.415 11.858 ( 9.549 -14.943 0.000) 17.733 11.858 ( 9.549 14.943 0.000) 17.733 15.744 ( 0.160 -14.178 0.000) 14.179 15.744 ( 0.160 14.178 0.000) 14.179 16.089 ( -6.197 -2.659 0.000) 6.743 16.089 ( -6.197 2.659 0.000) 6.743 16.151 ( 3.443 -2.423 0.000) 4.211 16.151 ( 3.443 2.423 0.000) 4.211 16.744 ( -3.289 -12.611 0.000) 13.033 16.744 ( -3.289 12.611 0.000) 13.033 18.001 ( 1.982 -2.570 0.000) 3.246 18.001 ( 1.982 2.570 0.000) 3.246 18.338 ( -0.631 -1.327 0.000) 1.470 18.338 ( -0.631 1.327 0.000) 1.470 ======================= Grid point 22 (13/45) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 9.948 -11.098 0.000) 14.904 0.859 ( 9.948 11.098 0.000) 14.904 1.166 ( 11.450 -6.067 0.000) 12.958 1.166 ( 11.450 6.067 0.000) 12.958 1.557 ( 8.957 -6.412 0.000) 11.015 1.557 ( 8.957 6.412 0.000) 11.015 1.566 ( -1.073 -7.372 0.000) 7.450 1.566 ( -1.073 7.372 0.000) 7.450 1.710 ( 2.114 -10.901 0.000) 11.104 1.710 ( 2.114 10.901 0.000) 11.104 1.714 ( -3.006 -3.789 0.000) 4.837 1.714 ( -3.006 3.789 0.000) 4.837 1.931 ( -10.343 -3.765 0.000) 11.007 1.931 ( -10.343 3.765 0.000) 11.007 1.953 ( -2.828 -6.562 0.000) 7.146 1.953 ( -2.828 6.562 0.000) 7.146 2.189 ( 0.413 -4.088 0.000) 4.109 2.189 ( 0.413 4.088 0.000) 4.109 2.293 ( -4.381 -3.272 0.000) 5.468 2.293 ( -4.381 3.272 0.000) 5.468 2.490 ( -1.643 -6.080 0.000) 6.298 2.490 ( -1.643 6.080 0.000) 6.298 2.573 ( -2.768 -3.704 0.000) 4.624 2.573 ( -2.768 3.704 0.000) 4.624 2.664 ( -2.554 -1.796 0.000) 3.122 2.664 ( -2.554 1.796 0.000) 3.122 2.685 ( 1.299 -7.372 0.000) 7.486 2.685 ( 1.299 7.372 0.000) 7.486 2.887 ( 2.376 -7.765 0.000) 8.120 2.887 ( 2.376 7.765 0.000) 8.120 3.001 ( -0.831 -7.635 0.000) 7.680 3.001 ( -0.831 7.635 0.000) 7.680 3.048 ( -1.688 -2.840 0.000) 3.304 3.048 ( -1.688 2.840 0.000) 3.304 3.206 ( 5.471 -9.065 0.000) 10.588 3.206 ( 5.471 9.065 0.000) 10.588 3.395 ( -2.682 -5.076 0.000) 5.741 3.395 ( -2.682 5.076 0.000) 5.741 3.439 ( 0.501 -0.939 0.000) 1.064 3.439 ( 0.501 0.939 0.000) 1.064 3.574 ( 1.575 -3.260 0.000) 3.621 3.574 ( 1.575 3.260 0.000) 3.621 3.588 ( 0.295 -2.223 0.000) 2.243 3.588 ( 0.295 2.223 0.000) 2.243 3.750 ( 2.159 -3.621 0.000) 4.216 3.750 ( 2.159 3.621 0.000) 4.216 3.975 ( 2.399 -2.353 0.000) 3.360 3.975 ( 2.399 2.353 0.000) 3.360 4.008 ( 4.887 -3.169 0.000) 5.825 4.008 ( 4.887 3.169 0.000) 5.825 4.082 ( 1.793 -4.430 0.000) 4.780 4.082 ( 1.793 4.430 0.000) 4.780 4.202 ( 0.248 -6.226 0.000) 6.231 4.202 ( 0.248 6.226 0.000) 6.231 4.241 ( -2.014 -4.117 0.000) 4.583 4.241 ( -2.014 4.117 0.000) 4.583 4.300 ( 6.178 -2.353 0.000) 6.611 4.300 ( 6.178 2.353 0.000) 6.611 4.473 ( 0.503 -5.328 0.000) 5.351 4.473 ( 0.503 5.328 0.000) 5.351 4.698 ( 8.821 -2.330 0.000) 9.124 4.698 ( 8.821 2.330 0.000) 9.124 4.742 ( -3.445 -1.908 0.000) 3.938 4.742 ( -3.445 1.908 0.000) 3.938 4.920 ( 4.034 -2.099 0.000) 4.548 4.920 ( 4.034 2.099 0.000) 4.548 4.970 ( -2.414 -1.033 0.000) 2.626 4.970 ( -2.414 1.033 0.000) 2.626 5.094 ( -3.151 -6.802 0.000) 7.496 5.094 ( -3.151 6.802 0.000) 7.496 5.218 ( 1.777 -2.837 0.000) 3.348 5.218 ( 1.777 2.837 0.000) 3.348 5.290 ( -3.185 -1.426 0.000) 3.489 5.290 ( -3.185 1.426 0.000) 3.489 5.662 ( -2.058 -4.817 0.000) 5.238 5.662 ( -2.058 4.817 0.000) 5.238 5.715 ( 1.543 -2.329 0.000) 2.794 5.715 ( 1.543 2.329 0.000) 2.794 5.859 ( -0.141 -3.363 0.000) 3.366 5.859 ( -0.141 3.363 0.000) 3.366 6.101 ( 3.870 -4.346 0.000) 5.820 6.101 ( 3.870 4.346 0.000) 5.820 6.597 ( -8.594 -0.259 0.000) 8.598 6.597 ( -8.594 0.259 0.000) 8.598 7.138 ( -0.306 -4.954 0.000) 4.964 7.138 ( -0.306 4.954 0.000) 4.964 7.153 ( -0.662 -5.551 0.000) 5.590 7.153 ( -0.662 5.551 0.000) 5.590 7.784 ( 1.539 -3.074 0.000) 3.438 7.784 ( 1.539 3.074 0.000) 3.438 7.935 ( 3.156 -3.035 0.000) 4.379 7.935 ( 3.156 3.035 0.000) 4.379 9.091 ( -0.417 -2.154 0.000) 2.194 9.091 ( -0.417 2.154 0.000) 2.194 9.158 ( -3.072 -5.500 0.000) 6.300 9.158 ( -3.072 5.500 0.000) 6.300 10.321 ( 0.335 -5.526 0.000) 5.536 10.321 ( 0.335 5.526 0.000) 5.536 10.424 ( 1.387 -1.404 0.000) 1.973 10.424 ( 1.387 1.404 0.000) 1.973 10.525 ( -8.031 -4.142 0.000) 9.036 10.525 ( -8.031 4.142 0.000) 9.036 10.656 ( -4.315 -2.447 0.000) 4.961 10.656 ( -4.315 2.447 0.000) 4.961 11.749 ( 7.368 -4.467 0.000) 8.617 11.749 ( 7.368 4.467 0.000) 8.617 11.992 ( 4.175 -14.356 0.000) 14.951 11.992 ( 4.175 14.356 0.000) 14.951 15.750 ( 0.519 -13.636 0.000) 13.646 15.750 ( 0.519 13.636 0.000) 13.646 15.967 ( -6.044 -9.956 0.000) 11.647 15.967 ( -6.044 9.956 0.000) 11.647 16.239 ( 5.655 -2.985 0.000) 6.394 16.239 ( 5.655 2.985 0.000) 6.394 16.663 ( -4.970 -15.060 0.000) 15.859 16.663 ( -4.970 15.060 0.000) 15.859 18.054 ( 3.478 -2.288 0.000) 4.163 18.054 ( 3.478 2.288 0.000) 4.163 18.316 ( -1.797 -0.847 0.000) 1.986 18.316 ( -1.797 0.847 0.000) 1.986 ======================= Grid point 24 (14/45) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 12.962 -7.316 0.000) 14.884 1.082 ( 12.962 7.316 0.000) 14.884 1.312 ( 5.274 -10.643 0.000) 11.878 1.312 ( 5.274 10.643 0.000) 11.878 1.521 ( -5.027 -3.516 0.000) 6.134 1.521 ( -5.027 3.516 0.000) 6.134 1.613 ( -6.704 -8.361 0.000) 10.717 1.613 ( -6.704 8.361 0.000) 10.717 1.643 ( -2.925 -3.870 0.000) 4.851 1.643 ( -2.925 3.870 0.000) 4.851 1.694 ( -1.523 -3.032 0.000) 3.393 1.694 ( -1.523 3.032 0.000) 3.393 1.826 ( 1.369 -8.082 0.000) 8.197 1.826 ( 1.369 8.082 0.000) 8.197 1.935 ( -0.337 -4.472 0.000) 4.484 1.935 ( -0.337 4.472 0.000) 4.484 2.236 ( 4.595 -3.573 0.000) 5.821 2.236 ( 4.595 3.573 0.000) 5.821 2.281 ( 2.495 -0.930 0.000) 2.663 2.281 ( 2.495 0.930 0.000) 2.663 2.460 ( -1.069 -3.059 0.000) 3.240 2.460 ( -1.069 3.059 0.000) 3.240 2.519 ( -3.105 -2.144 0.000) 3.773 2.519 ( -3.105 2.144 0.000) 3.773 2.624 ( -1.748 -4.358 0.000) 4.696 2.624 ( -1.748 4.358 0.000) 4.696 2.667 ( -3.142 -2.534 0.000) 4.036 2.667 ( -3.142 2.534 0.000) 4.036 2.933 ( 2.087 -8.603 0.000) 8.852 2.933 ( 2.087 8.603 0.000) 8.852 2.973 ( -1.228 -6.058 0.000) 6.181 2.973 ( -1.228 6.058 0.000) 6.181 3.094 ( 5.562 -1.255 0.000) 5.702 3.094 ( 5.562 1.255 0.000) 5.702 3.270 ( -1.870 -3.658 0.000) 4.108 3.270 ( -1.870 3.658 0.000) 4.108 3.393 ( 4.520 -5.477 0.000) 7.102 3.393 ( 4.520 5.477 0.000) 7.102 3.443 ( 0.385 -1.500 0.000) 1.549 3.443 ( 0.385 1.500 0.000) 1.549 3.579 ( -0.694 -3.788 0.000) 3.851 3.579 ( -0.694 3.788 0.000) 3.851 3.586 ( -0.438 -2.608 0.000) 2.645 3.586 ( -0.438 2.608 0.000) 2.645 3.796 ( 2.330 -2.214 0.000) 3.214 3.796 ( 2.330 2.214 0.000) 3.214 3.946 ( -4.649 -2.014 0.000) 5.067 3.946 ( -4.649 2.014 0.000) 5.067 4.090 ( -0.781 -5.665 0.000) 5.719 4.090 ( -0.781 5.665 0.000) 5.719 4.094 ( 1.935 -3.260 0.000) 3.791 4.094 ( 1.935 3.260 0.000) 3.791 4.183 ( 1.420 -5.486 0.000) 5.666 4.183 ( 1.420 5.486 0.000) 5.666 4.263 ( 3.194 -2.143 0.000) 3.846 4.263 ( 3.194 2.143 0.000) 3.846 4.402 ( 4.007 -1.516 0.000) 4.284 4.402 ( 4.007 1.516 0.000) 4.284 4.488 ( 0.305 -4.010 0.000) 4.021 4.488 ( 0.305 4.010 0.000) 4.021 4.672 ( -7.015 -3.121 0.000) 7.678 4.672 ( -7.015 3.121 0.000) 7.678 4.675 ( -3.564 -1.008 0.000) 3.704 4.675 ( -3.564 1.008 0.000) 3.704 4.980 ( 2.773 -4.066 0.000) 4.921 4.980 ( 2.773 4.066 0.000) 4.921 5.020 ( 5.851 -3.218 0.000) 6.677 5.020 ( 5.851 3.218 0.000) 6.677 5.159 ( 5.059 -1.465 0.000) 5.267 5.159 ( 5.059 1.465 0.000) 5.267 5.246 ( 0.734 -2.041 0.000) 2.169 5.246 ( 0.734 2.041 0.000) 2.169 5.278 ( 3.253 -2.100 0.000) 3.872 5.278 ( 3.253 2.100 0.000) 3.872 5.564 ( -7.253 -1.390 0.000) 7.385 5.564 ( -7.253 1.390 0.000) 7.385 5.771 ( 4.209 -2.937 0.000) 5.133 5.771 ( 4.209 2.937 0.000) 5.133 5.874 ( 0.490 -4.657 0.000) 4.683 5.874 ( 0.490 4.657 0.000) 4.683 6.164 ( 3.320 -3.831 0.000) 5.069 6.164 ( 3.320 3.831 0.000) 5.069 6.416 ( -9.966 -0.548 0.000) 9.981 6.416 ( -9.966 0.548 0.000) 9.981 7.133 ( -0.202 -4.887 0.000) 4.891 7.133 ( -0.202 4.887 0.000) 4.891 7.140 ( -0.598 -5.252 0.000) 5.286 7.140 ( -0.598 5.252 0.000) 5.286 7.817 ( 2.237 -2.612 0.000) 3.439 7.817 ( 2.237 2.612 0.000) 3.439 7.936 ( -2.447 -2.568 0.000) 3.547 7.936 ( -2.447 2.568 0.000) 3.547 9.088 ( 0.060 -1.132 0.000) 1.133 9.088 ( 0.060 1.132 0.000) 1.133 9.113 ( -1.604 -2.792 0.000) 3.220 9.113 ( -1.604 2.792 0.000) 3.220 10.330 ( 0.720 -2.870 0.000) 2.959 10.330 ( 0.720 2.870 0.000) 2.959 10.408 ( -4.326 -2.953 0.000) 5.237 10.408 ( -4.326 2.953 0.000) 5.237 10.466 ( 2.915 -1.737 0.000) 3.393 10.466 ( 2.915 1.737 0.000) 3.393 10.588 ( -3.330 -2.337 0.000) 4.069 10.588 ( -3.330 2.337 0.000) 4.069 11.878 ( 6.079 -6.205 0.000) 8.686 11.878 ( 6.079 6.205 0.000) 8.686 12.020 ( -0.868 -11.225 0.000) 11.259 12.020 ( -0.868 11.225 0.000) 11.259 15.767 ( 1.364 -12.700 0.000) 12.773 15.767 ( 1.364 12.700 0.000) 12.773 15.870 ( -4.290 -12.227 0.000) 12.958 15.870 ( -4.290 12.227 0.000) 12.958 16.352 ( 6.141 -4.739 0.000) 7.757 16.352 ( 6.141 4.739 0.000) 7.757 16.565 ( -5.284 -12.365 0.000) 13.446 16.565 ( -5.284 12.365 0.000) 13.446 18.127 ( 4.142 -2.205 0.000) 4.692 18.127 ( 4.142 2.205 0.000) 4.692 18.270 ( -3.030 -1.732 0.000) 3.490 18.270 ( -3.030 1.732 0.000) 3.490 ======================= Grid point 26 (15/45) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -9.925 -2.830 0.000) 10.320 1.314 ( -9.925 2.830 0.000) 10.320 1.314 ( 9.925 -2.830 0.000) 10.320 1.314 ( 9.925 2.830 0.000) 10.320 1.465 ( -5.735 -14.439 0.000) 15.536 1.465 ( 5.735 -14.439 0.000) 15.536 1.465 ( -5.735 14.439 0.000) 15.536 1.465 ( 5.735 14.439 0.000) 15.536 1.644 ( -2.329 -1.923 0.000) 3.020 1.644 ( 2.329 -1.923 0.000) 3.020 1.644 ( -2.329 1.923 0.000) 3.020 1.644 ( 2.329 1.923 0.000) 3.020 1.897 ( -3.727 -6.970 0.000) 7.903 1.897 ( 3.727 -6.970 0.000) 7.903 1.897 ( -3.727 6.970 0.000) 7.903 1.897 ( 3.727 6.970 0.000) 7.903 2.314 ( -1.260 -0.815 0.000) 1.500 2.314 ( 1.260 -0.815 0.000) 1.500 2.314 ( -1.260 0.815 0.000) 1.500 2.314 ( 1.260 0.815 0.000) 1.500 2.462 ( -1.923 -2.590 0.000) 3.226 2.462 ( 1.923 -2.590 0.000) 3.226 2.462 ( -1.923 2.590 0.000) 3.226 2.462 ( 1.923 2.590 0.000) 3.226 2.615 ( -1.300 -2.332 0.000) 2.670 2.615 ( 1.300 -2.332 0.000) 2.670 2.615 ( -1.300 2.332 0.000) 2.670 2.615 ( 1.300 2.332 0.000) 2.670 2.957 ( -0.741 -4.981 0.000) 5.036 2.957 ( 0.741 -4.981 0.000) 5.036 2.957 ( -0.741 4.981 0.000) 5.036 2.957 ( 0.741 4.981 0.000) 5.036 3.200 ( -4.802 -0.457 0.000) 4.823 3.200 ( -4.802 0.457 0.000) 4.823 3.200 ( 4.802 -0.457 0.000) 4.823 3.200 ( 4.802 0.457 0.000) 4.823 3.455 ( -0.269 -1.214 0.000) 1.243 3.455 ( 0.269 -1.214 0.000) 1.243 3.455 ( -0.269 1.214 0.000) 1.243 3.455 ( 0.269 1.214 0.000) 1.243 3.572 ( -0.667 -5.822 0.000) 5.860 3.572 ( 0.667 -5.822 0.000) 5.860 3.572 ( -0.667 5.822 0.000) 5.860 3.572 ( 0.667 5.822 0.000) 5.860 3.852 ( -4.244 -2.874 0.000) 5.126 3.852 ( 4.244 -2.874 0.000) 5.126 3.852 ( -4.244 2.874 0.000) 5.126 3.852 ( 4.244 2.874 0.000) 5.126 4.082 ( -0.445 -3.548 0.000) 3.576 4.082 ( 0.445 -3.548 0.000) 3.576 4.082 ( -0.445 3.548 0.000) 3.576 4.082 ( 0.445 3.548 0.000) 3.576 4.271 ( -3.816 -3.824 0.000) 5.402 4.271 ( 3.816 -3.824 0.000) 5.402 4.271 ( -3.816 3.824 0.000) 5.402 4.271 ( 3.816 3.824 0.000) 5.402 4.454 ( -2.550 -0.712 0.000) 2.647 4.454 ( -2.550 0.712 0.000) 2.647 4.454 ( 2.550 -0.712 0.000) 2.647 4.454 ( 2.550 0.712 0.000) 2.647 4.620 ( -1.503 -1.994 0.000) 2.497 4.620 ( 1.503 -1.994 0.000) 2.497 4.620 ( -1.503 1.994 0.000) 2.497 4.620 ( 1.503 1.994 0.000) 2.497 5.040 ( -2.564 -5.201 0.000) 5.798 5.040 ( 2.564 -5.201 0.000) 5.798 5.040 ( -2.564 5.201 0.000) 5.798 5.040 ( 2.564 5.201 0.000) 5.798 5.231 ( -2.553 -1.186 0.000) 2.815 5.231 ( -2.553 1.186 0.000) 2.815 5.231 ( 2.553 -1.186 0.000) 2.815 5.231 ( 2.553 1.186 0.000) 2.815 5.411 ( -8.688 -1.497 0.000) 8.816 5.411 ( -8.688 1.497 0.000) 8.816 5.411 ( 8.688 -1.497 0.000) 8.816 5.411 ( 8.688 1.497 0.000) 8.816 5.850 ( -3.245 -4.295 0.000) 5.383 5.850 ( 3.245 -4.295 0.000) 5.383 5.850 ( -3.245 4.295 0.000) 5.383 5.850 ( 3.245 4.295 0.000) 5.383 6.252 ( -6.716 -1.903 0.000) 6.980 6.252 ( -6.716 1.903 0.000) 6.980 6.252 ( 6.716 -1.903 0.000) 6.980 6.252 ( 6.716 1.903 0.000) 6.980 7.133 ( -0.204 -4.992 0.000) 4.996 7.133 ( 0.204 -4.992 0.000) 4.996 7.133 ( -0.204 4.992 0.000) 4.996 7.133 ( 0.204 4.992 0.000) 4.996 7.873 ( -3.569 -2.393 0.000) 4.297 7.873 ( 3.569 -2.393 0.000) 4.297 7.873 ( -3.569 2.393 0.000) 4.297 7.873 ( 3.569 2.393 0.000) 4.297 9.094 ( -0.600 -1.149 0.000) 1.296 9.094 ( 0.600 -1.149 0.000) 1.296 9.094 ( -0.600 1.149 0.000) 1.296 9.094 ( 0.600 1.149 0.000) 1.296 10.353 ( -1.860 -0.636 0.000) 1.966 10.353 ( -1.860 0.636 0.000) 1.966 10.353 ( 1.860 -0.636 0.000) 1.966 10.353 ( 1.860 0.636 0.000) 1.966 10.526 ( -3.290 -2.004 0.000) 3.853 10.526 ( 3.290 -2.004 0.000) 3.853 10.526 ( -3.290 2.004 0.000) 3.853 10.526 ( 3.290 2.004 0.000) 3.853 11.973 ( -3.924 -8.349 0.000) 9.225 11.973 ( 3.924 -8.349 0.000) 9.225 11.973 ( -3.924 8.349 0.000) 9.225 11.973 ( 3.924 8.349 0.000) 9.225 15.805 ( -2.706 -12.248 0.000) 12.543 15.805 ( 2.706 -12.248 0.000) 12.543 15.805 ( -2.706 12.248 0.000) 12.543 15.805 ( 2.706 12.248 0.000) 12.543 16.464 ( -5.635 -8.141 0.000) 9.901 16.464 ( 5.635 -8.141 0.000) 9.901 16.464 ( -5.635 8.141 0.000) 9.901 16.464 ( 5.635 8.141 0.000) 9.901 18.204 ( -3.923 -2.154 0.000) 4.476 18.204 ( 3.923 -2.154 0.000) 4.476 18.204 ( -3.923 2.154 0.000) 4.476 18.204 ( 3.923 2.154 0.000) 4.476 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.294 ( 0.000 0.000 14.390) 14.390 0.319 ( 0.000 0.000 13.903) 13.903 0.629 ( 0.000 0.000 26.901) 26.901 0.739 ( 0.000 0.000 -4.023) 4.023 0.949 ( 0.000 0.000 -12.585) 12.585 1.426 ( 0.000 0.000 -4.979) 4.979 1.481 ( 0.000 0.000 6.827) 6.827 1.690 ( 0.000 0.000 2.833) 2.833 1.720 ( 0.000 0.000 -4.393) 4.393 1.803 ( 0.000 0.000 1.292) 1.292 1.846 ( 0.000 0.000 0.771) 0.771 1.924 ( 0.000 0.000 -4.077) 4.077 1.924 ( 0.000 0.000 -1.649) 1.649 1.931 ( 0.000 0.000 -0.915) 0.915 1.933 ( 0.000 0.000 -6.827) 6.827 2.005 ( 0.000 0.000 -4.483) 4.483 2.133 ( 0.000 0.000 5.478) 5.478 2.219 ( 0.000 0.000 0.602) 0.602 2.232 ( 0.000 0.000 -0.718) 0.718 2.290 ( 0.000 0.000 -0.149) 0.149 2.327 ( 0.000 0.000 9.126) 9.126 2.528 ( 0.000 0.000 4.846) 4.846 2.533 ( 0.000 0.000 4.527) 4.527 2.617 ( 0.000 0.000 -0.357) 0.357 2.700 ( 0.000 0.000 -3.359) 3.359 2.748 ( 0.000 0.000 -1.055) 1.055 2.755 ( 0.000 0.000 -0.266) 0.266 2.821 ( 0.000 0.000 -3.579) 3.579 2.886 ( 0.000 0.000 2.086) 2.086 2.972 ( 0.000 0.000 0.797) 0.797 3.009 ( 0.000 0.000 -1.290) 1.290 3.086 ( 0.000 0.000 -2.308) 2.308 3.120 ( 0.000 0.000 4.059) 4.059 3.135 ( 0.000 0.000 -4.093) 4.093 3.179 ( 0.000 0.000 -3.271) 3.271 3.276 ( 0.000 0.000 -2.677) 2.677 3.298 ( 0.000 0.000 -1.257) 1.257 3.303 ( 0.000 0.000 1.462) 1.462 3.350 ( 0.000 0.000 -8.419) 8.419 3.400 ( 0.000 0.000 -5.295) 5.295 3.458 ( 0.000 0.000 -3.633) 3.633 3.501 ( 0.000 0.000 3.369) 3.369 3.531 ( 0.000 0.000 0.482) 0.482 3.637 ( 0.000 0.000 -1.904) 1.904 3.729 ( 0.000 0.000 0.004) 0.004 3.759 ( 0.000 0.000 2.939) 2.939 3.824 ( 0.000 0.000 -3.785) 3.785 3.893 ( 0.000 0.000 0.321) 0.321 3.903 ( 0.000 0.000 7.624) 7.624 3.962 ( 0.000 0.000 5.829) 5.829 3.965 ( 0.000 0.000 2.447) 2.447 4.085 ( 0.000 0.000 -2.470) 2.470 4.097 ( 0.000 0.000 -0.864) 0.864 4.175 ( 0.000 0.000 2.600) 2.600 4.177 ( 0.000 0.000 -0.668) 0.668 4.311 ( 0.000 0.000 -6.302) 6.302 4.373 ( 0.000 0.000 2.035) 2.035 4.452 ( 0.000 0.000 -1.040) 1.040 4.477 ( 0.000 0.000 0.849) 0.849 4.498 ( 0.000 0.000 0.334) 0.334 4.528 ( 0.000 0.000 0.662) 0.662 4.538 ( 0.000 0.000 1.308) 1.308 4.700 ( 0.000 0.000 -3.415) 3.415 4.723 ( 0.000 0.000 11.379) 11.379 4.734 ( 0.000 0.000 -0.692) 0.692 4.836 ( 0.000 0.000 5.729) 5.729 5.052 ( 0.000 0.000 0.860) 0.860 5.094 ( 0.000 0.000 -3.466) 3.466 5.133 ( 0.000 0.000 -3.052) 3.052 5.171 ( 0.000 0.000 -4.350) 4.350 5.182 ( 0.000 0.000 5.093) 5.093 5.264 ( 0.000 0.000 2.861) 2.861 5.292 ( 0.000 0.000 1.838) 1.838 5.386 ( 0.000 0.000 -1.676) 1.676 5.475 ( 0.000 0.000 -2.102) 2.102 5.634 ( 0.000 0.000 -10.437) 10.437 5.765 ( 0.000 0.000 0.182) 0.182 5.804 ( 0.000 0.000 -1.527) 1.527 5.864 ( 0.000 0.000 0.475) 0.475 5.887 ( 0.000 0.000 -0.430) 0.430 6.260 ( 0.000 0.000 6.369) 6.369 6.372 ( 0.000 0.000 0.118) 0.118 6.792 ( 0.000 0.000 1.637) 1.637 6.876 ( 0.000 0.000 -1.234) 1.234 6.999 ( 0.000 0.000 0.054) 0.054 7.005 ( 0.000 0.000 -0.211) 0.211 7.301 ( 0.000 0.000 0.455) 0.455 7.322 ( 0.000 0.000 -0.311) 0.311 7.647 ( 0.000 0.000 -0.292) 0.292 7.681 ( 0.000 0.000 -1.881) 1.881 7.846 ( 0.000 0.000 1.780) 1.780 7.885 ( 0.000 0.000 0.030) 0.030 9.003 ( 0.000 0.000 0.193) 0.193 9.016 ( 0.000 0.000 -0.266) 0.266 9.140 ( 0.000 0.000 0.734) 0.734 9.180 ( 0.000 0.000 -0.727) 0.727 10.177 ( 0.000 0.000 2.627) 2.627 10.268 ( 0.000 0.000 -0.323) 0.323 10.278 ( 0.000 0.000 -0.492) 0.492 10.309 ( 0.000 0.000 -2.198) 2.198 10.553 ( 0.000 0.000 3.814) 3.814 10.733 ( 0.000 0.000 -2.915) 2.915 10.830 ( 0.000 0.000 0.254) 0.254 10.837 ( 0.000 0.000 0.001) 0.001 11.470 ( 0.000 0.000 0.798) 0.798 11.514 ( 0.000 0.000 -0.822) 0.822 12.078 ( 0.000 0.000 -0.012) 0.012 12.079 ( 0.000 0.000 -0.063) 0.063 15.327 ( 0.000 0.000 0.264) 0.264 15.344 ( 0.000 0.000 -0.364) 0.364 16.031 ( 0.000 0.000 -0.160) 0.160 16.043 ( 0.000 0.000 -0.491) 0.491 16.224 ( 0.000 0.000 4.802) 4.802 16.250 ( 0.000 0.000 1.875) 1.875 16.356 ( 0.000 0.000 -2.145) 2.145 16.514 ( 0.000 0.000 -5.813) 5.813 18.085 ( 0.000 0.000 2.487) 2.487 18.237 ( 0.000 0.000 -3.572) 3.572 18.369 ( 0.000 0.000 1.599) 1.599 18.404 ( 0.000 0.000 -0.187) 0.187 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 9.133 0.000 9.610) 13.257 0.593 ( 11.081 0.000 15.811) 19.308 0.801 ( 5.901 0.000 -3.827) 7.034 0.886 ( 30.354 0.000 11.863) 32.590 1.055 ( 9.150 0.000 -8.522) 12.504 1.490 ( 8.789 0.000 -2.925) 9.263 1.593 ( 8.276 0.000 2.302) 8.590 1.603 ( -8.205 0.000 2.857) 8.688 1.742 ( -1.104 0.000 -1.133) 1.582 1.764 ( -5.508 0.000 0.488) 5.529 1.797 ( 0.706 0.000 -0.320) 0.775 1.885 ( -2.861 0.000 -2.595) 3.862 1.913 ( 0.275 0.000 -4.089) 4.099 1.962 ( 0.554 0.000 -2.149) 2.219 1.971 ( 3.238 0.000 -2.295) 3.968 2.024 ( 2.127 0.000 -4.891) 5.334 2.094 ( -4.451 0.000 3.115) 5.433 2.149 ( -9.087 0.000 2.941) 9.551 2.181 ( -2.045 0.000 -0.477) 2.100 2.287 ( 0.426 0.000 -0.332) 0.540 2.325 ( -1.700 0.000 7.719) 7.904 2.468 ( -3.070 0.000 3.799) 4.884 2.494 ( -2.393 0.000 5.750) 6.228 2.610 ( 0.561 0.000 -4.561) 4.595 2.650 ( -4.242 0.000 -1.961) 4.673 2.717 ( -7.099 0.000 -0.764) 7.140 2.755 ( 0.544 0.000 -0.479) 0.725 2.840 ( 3.894 0.000 -1.153) 4.061 2.879 ( -0.693 0.000 -0.170) 0.713 2.938 ( -4.780 0.000 0.675) 4.827 2.961 ( -4.533 0.000 1.664) 4.828 3.040 ( -3.613 0.000 1.971) 4.116 3.104 ( -2.611 0.000 1.536) 3.029 3.157 ( 0.183 0.000 -5.678) 5.681 3.195 ( 2.056 0.000 -3.694) 4.228 3.227 ( -4.577 0.000 -1.302) 4.759 3.299 ( -0.403 0.000 -0.823) 0.916 3.303 ( -3.990 0.000 -5.765) 7.011 3.403 ( 6.878 0.000 -1.607) 7.063 3.411 ( 1.096 0.000 -4.334) 4.471 3.422 ( -2.188 0.000 -2.686) 3.464 3.475 ( 5.239 0.000 -0.113) 5.241 3.587 ( -0.488 0.000 -5.620) 5.641 3.689 ( 6.612 0.000 -4.261) 7.866 3.755 ( 3.534 0.000 2.530) 4.346 3.810 ( 4.392 0.000 4.511) 6.296 3.840 ( 0.880 0.000 0.650) 1.094 3.898 ( 1.991 0.000 3.564) 4.082 3.989 ( 6.120 0.000 5.519) 8.241 4.005 ( 2.282 0.000 4.394) 4.951 4.012 ( 4.053 0.000 1.838) 4.451 4.106 ( 0.836 0.000 -1.051) 1.343 4.120 ( 4.049 0.000 -5.135) 6.539 4.205 ( 0.063 0.000 -2.893) 2.894 4.257 ( 5.379 0.000 3.402) 6.365 4.364 ( -0.483 0.000 1.856) 1.918 4.413 ( 9.942 0.000 -1.640) 10.077 4.440 ( -7.082 0.000 2.586) 7.539 4.508 ( 2.996 0.000 1.169) 3.216 4.511 ( 4.589 0.000 -1.654) 4.878 4.576 ( 4.688 0.000 0.722) 4.743 4.588 ( 6.289 0.000 -1.468) 6.458 4.685 ( -0.460 0.000 -0.544) 0.712 4.702 ( -6.846 0.000 -2.165) 7.180 4.741 ( 1.168 0.000 8.817) 8.894 4.778 ( 3.655 0.000 3.154) 4.828 5.035 ( -4.549 0.000 -0.539) 4.581 5.050 ( -0.197 0.000 0.649) 0.678 5.077 ( -1.813 0.000 -2.820) 3.353 5.184 ( 1.338 0.000 -4.452) 4.649 5.227 ( -2.752 0.000 3.272) 4.275 5.283 ( -0.915 0.000 1.786) 2.007 5.360 ( 5.882 0.000 0.953) 5.959 5.375 ( -1.152 0.000 -1.644) 2.008 5.443 ( -0.634 0.000 -1.079) 1.252 5.493 ( -10.664 0.000 -6.936) 12.721 5.756 ( -0.956 0.000 0.279) 0.996 5.787 ( 0.514 0.000 -0.666) 0.841 5.931 ( 3.328 0.000 0.175) 3.333 5.979 ( 4.095 0.000 -1.768) 4.460 6.072 ( -13.646 0.000 10.592) 17.274 6.215 ( -5.366 0.000 3.018) 6.156 6.746 ( -4.998 0.000 1.242) 5.150 6.760 ( -6.494 0.000 1.389) 6.640 6.998 ( -0.104 0.000 0.014) 0.105 7.002 ( -0.393 0.000 -0.133) 0.415 7.294 ( -0.666 0.000 0.403) 0.778 7.314 ( -0.819 0.000 -0.306) 0.874 7.679 ( 4.559 0.000 3.033) 5.476 7.863 ( 2.896 0.000 -0.105) 2.898 7.884 ( 0.184 0.000 0.266) 0.323 8.067 ( 13.762 0.000 -16.933) 21.820 9.004 ( 0.190 0.000 0.217) 0.289 9.018 ( 0.276 0.000 -0.274) 0.389 9.138 ( -0.218 0.000 0.707) 0.740 9.178 ( -0.224 0.000 -0.764) 0.796 10.182 ( 0.742 0.000 2.532) 2.639 10.275 ( 0.751 0.000 -0.091) 0.757 10.294 ( 1.619 0.000 -0.599) 1.726 10.311 ( 0.702 0.000 -2.377) 2.479 10.540 ( -1.328 0.000 3.619) 3.855 10.609 ( -10.652 0.000 7.870) 13.244 10.711 ( -2.222 0.000 -2.768) 3.549 10.774 ( -9.134 0.000 -2.096) 9.371 11.542 ( 5.991 0.000 -0.046) 5.992 11.552 ( 4.625 0.000 -0.236) 4.631 11.900 ( 2.201 0.000 12.387) 12.581 12.428 ( 8.043 0.000 -14.754) 16.804 15.333 ( 0.664 0.000 0.287) 0.723 15.351 ( 0.706 0.000 -0.361) 0.792 16.048 ( 2.653 0.000 -0.163) 2.658 16.076 ( 3.314 0.000 -0.581) 3.364 16.199 ( -2.441 0.000 4.329) 4.970 16.263 ( 5.034 0.000 5.492) 7.450 16.461 ( -5.362 0.000 -5.229) 7.490 16.732 ( 20.043 0.000 -23.746) 31.075 18.073 ( -1.466 0.000 2.456) 2.860 18.158 ( -5.326 0.000 1.332) 5.490 18.351 ( -0.277 0.000 2.260) 2.277 18.384 ( -2.162 0.000 0.016) 2.163 ======================= Grid point 47 (18/45) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 6.242 0.000 6.495) 9.008 0.794 ( 12.080 0.000 13.979) 18.475 0.921 ( 5.537 0.000 -3.914) 6.781 1.230 ( 9.219 0.000 -5.173) 10.572 1.442 ( -6.842 0.000 4.003) 7.927 1.457 ( 24.245 0.000 3.255) 24.462 1.593 ( -11.436 0.000 -0.366) 11.442 1.652 ( -2.108 0.000 1.524) 2.601 1.688 ( 3.551 0.000 1.932) 4.043 1.741 ( 5.729 0.000 -1.086) 5.831 1.822 ( -2.718 0.000 -3.254) 4.240 1.879 ( 4.523 0.000 -3.495) 5.716 1.926 ( -1.931 0.000 -1.340) 2.351 1.951 ( -4.225 0.000 1.653) 4.537 1.983 ( 4.789 0.000 0.373) 4.804 2.028 ( 0.835 0.000 1.228) 1.485 2.069 ( 0.349 0.000 -1.565) 1.604 2.097 ( 5.855 0.000 -3.135) 6.641 2.168 ( 0.080 0.000 -0.643) 0.648 2.237 ( -5.682 0.000 3.972) 6.932 2.251 ( -2.682 0.000 -2.453) 3.634 2.441 ( -3.185 0.000 1.425) 3.489 2.475 ( 2.312 0.000 4.034) 4.650 2.605 ( -2.474 0.000 -1.745) 3.027 2.620 ( 3.078 0.000 1.579) 3.459 2.665 ( 0.553 0.000 1.170) 1.294 2.755 ( -4.804 0.000 2.526) 5.427 2.799 ( -6.996 0.000 -1.555) 7.166 2.814 ( -3.723 0.000 0.822) 3.812 2.834 ( -2.366 0.000 -2.615) 3.526 2.857 ( -4.098 0.000 0.477) 4.125 3.011 ( -2.739 0.000 -1.466) 3.107 3.052 ( 0.058 0.000 -1.271) 1.272 3.147 ( -0.607 0.000 -4.985) 5.021 3.168 ( -2.023 0.000 2.497) 3.214 3.244 ( -1.697 0.000 -3.942) 4.292 3.248 ( 2.936 0.000 -5.711) 6.422 3.263 ( -2.247 0.000 -1.476) 2.689 3.365 ( -2.863 0.000 -5.634) 6.320 3.445 ( 0.947 0.000 -7.753) 7.811 3.524 ( 5.635 0.000 6.598) 8.677 3.595 ( 5.773 0.000 1.935) 6.089 3.643 ( 6.364 0.000 -1.292) 6.494 3.792 ( 0.002 0.000 2.431) 2.431 3.810 ( 3.465 0.000 -0.898) 3.579 3.842 ( -0.330 0.000 0.851) 0.913 3.910 ( 5.618 0.000 5.649) 7.967 3.950 ( 3.131 0.000 2.790) 4.194 4.022 ( -0.666 0.000 2.907) 2.982 4.087 ( -4.269 0.000 0.977) 4.379 4.103 ( 3.782 0.000 1.680) 4.139 4.119 ( 8.143 0.000 0.067) 8.144 4.179 ( -1.616 0.000 -3.720) 4.056 4.235 ( 7.310 0.000 -7.418) 10.414 4.275 ( -7.770 0.000 2.501) 8.162 4.306 ( 0.734 0.000 -0.212) 0.764 4.367 ( 1.109 0.000 1.504) 1.869 4.512 ( 0.200 0.000 5.274) 5.278 4.552 ( -0.778 0.000 -3.078) 3.174 4.575 ( 3.109 0.000 2.069) 3.734 4.682 ( 5.544 0.000 0.944) 5.624 4.684 ( 2.332 0.000 -2.236) 3.231 4.715 ( 3.554 0.000 -0.105) 3.556 4.763 ( 1.291 0.000 9.171) 9.262 4.771 ( 12.310 0.000 -0.426) 12.317 4.874 ( 2.691 0.000 -2.353) 3.574 5.003 ( 3.163 0.000 -0.724) 3.245 5.018 ( -3.496 0.000 -1.847) 3.954 5.064 ( 1.145 0.000 0.862) 1.433 5.120 ( -3.754 0.000 2.608) 4.571 5.214 ( 1.470 0.000 -3.881) 4.150 5.235 ( -11.216 0.000 -2.923) 11.590 5.261 ( -1.157 0.000 1.177) 1.650 5.346 ( -1.800 0.000 -1.645) 2.438 5.477 ( 4.280 0.000 0.252) 4.288 5.501 ( 3.266 0.000 -0.569) 3.316 5.718 ( -5.327 0.000 3.353) 6.295 5.766 ( -0.594 0.000 -0.355) 0.692 5.897 ( -3.857 0.000 1.415) 4.109 5.960 ( -1.037 0.000 -0.759) 1.285 6.046 ( 4.467 0.000 4.160) 6.104 6.214 ( 3.083 0.000 -2.153) 3.760 6.610 ( -9.046 0.000 0.909) 9.091 6.620 ( -8.825 0.000 0.455) 8.836 6.992 ( -0.507 0.000 0.020) 0.508 6.994 ( -0.273 0.000 -0.045) 0.277 7.279 ( -0.871 0.000 0.259) 0.909 7.294 ( -1.171 0.000 -0.284) 1.205 7.742 ( 1.911 0.000 3.359) 3.864 7.871 ( -0.382 0.000 -0.617) 0.726 7.923 ( 1.730 0.000 0.915) 1.957 8.132 ( -3.631 0.000 -8.788) 9.509 9.013 ( 0.829 0.000 0.260) 0.869 9.029 ( 0.946 0.000 -0.304) 0.993 9.129 ( -0.756 0.000 0.626) 0.981 9.168 ( -0.987 0.000 -0.780) 1.258 10.213 ( 2.613 0.000 2.373) 3.529 10.297 ( 1.607 0.000 0.473) 1.675 10.337 ( 2.845 0.000 -0.846) 2.969 10.344 ( 2.610 0.000 -3.007) 3.982 10.491 ( -3.072 0.000 3.558) 4.701 10.506 ( -2.214 0.000 3.093) 3.804 10.595 ( -8.694 0.000 -1.309) 8.792 10.654 ( -3.689 0.000 -2.407) 4.405 11.641 ( 5.404 0.000 0.624) 5.440 11.678 ( 6.417 0.000 -1.137) 6.517 11.998 ( 6.190 0.000 9.188) 11.079 12.446 ( -3.684 0.000 -8.866) 9.601 15.351 ( 1.199 0.000 0.308) 1.238 15.368 ( 1.050 0.000 -0.311) 1.095 16.123 ( 4.888 0.000 0.188) 4.892 16.142 ( -3.280 0.000 3.098) 4.512 16.161 ( 5.357 0.000 -0.397) 5.372 16.331 ( -7.891 0.000 -3.775) 8.747 16.391 ( 7.710 0.000 5.901) 9.709 16.918 ( 1.107 0.000 -17.981) 18.015 18.049 ( 0.366 0.000 3.093) 3.115 18.127 ( 1.162 0.000 -0.030) 1.163 18.325 ( -3.337 0.000 0.770) 3.425 18.351 ( -0.831 0.000 -0.058) 0.833 ======================= Grid point 48 (19/45) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 4.810 0.000 5.329) 7.178 0.948 ( -4.047 0.000 -3.332) 5.243 1.049 ( 14.550 0.000 8.817) 17.013 1.380 ( -0.452 0.000 3.746) 3.773 1.393 ( 7.701 0.000 -5.461) 9.441 1.429 ( -3.930 0.000 3.388) 5.188 1.556 ( -9.312 0.000 2.181) 9.565 1.616 ( -2.074 0.000 1.632) 2.639 1.713 ( -0.413 0.000 0.718) 0.829 1.777 ( 2.949 0.000 3.280) 4.411 1.795 ( -1.421 0.000 -0.250) 1.442 1.853 ( -2.941 0.000 -2.582) 3.913 1.892 ( -4.697 0.000 -3.984) 6.159 1.941 ( -5.085 0.000 1.862) 5.415 2.043 ( 2.337 0.000 2.921) 3.741 2.100 ( 7.480 0.000 -3.312) 8.181 2.124 ( 0.583 0.000 -0.767) 0.963 2.163 ( 2.868 0.000 -1.260) 3.133 2.220 ( 1.948 0.000 -3.685) 4.168 2.259 ( 3.339 0.000 -1.533) 3.674 2.278 ( 13.134 0.000 1.251) 13.194 2.444 ( 3.179 0.000 -3.251) 4.547 2.458 ( -6.418 0.000 1.257) 6.540 2.505 ( -7.360 0.000 0.484) 7.376 2.627 ( -1.966 0.000 4.570) 4.975 2.681 ( 1.752 0.000 1.489) 2.299 2.702 ( -4.275 0.000 0.945) 4.378 2.742 ( 7.288 0.000 2.691) 7.769 2.778 ( -3.240 0.000 -0.145) 3.243 2.808 ( 2.783 0.000 1.163) 3.016 2.863 ( 3.149 0.000 -6.065) 6.834 2.968 ( -2.134 0.000 -6.278) 6.631 3.060 ( 0.689 0.000 0.269) 0.740 3.126 ( -2.440 0.000 2.423) 3.439 3.146 ( 0.571 0.000 -2.716) 2.776 3.222 ( -2.116 0.000 -0.070) 2.118 3.242 ( 1.095 0.000 -3.377) 3.550 3.305 ( 3.007 0.000 -6.352) 7.027 3.315 ( -2.460 0.000 -4.815) 5.407 3.439 ( -1.771 0.000 -8.373) 8.558 3.631 ( 5.818 0.000 9.799) 11.396 3.668 ( 1.594 0.000 3.887) 4.201 3.724 ( -3.473 0.000 1.970) 3.993 3.769 ( 3.273 0.000 1.543) 3.618 3.814 ( -2.447 0.000 8.043) 8.407 3.848 ( 0.031 0.000 1.216) 1.216 3.929 ( -5.561 0.000 2.841) 6.245 3.989 ( 3.012 0.000 3.652) 4.733 4.007 ( 2.391 0.000 1.380) 2.761 4.032 ( -2.020 0.000 0.233) 2.034 4.080 ( -4.545 0.000 -0.292) 4.554 4.113 ( -3.941 0.000 -2.273) 4.550 4.266 ( 6.378 0.000 -7.891) 10.146 4.276 ( 5.254 0.000 0.432) 5.272 4.343 ( 2.650 0.000 -1.705) 3.151 4.351 ( 3.571 0.000 -7.309) 8.135 4.413 ( 3.810 0.000 0.925) 3.920 4.487 ( -2.210 0.000 4.950) 5.421 4.515 ( -2.306 0.000 -3.184) 3.932 4.574 ( -4.025 0.000 0.904) 4.125 4.714 ( 1.047 0.000 -0.010) 1.047 4.756 ( 2.674 0.000 1.050) 2.873 4.768 ( -4.361 0.000 -1.904) 4.758 4.774 ( 1.926 0.000 1.170) 2.253 4.804 ( 2.896 0.000 7.160) 7.724 4.942 ( -4.396 0.000 0.396) 4.414 5.049 ( 6.614 0.000 1.211) 6.724 5.079 ( 3.095 0.000 0.904) 3.224 5.104 ( 2.947 0.000 1.102) 3.147 5.116 ( 3.130 0.000 0.234) 3.139 5.204 ( 9.862 0.000 -2.074) 10.077 5.212 ( -1.824 0.000 0.435) 1.876 5.262 ( 1.224 0.000 -2.862) 3.113 5.312 ( -1.624 0.000 -1.971) 2.553 5.487 ( -3.772 0.000 0.912) 3.881 5.511 ( -5.819 0.000 -0.501) 5.840 5.658 ( 3.139 0.000 2.607) 4.081 5.770 ( 0.182 0.000 -2.216) 2.224 5.870 ( 2.715 0.000 2.558) 3.730 5.988 ( 1.931 0.000 -1.979) 2.765 6.123 ( 3.770 0.000 3.324) 5.026 6.265 ( 2.082 0.000 -2.169) 3.007 6.418 ( -10.905 0.000 0.724) 10.929 6.440 ( -9.401 0.000 -0.135) 9.402 6.985 ( -0.264 0.000 0.100) 0.282 6.988 ( -0.337 0.000 -0.031) 0.338 7.265 ( -0.498 0.000 0.071) 0.503 7.273 ( -0.909 0.000 -0.222) 0.936 7.768 ( 1.498 0.000 1.919) 2.434 7.865 ( -0.771 0.000 -1.569) 1.748 7.921 ( -1.134 0.000 1.395) 1.798 8.026 ( -5.906 0.000 -3.005) 6.627 9.035 ( 1.457 0.000 0.295) 1.486 9.052 ( 1.436 0.000 -0.323) 1.472 9.110 ( -1.102 0.000 0.452) 1.191 9.141 ( -1.763 0.000 -0.665) 1.884 10.276 ( 3.955 0.000 1.931) 4.402 10.335 ( 2.355 0.000 1.108) 2.603 10.392 ( 2.267 0.000 -0.563) 2.336 10.397 ( 2.693 0.000 -2.734) 3.838 10.444 ( -3.963 0.000 0.595) 4.007 10.466 ( -1.248 0.000 1.822) 2.208 10.474 ( -2.951 0.000 -0.277) 2.964 10.578 ( -4.262 0.000 -1.951) 4.688 11.732 ( 3.960 0.000 0.839) 4.048 11.767 ( 2.784 0.000 -0.436) 2.818 12.110 ( 5.811 0.000 4.255) 7.202 12.344 ( -6.348 0.000 -4.368) 7.706 15.375 ( 1.205 0.000 0.240) 1.229 15.386 ( 0.723 0.000 -0.161) 0.740 16.093 ( -1.520 0.000 1.489) 2.128 16.189 ( -6.603 0.000 -2.004) 6.900 16.216 ( 4.516 0.000 1.016) 4.629 16.252 ( 3.513 0.000 0.721) 3.587 16.539 ( 8.087 0.000 2.926) 8.600 16.848 ( -6.885 0.000 -8.463) 10.910 18.091 ( 3.514 0.000 1.539) 3.837 18.172 ( 2.951 0.000 -1.692) 3.402 18.258 ( -3.389 0.000 1.264) 3.617 18.320 ( -2.498 0.000 -1.129) 2.742 ======================= Grid point 49 (20/45) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -8.871 0.000 1.410) 8.983 0.804 ( 8.871 0.000 1.410) 8.983 1.322 ( -13.860 0.000 4.540) 14.584 1.322 ( 13.860 0.000 4.540) 14.584 1.397 ( -1.372 0.000 4.101) 4.324 1.397 ( 1.372 0.000 4.101) 4.324 1.529 ( -6.103 0.000 -3.288) 6.932 1.529 ( 6.103 0.000 -3.288) 6.932 1.752 ( -3.414 0.000 1.949) 3.931 1.752 ( 3.414 0.000 1.949) 3.931 1.830 ( -1.027 0.000 -5.616) 5.709 1.830 ( 1.027 0.000 -5.616) 5.709 1.831 ( -4.382 0.000 4.215) 6.080 1.831 ( 4.382 0.000 4.215) 6.080 2.090 ( -2.371 0.000 2.106) 3.171 2.090 ( 2.371 0.000 2.106) 3.171 2.204 ( -3.196 0.000 -3.577) 4.797 2.204 ( 3.196 0.000 -3.577) 4.797 2.284 ( -6.968 0.000 -0.308) 6.975 2.284 ( 6.968 0.000 -0.308) 6.975 2.371 ( -5.124 0.000 -0.555) 5.154 2.371 ( 5.124 0.000 -0.555) 5.154 2.455 ( -3.773 0.000 -3.480) 5.133 2.455 ( 3.773 0.000 -3.480) 5.133 2.644 ( -2.216 0.000 3.190) 3.884 2.644 ( 2.216 0.000 3.190) 3.884 2.722 ( -2.585 0.000 1.018) 2.778 2.722 ( 2.585 0.000 1.018) 2.778 2.852 ( -1.815 0.000 1.898) 2.626 2.852 ( 1.815 0.000 1.898) 2.626 2.921 ( -2.854 0.000 -6.429) 7.034 2.921 ( 2.854 0.000 -6.429) 7.034 3.084 ( -1.880 0.000 1.165) 2.212 3.084 ( 1.880 0.000 1.165) 2.212 3.173 ( -2.687 0.000 -0.665) 2.768 3.173 ( 2.687 0.000 -0.665) 2.768 3.273 ( -2.018 0.000 -3.994) 4.475 3.273 ( 2.018 0.000 -3.994) 4.475 3.373 ( -4.419 0.000 -6.714) 8.038 3.373 ( 4.419 0.000 -6.714) 8.038 3.678 ( -0.399 0.000 2.286) 2.321 3.678 ( 0.399 0.000 2.286) 2.321 3.737 ( -5.215 0.000 10.560) 11.777 3.737 ( 5.215 0.000 10.560) 11.777 3.807 ( -2.687 0.000 4.141) 4.937 3.807 ( 2.687 0.000 4.141) 4.937 3.949 ( -5.412 0.000 0.619) 5.447 3.949 ( 5.412 0.000 0.619) 5.447 4.025 ( -0.586 0.000 2.065) 2.147 4.025 ( 0.586 0.000 2.065) 2.147 4.059 ( -1.653 0.000 -2.771) 3.226 4.059 ( 1.653 0.000 -2.771) 3.226 4.352 ( -2.762 0.000 -7.984) 8.448 4.352 ( 2.762 0.000 -7.984) 8.448 4.363 ( -2.024 0.000 -0.409) 2.065 4.363 ( 2.024 0.000 -0.409) 2.065 4.477 ( -2.270 0.000 -1.997) 3.024 4.477 ( 2.270 0.000 -1.997) 3.024 4.480 ( -3.202 0.000 1.390) 3.490 4.480 ( 3.202 0.000 1.390) 3.490 4.727 ( -0.781 0.000 0.450) 0.901 4.727 ( 0.781 0.000 0.450) 0.901 4.790 ( -0.582 0.000 0.821) 1.006 4.790 ( 0.582 0.000 0.821) 1.006 4.861 ( -3.796 0.000 4.516) 5.900 4.861 ( 3.796 0.000 4.516) 5.900 5.080 ( -0.841 0.000 0.252) 0.878 5.080 ( 0.841 0.000 0.252) 0.878 5.164 ( -3.085 0.000 1.036) 3.254 5.164 ( 3.085 0.000 1.036) 3.254 5.286 ( -1.259 0.000 -2.711) 2.989 5.286 ( 1.259 0.000 -2.711) 2.989 5.324 ( -10.877 0.000 1.137) 10.936 5.324 ( 10.877 0.000 1.137) 10.936 5.381 ( -7.601 0.000 -0.920) 7.656 5.381 ( 7.601 0.000 -0.920) 7.656 5.743 ( -3.572 0.000 0.351) 3.589 5.743 ( 3.572 0.000 0.351) 3.589 5.965 ( -5.001 0.000 0.486) 5.024 5.965 ( 5.001 0.000 0.486) 5.024 6.226 ( -8.133 0.000 1.017) 8.196 6.226 ( 8.133 0.000 1.017) 8.196 6.312 ( -3.684 0.000 -1.094) 3.843 6.312 ( 3.684 0.000 -1.094) 3.843 6.983 ( -0.124 0.000 0.055) 0.135 6.983 ( 0.124 0.000 0.055) 0.135 7.262 ( -0.226 0.000 -0.102) 0.248 7.262 ( 0.226 0.000 -0.102) 0.248 7.815 ( -3.487 0.000 0.173) 3.491 7.815 ( 3.487 0.000 0.173) 3.491 7.940 ( -3.101 0.000 -0.453) 3.134 7.940 ( 3.101 0.000 -0.453) 3.134 9.062 ( -0.980 0.000 0.190) 0.998 9.062 ( 0.980 0.000 0.190) 0.998 9.108 ( -1.361 0.000 -0.314) 1.397 9.108 ( 1.361 0.000 -0.314) 1.397 10.356 ( -4.461 0.000 1.144) 4.606 10.356 ( 4.461 0.000 1.144) 4.606 10.382 ( -2.368 0.000 1.473) 2.788 10.382 ( 2.368 0.000 1.473) 2.788 10.441 ( -1.789 0.000 -1.548) 2.366 10.441 ( 1.789 0.000 -1.548) 2.366 10.499 ( -3.825 0.000 -1.250) 4.024 10.499 ( 3.825 0.000 -1.250) 4.024 11.782 ( -1.091 0.000 0.548) 1.220 11.782 ( 1.091 0.000 0.548) 1.220 12.223 ( -6.270 0.000 -0.447) 6.286 12.223 ( 6.270 0.000 -0.447) 6.286 15.391 ( -0.323 0.000 0.059) 0.328 15.391 ( 0.323 0.000 0.059) 0.328 16.100 ( -2.556 0.000 -0.232) 2.566 16.100 ( 2.556 0.000 -0.232) 2.566 16.274 ( -1.220 0.000 1.520) 1.949 16.274 ( 1.220 0.000 1.520) 1.949 16.697 ( -8.579 0.000 -2.174) 8.850 16.697 ( 8.579 0.000 -2.174) 8.850 18.163 ( -3.713 0.000 0.492) 3.746 18.163 ( 3.713 0.000 0.492) 3.746 18.261 ( -3.353 0.000 -1.029) 3.508 18.261 ( 3.353 0.000 -1.029) 3.508 ======================= Grid point 54 (21/45) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 0.000 10.395 7.889) 13.050 0.591 ( 0.000 7.638 15.581) 17.352 0.945 ( 0.000 0.976 -7.410) 7.474 1.008 ( 0.000 28.683 4.187) 28.987 1.010 ( 0.000 16.877 2.281) 17.030 1.216 ( 0.000 -11.447 -1.625) 11.562 1.291 ( 0.000 -8.583 5.801) 10.359 1.531 ( 0.000 -11.619 -6.420) 13.275 1.745 ( 0.000 -1.319 2.373) 2.715 1.776 ( 0.000 -7.189 -3.325) 7.921 1.793 ( 0.000 -5.700 -2.643) 6.283 1.919 ( 0.000 -6.251 -0.404) 6.264 1.950 ( 0.000 8.726 0.906) 8.772 1.985 ( 0.000 8.307 -1.823) 8.505 2.044 ( 0.000 5.759 2.682) 6.353 2.085 ( 0.000 4.756 -3.854) 6.121 2.219 ( 0.000 5.198 1.313) 5.362 2.234 ( 0.000 -1.259 -3.166) 3.407 2.251 ( 0.000 8.010 4.991) 9.438 2.458 ( 0.000 8.295 1.476) 8.425 2.463 ( 0.000 6.306 0.368) 6.317 2.570 ( 0.000 1.943 5.098) 5.455 2.628 ( 0.000 -0.649 -5.254) 5.294 2.645 ( 0.000 4.251 1.363) 4.464 2.727 ( 0.000 2.008 -4.430) 4.864 2.737 ( 0.000 -1.340 -1.060) 1.709 2.748 ( 0.000 0.363 1.433) 1.478 2.808 ( 0.000 -1.864 -2.789) 3.355 2.835 ( 0.000 -3.446 3.551) 4.948 2.964 ( 0.000 -6.555 1.281) 6.679 2.977 ( 0.000 -0.398 0.099) 0.410 3.033 ( 0.000 -1.150 -3.389) 3.579 3.046 ( 0.000 -7.454 -0.977) 7.518 3.096 ( 0.000 -3.560 -7.508) 8.309 3.167 ( 0.000 2.308 -2.895) 3.703 3.213 ( 0.000 1.730 -0.935) 1.967 3.336 ( 0.000 3.263 -0.015) 3.263 3.363 ( 0.000 -0.463 -5.318) 5.338 3.377 ( 0.000 -1.838 2.923) 3.453 3.421 ( 0.000 0.602 -3.683) 3.732 3.468 ( 0.000 0.985 -5.468) 5.556 3.476 ( 0.000 -1.608 -0.241) 1.626 3.501 ( 0.000 1.378 2.564) 2.911 3.644 ( 0.000 -2.915 -5.979) 6.652 3.698 ( 0.000 -0.256 2.207) 2.222 3.716 ( 0.000 -1.459 -0.247) 1.480 3.832 ( 0.000 -0.105 1.430) 1.434 3.845 ( 0.000 -2.967 0.728) 3.055 3.887 ( 0.000 -1.246 1.932) 2.299 3.977 ( 0.000 1.982 4.327) 4.759 4.038 ( 0.000 4.336 3.082) 5.320 4.072 ( 0.000 0.197 1.731) 1.742 4.080 ( 0.000 -3.651 -1.378) 3.902 4.180 ( 0.000 -0.344 -1.967) 1.997 4.206 ( 0.000 -0.676 0.393) 0.782 4.269 ( 0.000 -1.863 -1.762) 2.564 4.295 ( 0.000 -1.171 6.913) 7.011 4.329 ( 0.000 -7.614 -1.560) 7.772 4.391 ( 0.000 -3.428 -2.924) 4.506 4.471 ( 0.000 0.631 2.963) 3.030 4.493 ( 0.000 -0.635 1.092) 1.263 4.607 ( 0.000 -7.764 11.286) 13.698 4.651 ( 0.000 -2.591 -6.224) 6.742 4.655 ( 0.000 2.915 -1.242) 3.168 4.777 ( 0.000 1.023 -0.916) 1.373 4.897 ( 0.000 2.734 4.906) 5.616 5.011 ( 0.000 3.910 0.889) 4.010 5.173 ( 0.000 2.249 -3.144) 3.865 5.186 ( 0.000 3.114 -0.283) 3.127 5.234 ( 0.000 2.925 2.364) 3.761 5.235 ( 0.000 -1.002 1.910) 2.157 5.282 ( 0.000 3.541 -1.904) 4.021 5.332 ( 0.000 2.578 -0.140) 2.581 5.440 ( 0.000 3.109 -0.406) 3.136 5.525 ( 0.000 5.630 -3.892) 6.844 5.615 ( 0.000 -1.548 -8.689) 8.826 5.724 ( 0.000 -3.650 0.312) 3.663 5.765 ( 0.000 -3.383 -2.181) 4.025 5.867 ( 0.000 0.290 0.355) 0.459 5.882 ( 0.000 -0.358 -0.350) 0.501 6.127 ( 0.000 -9.720 11.327) 14.926 6.186 ( 0.000 -5.639 5.501) 7.877 6.789 ( 0.000 -0.156 1.451) 1.459 6.808 ( 0.000 -1.727 1.780) 2.480 7.043 ( 0.000 3.740 0.109) 3.742 7.052 ( 0.000 3.837 -0.242) 3.844 7.254 ( 0.000 -4.010 0.548) 4.047 7.276 ( 0.000 -4.043 -0.291) 4.054 7.663 ( 0.000 1.445 0.485) 1.524 7.668 ( 0.000 1.843 -0.516) 1.914 7.805 ( 0.000 -2.173 1.069) 2.421 7.838 ( 0.000 -3.502 0.100) 3.504 9.043 ( 0.000 2.486 0.067) 2.487 9.056 ( 0.000 4.848 -0.463) 4.870 9.165 ( 0.000 0.236 1.631) 1.648 9.375 ( 0.000 -2.167 -9.455) 9.700 10.192 ( 0.000 4.096 1.867) 4.502 10.306 ( 0.000 6.864 -5.081) 8.540 10.361 ( 0.000 4.279 0.638) 4.326 10.433 ( 0.000 0.707 -1.883) 2.011 10.571 ( 0.000 3.960 3.718) 5.432 10.717 ( 0.000 -1.047 -1.781) 2.065 10.880 ( 0.000 3.598 -0.374) 3.617 10.920 ( 0.000 4.277 -3.526) 5.543 11.523 ( 0.000 5.298 0.198) 5.301 11.531 ( 0.000 1.747 -0.082) 1.749 11.807 ( 0.000 -13.263 9.410) 16.262 11.965 ( 0.000 -9.594 -0.878) 9.634 15.479 ( 0.000 12.596 2.813) 12.906 15.910 ( 0.000 14.255 -16.582) 21.867 16.063 ( 0.000 1.657 -0.489) 1.727 16.073 ( 0.000 5.048 -2.158) 5.490 16.148 ( 0.000 -4.060 2.955) 5.021 16.281 ( 0.000 -5.276 -0.738) 5.327 16.297 ( 0.000 6.874 -9.753) 11.932 16.542 ( 0.000 0.880 -9.826) 9.866 18.072 ( 0.000 -1.030 2.846) 3.026 18.142 ( 0.000 -6.444 3.975) 7.571 18.328 ( 0.000 -0.264 2.258) 2.274 18.384 ( 0.000 -1.600 -0.259) 1.621 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.12 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 7.391 6.487 14.722) 17.705 0.724 ( 19.355 8.703 5.708) 21.976 0.963 ( 3.825 5.747 0.006) 6.904 1.102 ( 9.315 12.664 -3.595) 16.127 1.124 ( 9.982 19.376 2.486) 21.937 1.262 ( 6.363 -13.002 0.993) 14.509 1.385 ( 7.678 -7.190 1.235) 10.591 1.586 ( 4.236 -9.425 -4.963) 11.463 1.712 ( -2.474 -1.851 1.440) 3.409 1.755 ( -1.683 -4.326 -1.320) 4.826 1.794 ( -0.711 -1.981 -2.850) 3.543 1.871 ( -4.563 -1.931 -2.035) 5.356 1.919 ( -1.235 2.928 1.819) 3.662 2.004 ( -0.644 4.442 -0.398) 4.507 2.056 ( -0.242 3.430 -0.741) 3.517 2.073 ( -0.475 3.928 -2.554) 4.709 2.145 ( -4.148 3.066 0.235) 5.163 2.221 ( -1.927 4.598 1.697) 5.266 2.237 ( -2.905 6.670 4.312) 8.456 2.378 ( -3.947 6.628 2.762) 8.194 2.443 ( -5.018 5.858 -0.027) 7.713 2.530 ( -7.356 4.206 0.752) 8.507 2.584 ( -1.631 4.326 -1.974) 5.028 2.618 ( -5.298 -2.130 -1.584) 5.926 2.623 ( 1.140 -0.543 -2.067) 2.422 2.666 ( -4.834 -0.324 -0.138) 4.847 2.754 ( -2.705 -3.464 -2.350) 4.983 2.798 ( 1.193 -3.174 -1.860) 3.868 2.857 ( 0.044 -4.872 1.465) 5.088 2.890 ( -0.633 -0.647 5.028) 5.109 2.955 ( -4.379 -0.758 -0.288) 4.454 3.027 ( 0.236 -1.810 1.314) 2.249 3.093 ( 1.348 2.103 -2.752) 3.716 3.137 ( -3.343 -1.579 -1.277) 3.912 3.217 ( 1.211 -0.159 -3.038) 3.274 3.253 ( 4.234 -0.152 -2.782) 5.068 3.300 ( -1.819 -0.142 -0.134) 1.829 3.311 ( -2.482 0.816 -4.448) 5.159 3.385 ( -2.594 0.601 -1.365) 2.992 3.401 ( 3.317 1.750 0.285) 3.761 3.447 ( -0.430 0.721 -5.615) 5.678 3.493 ( 3.058 1.132 0.435) 3.290 3.566 ( -1.739 -2.245 -5.868) 6.519 3.615 ( 7.930 -5.925 -1.421) 10.001 3.738 ( 3.260 0.192 1.017) 3.421 3.779 ( 2.060 -2.246 0.606) 3.107 3.855 ( 3.101 1.073 0.146) 3.285 3.900 ( 3.839 -1.473 0.370) 4.129 3.939 ( 5.702 -1.413 4.494) 7.397 4.028 ( 2.703 1.773 1.318) 3.491 4.066 ( 1.932 1.850 3.826) 4.668 4.080 ( 0.539 -0.457 1.691) 1.832 4.116 ( 2.889 -3.858 -0.457) 4.841 4.187 ( -0.191 -1.117 -2.749) 2.973 4.239 ( 3.578 -1.044 0.251) 3.735 4.269 ( -1.444 -3.811 2.914) 5.010 4.361 ( 2.404 -3.334 2.981) 5.077 4.368 ( 7.833 -1.843 0.075) 8.047 4.475 ( 5.708 -0.951 -1.722) 6.037 4.496 ( 4.034 -1.475 1.909) 4.700 4.537 ( 3.459 -3.442 2.438) 5.455 4.595 ( 0.649 -1.418 -1.065) 1.889 4.625 ( 1.469 -1.849 1.093) 2.602 4.744 ( 5.218 1.838 -1.569) 5.750 4.796 ( 2.908 0.608 -1.448) 3.305 4.861 ( -3.701 4.459 4.666) 7.440 4.998 ( -1.034 0.078 -0.244) 1.066 5.088 ( -8.391 2.749 -2.424) 9.156 5.130 ( -1.642 5.590 1.411) 5.995 5.196 ( -2.463 0.136 -1.044) 2.679 5.233 ( -3.183 -0.803 2.948) 4.413 5.278 ( -1.239 -1.345 0.984) 2.076 5.307 ( -1.318 0.412 -1.446) 2.000 5.430 ( -7.260 -1.433 -3.855) 8.344 5.502 ( 0.097 5.148 -0.002) 5.149 5.561 ( 0.996 5.971 -4.082) 7.302 5.736 ( 0.331 -1.975 -0.136) 2.007 5.757 ( 0.571 -2.522 -0.327) 2.607 5.936 ( 4.944 0.032 0.521) 4.971 5.962 ( 3.579 -1.539 -1.838) 4.308 6.005 ( -8.359 -2.721 9.259) 12.768 6.143 ( -2.600 -4.969 2.684) 6.218 6.740 ( -5.086 -0.324 1.157) 5.226 6.748 ( -5.470 -0.662 1.063) 5.611 7.042 ( -0.108 3.751 0.064) 3.753 7.049 ( -0.355 3.963 -0.185) 3.983 7.250 ( -0.428 -3.800 0.483) 3.855 7.272 ( -0.582 -3.861 -0.336) 3.919 7.700 ( 3.759 2.050 2.039) 4.742 7.840 ( 1.864 -2.355 0.167) 3.009 7.842 ( 3.227 -3.145 -0.157) 4.508 7.870 ( 11.986 -6.345 -3.835) 14.093 9.043 ( 0.037 2.271 0.037) 2.272 9.054 ( -0.221 4.332 -0.401) 4.356 9.155 ( -0.957 -0.041 1.388) 1.687 9.314 ( -5.522 -0.588 -6.362) 8.445 10.203 ( 1.169 3.899 1.876) 4.482 10.310 ( 0.412 5.843 -4.305) 7.269 10.363 ( 0.363 3.780 0.266) 3.807 10.425 ( -0.735 0.618 -1.794) 2.035 10.559 ( -1.421 3.956 3.293) 5.340 10.658 ( -9.223 2.383 3.158) 10.036 10.726 ( -6.033 2.431 -0.706) 6.543 10.797 ( -10.606 1.228 -2.144) 10.890 11.577 ( 4.517 2.595 0.687) 5.255 11.608 ( 7.026 6.202 -0.548) 9.388 11.812 ( 4.934 -6.659 9.493) 12.602 12.174 ( 10.660 -16.666 -6.393) 20.791 15.480 ( 0.165 12.227 2.413) 12.464 15.752 ( -11.141 21.876 -9.616) 26.366 16.045 ( 0.523 -3.084 1.211) 3.354 16.080 ( 1.249 -0.236 -0.226) 1.291 16.133 ( 0.915 -2.134 3.999) 4.624 16.240 ( 3.194 -2.376 3.440) 5.262 16.452 ( -2.185 0.383 -7.234) 7.567 16.677 ( 12.711 -4.882 -20.187) 24.350 18.060 ( -1.132 -0.802 3.236) 3.521 18.111 ( -1.628 -3.185 3.310) 4.873 18.332 ( 0.149 -0.549 1.395) 1.507 18.366 ( -1.714 -1.282 -0.143) 2.145 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 10.799 4.661 11.992) 16.798 0.945 ( 5.086 20.698 4.076) 21.700 1.085 ( 7.522 2.667 1.518) 8.123 1.239 ( 5.821 8.368 -4.666) 11.210 1.365 ( 2.739 -4.580 4.602) 7.047 1.424 ( 16.572 -0.678 1.436) 16.648 1.542 ( 5.213 -3.192 -2.691) 6.679 1.624 ( 0.430 -3.436 0.167) 3.467 1.674 ( -1.434 -1.480 -1.111) 2.341 1.726 ( -2.467 -1.530 0.343) 2.923 1.759 ( -2.166 -3.293 -2.685) 4.769 1.787 ( -3.338 -0.454 -1.454) 3.669 1.912 ( 0.328 -0.220 0.886) 0.970 1.966 ( -0.490 -3.135 -0.299) 3.187 2.027 ( -2.550 -1.717 1.216) 3.306 2.061 ( 0.635 1.793 -0.486) 1.963 2.129 ( -5.341 2.010 2.475) 6.220 2.137 ( 0.325 5.104 -1.956) 5.476 2.221 ( 0.069 3.163 0.358) 3.183 2.272 ( -7.344 2.536 -3.299) 8.441 2.353 ( 0.572 7.017 2.304) 7.408 2.453 ( -1.351 4.403 0.010) 4.605 2.563 ( -1.374 -2.673 -0.253) 3.016 2.574 ( -0.021 2.681 -1.133) 2.911 2.603 ( -0.116 -0.620 1.074) 1.246 2.643 ( -1.414 1.737 0.433) 2.281 2.728 ( -0.715 -3.114 -1.105) 3.381 2.767 ( -4.402 -2.713 1.442) 5.368 2.828 ( -4.613 -1.313 0.238) 4.802 2.862 ( 0.537 2.520 -3.774) 4.569 2.901 ( -1.509 6.115 3.705) 7.308 3.024 ( 2.338 -2.028 0.317) 3.112 3.086 ( -1.118 -1.954 -2.807) 3.598 3.128 ( -1.006 3.626 -1.082) 3.916 3.167 ( -1.357 0.010 1.873) 2.312 3.230 ( -1.207 0.504 -3.268) 3.520 3.279 ( -0.273 0.818 -4.567) 4.648 3.320 ( -2.125 3.041 -2.141) 4.284 3.389 ( -1.231 0.681 -6.647) 6.794 3.403 ( 1.498 -0.147 -4.514) 4.758 3.525 ( 6.205 -2.062 0.464) 6.555 3.555 ( 2.600 -0.610 4.648) 5.361 3.613 ( 5.831 -1.811 -1.360) 6.255 3.731 ( 2.418 -4.997 2.776) 6.206 3.773 ( 1.138 -2.867 2.772) 4.148 3.845 ( 4.552 -2.037 -2.633) 5.639 3.914 ( 2.598 1.563 0.514) 3.075 3.971 ( 2.134 1.069 2.662) 3.576 4.028 ( 1.403 -4.072 -1.265) 4.489 4.051 ( -1.480 0.175 2.622) 3.016 4.088 ( 1.993 -2.917 -0.571) 3.578 4.105 ( 2.783 1.295 0.372) 3.092 4.160 ( 1.437 -3.216 1.124) 3.697 4.176 ( -0.470 0.502 -2.431) 2.527 4.278 ( 2.649 -0.366 0.581) 2.736 4.296 ( 2.035 0.053 -0.113) 2.039 4.349 ( -0.067 -2.558 1.296) 2.868 4.457 ( 1.337 -3.393 4.762) 5.998 4.534 ( -0.514 -1.216 2.859) 3.150 4.590 ( 3.306 0.402 -1.072) 3.499 4.599 ( 2.253 -1.339 0.232) 2.631 4.695 ( 6.216 -0.738 0.240) 6.264 4.723 ( 7.755 -1.304 3.664) 8.675 4.755 ( -2.417 2.786 0.344) 3.704 4.874 ( 4.920 3.549 -2.906) 6.726 4.896 ( 5.032 1.807 -1.164) 5.472 4.935 ( -5.163 -4.155 -2.865) 7.221 5.001 ( 1.833 -2.418 -1.106) 3.230 5.084 ( -3.501 -2.450 2.509) 4.955 5.137 ( 0.758 4.612 1.221) 4.831 5.201 ( -3.115 -1.015 -1.309) 3.528 5.249 ( -3.203 1.196 -0.538) 3.461 5.265 ( -0.261 -1.500 0.538) 1.615 5.301 ( -1.561 0.824 -0.452) 1.822 5.547 ( 1.683 5.002 0.827) 5.342 5.596 ( 1.953 5.510 -1.998) 6.178 5.714 ( -4.217 -0.672 1.278) 4.457 5.746 ( -0.449 -1.681 -0.574) 1.832 5.894 ( -3.846 -0.222 2.815) 4.772 5.955 ( -0.451 -0.816 0.683) 1.156 6.033 ( 4.955 -0.074 1.926) 5.317 6.170 ( 3.532 -3.512 -2.026) 5.377 6.606 ( -8.915 -0.264 0.764) 8.952 6.613 ( -8.797 -0.520 0.464) 8.824 7.038 ( -0.268 3.738 0.005) 3.748 7.040 ( -0.484 4.041 -0.071) 4.070 7.239 ( -0.683 -3.490 0.307) 3.570 7.255 ( -1.039 -3.530 -0.291) 3.691 7.754 ( 1.831 1.245 2.468) 3.316 7.846 ( 0.283 -1.983 -0.286) 2.023 7.911 ( 2.303 -0.738 0.257) 2.432 8.013 ( 2.009 -6.672 -4.279) 8.177 9.047 ( 0.515 1.696 -0.054) 1.773 9.051 ( 0.013 3.134 -0.203) 3.141 9.133 ( -1.273 -0.424 0.911) 1.621 9.211 ( -4.650 0.043 -2.271) 5.175 10.237 ( 2.396 3.054 1.745) 4.256 10.321 ( 0.765 3.833 -2.483) 4.630 10.379 ( 1.234 2.651 -0.114) 2.926 10.417 ( 0.321 0.200 -1.390) 1.440 10.484 ( -4.939 1.885 3.554) 6.370 10.545 ( -2.350 2.807 2.618) 4.501 10.602 ( -8.536 0.502 -1.183) 8.632 10.656 ( -3.635 0.029 -2.175) 4.236 11.679 ( 5.770 3.446 1.158) 6.819 11.738 ( 6.111 5.806 -1.323) 8.533 11.934 ( 6.644 -5.119 7.207) 11.058 12.271 ( 0.544 -13.409 -5.960) 14.684 15.488 ( 0.694 11.482 1.645) 11.620 15.608 ( -4.543 17.327 -2.867) 18.141 16.043 ( -1.385 -8.184 2.871) 8.783 16.101 ( 0.744 -3.231 0.058) 3.316 16.189 ( 4.567 2.013 0.700) 5.039 16.310 ( 2.004 -2.087 -0.859) 3.018 16.403 ( 0.293 2.724 0.381) 2.766 16.802 ( 0.657 -9.769 -14.641) 17.613 18.054 ( 1.172 0.619 2.724) 3.030 18.112 ( 1.607 -1.260 0.529) 2.110 18.313 ( -2.621 -0.656 0.443) 2.738 18.335 ( -1.262 -1.120 -0.241) 1.704 ======================= Grid point 57 (24/45) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 3.227 20.244 3.801) 20.849 1.063 ( 12.207 4.585 7.172) 14.882 1.187 ( 0.586 13.642 -0.160) 13.655 1.317 ( 3.550 -1.973 -0.883) 4.157 1.402 ( 1.318 2.797 3.975) 5.036 1.517 ( -0.632 4.001 -0.863) 4.142 1.563 ( -8.382 0.125 2.414) 8.724 1.598 ( 1.438 -2.068 1.664) 3.019 1.664 ( 2.350 -5.583 2.427) 6.526 1.699 ( -3.016 -2.269 -0.923) 3.885 1.724 ( -1.740 -2.789 -1.657) 3.682 1.780 ( 2.117 -4.472 -1.388) 5.139 1.879 ( -5.529 -4.777 2.105) 7.604 1.947 ( -5.287 -1.839 0.929) 5.675 2.003 ( 2.300 -3.067 -1.372) 4.072 2.047 ( -2.409 -5.072 -0.211) 5.619 2.131 ( 5.895 1.135 -2.289) 6.425 2.141 ( 2.959 3.256 -2.451) 5.036 2.203 ( 0.802 -0.379 -2.906) 3.039 2.273 ( 4.060 0.438 -2.628) 4.856 2.426 ( 4.294 5.686 -0.631) 7.153 2.453 ( -0.936 2.600 -0.472) 2.803 2.501 ( -4.377 -0.853 -0.298) 4.470 2.544 ( -5.193 0.980 -0.771) 5.341 2.595 ( 1.239 -0.977 1.826) 2.414 2.642 ( 0.917 -0.686 3.504) 3.686 2.689 ( -2.766 -1.648 -0.325) 3.236 2.722 ( -2.143 0.129 2.603) 3.374 2.772 ( 3.650 2.754 -0.621) 4.615 2.877 ( -0.206 5.965 0.842) 6.027 2.947 ( 4.930 4.224 -3.545) 7.396 3.058 ( -1.112 2.523 -0.475) 2.798 3.074 ( 0.898 0.595 -0.287) 1.115 3.110 ( 2.307 -3.375 -1.451) 4.338 3.167 ( -1.300 5.755 0.598) 5.930 3.234 ( 0.589 0.844 -1.813) 2.085 3.254 ( -1.154 0.929 -1.638) 2.209 3.319 ( 1.893 0.551 -6.203) 6.509 3.347 ( -2.420 2.755 -6.554) 7.510 3.418 ( -0.488 -1.122 -6.498) 6.613 3.593 ( 1.771 -1.898 6.866) 7.341 3.640 ( 4.810 -1.991 3.941) 6.529 3.692 ( 0.559 -2.189 3.581) 4.234 3.726 ( -0.213 -1.803 4.391) 4.752 3.811 ( 2.386 -1.021 3.224) 4.139 3.869 ( -2.109 -2.910 0.977) 3.725 3.920 ( -3.196 2.367 2.309) 4.599 3.971 ( 2.385 -0.878 -0.991) 2.727 3.996 ( -3.825 -2.421 -0.326) 4.538 4.065 ( -0.352 0.001 -1.821) 1.854 4.076 ( -1.246 -0.549 -0.522) 1.458 4.103 ( -1.890 -0.876 -3.983) 4.495 4.208 ( 5.486 -2.732 -1.472) 6.302 4.233 ( 3.719 -2.074 0.978) 4.369 4.333 ( 3.120 -0.607 -0.381) 3.201 4.356 ( 2.690 -0.636 0.061) 2.765 4.382 ( 2.466 -0.418 -1.211) 2.779 4.460 ( -0.200 -2.425 2.940) 3.816 4.499 ( -2.652 0.895 0.197) 2.806 4.604 ( -0.365 -2.791 0.358) 2.838 4.626 ( -6.439 0.181 0.961) 6.513 4.649 ( -0.809 -2.281 0.995) 2.617 4.702 ( -0.734 -5.585 1.224) 5.765 4.799 ( -3.802 -3.887 2.079) 5.821 4.894 ( 2.059 4.328 -0.236) 4.798 4.931 ( 2.825 2.866 -1.712) 4.373 5.067 ( 10.093 -0.607 1.115) 10.173 5.078 ( 4.317 -2.034 0.870) 4.851 5.148 ( 4.293 1.128 -0.816) 4.513 5.163 ( 5.079 -1.078 -1.141) 5.316 5.199 ( 2.189 3.806 0.132) 4.393 5.209 ( -1.025 0.841 0.493) 1.414 5.270 ( 0.980 -0.668 -0.039) 1.187 5.304 ( 1.526 2.276 -0.267) 2.753 5.517 ( -5.482 2.323 0.850) 6.015 5.549 ( -7.707 2.290 -0.102) 8.041 5.692 ( 3.839 2.720 0.425) 4.724 5.764 ( 2.127 -0.276 -2.303) 3.147 5.869 ( 1.359 0.099 2.759) 3.077 5.967 ( 0.493 -2.128 -0.889) 2.359 6.119 ( 4.547 0.236 1.941) 4.949 6.227 ( 2.562 -3.041 -1.852) 4.387 6.417 ( -10.671 -0.021 0.580) 10.687 6.432 ( -9.635 -0.612 -0.004) 9.654 7.033 ( -0.307 4.004 0.018) 4.016 7.033 ( -0.269 3.767 0.001) 3.776 7.228 ( -0.405 -3.285 0.104) 3.311 7.237 ( -0.848 -3.311 -0.214) 3.424 7.783 ( 1.721 1.385 1.451) 2.643 7.856 ( 0.595 -0.850 -1.110) 1.520 7.912 ( -1.651 -0.456 0.833) 1.905 7.984 ( -3.603 -3.028 -2.082) 5.147 9.057 ( 0.646 1.833 0.053) 1.944 9.063 ( 1.022 0.942 -0.157) 1.399 9.110 ( -1.046 -0.321 0.502) 1.204 9.145 ( -2.570 -0.455 -0.782) 2.724 10.291 ( 3.283 1.579 1.396) 3.901 10.338 ( 1.096 1.395 -0.188) 1.784 10.400 ( -0.440 -0.442 0.526) 0.816 10.417 ( -0.684 -0.300 0.251) 0.788 10.447 ( -0.357 1.453 -0.584) 1.606 10.466 ( -2.399 1.223 -0.366) 2.718 10.524 ( -1.505 2.485 0.498) 2.948 10.588 ( -3.538 0.460 -1.690) 3.948 11.776 ( 4.179 3.970 1.015) 5.853 11.821 ( 2.444 5.182 -0.725) 5.775 12.047 ( 5.490 -5.318 3.564) 8.434 12.233 ( -3.832 -9.149 -3.284) 10.449 15.506 ( 1.157 10.991 0.894) 11.088 15.554 ( -1.712 13.411 -0.849) 13.547 16.016 ( -0.887 -7.059 1.808) 7.340 16.077 ( -3.022 -7.137 -0.208) 7.753 16.274 ( 3.875 2.681 0.469) 4.735 16.320 ( 0.825 5.633 -1.800) 5.971 16.485 ( 6.405 -4.153 2.590) 8.061 16.744 ( -5.666 -8.832 -7.152) 12.699 18.101 ( 3.476 0.991 1.231) 3.818 18.162 ( 3.260 -0.945 -1.033) 3.548 18.253 ( -3.381 -0.113 0.768) 3.469 18.300 ( -2.587 -1.562 -0.939) 3.165 ======================= Grid point 58 (25/45) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -6.541 19.686 1.243) 20.782 1.077 ( 6.541 19.686 1.243) 20.782 1.326 ( -11.926 1.049 4.264) 12.709 1.326 ( 11.926 1.049 4.264) 12.709 1.404 ( -1.510 0.007 4.036) 4.309 1.404 ( 1.510 0.007 4.036) 4.309 1.569 ( -3.868 3.176 -1.760) 5.305 1.569 ( 3.868 3.176 -1.760) 5.305 1.677 ( -2.151 -5.028 -0.567) 5.498 1.677 ( 2.151 -5.028 -0.567) 5.498 1.756 ( -5.860 -5.996 3.463) 9.071 1.756 ( 5.860 -5.996 3.463) 9.071 1.836 ( -4.957 -1.116 -1.492) 5.296 1.836 ( 4.957 -1.116 -1.492) 5.296 2.029 ( -0.441 -4.854 -1.446) 5.084 2.029 ( 0.441 -4.854 -1.446) 5.084 2.192 ( -1.136 2.627 -1.756) 3.358 2.192 ( 1.136 2.627 -1.756) 3.358 2.295 ( -6.611 -2.248 -1.822) 7.216 2.295 ( 6.611 -2.248 -1.822) 7.216 2.404 ( -3.901 4.055 -2.212) 6.046 2.404 ( 3.901 4.055 -2.212) 6.046 2.497 ( -1.868 0.024 -1.876) 2.648 2.497 ( 1.868 0.024 -1.876) 2.648 2.621 ( -1.399 -1.308 2.836) 3.422 2.621 ( 1.399 -1.308 2.836) 3.422 2.693 ( -1.553 -2.509 2.200) 3.681 2.693 ( 1.553 -2.509 2.200) 3.681 2.852 ( -3.035 4.464 -0.764) 5.452 2.852 ( 3.035 4.464 -0.764) 5.452 3.022 ( -2.700 2.276 -0.859) 3.634 3.022 ( 2.700 2.276 -0.859) 3.634 3.121 ( -3.644 4.062 -0.381) 5.471 3.121 ( 3.644 4.062 -0.381) 5.471 3.177 ( -3.795 0.379 0.086) 3.815 3.177 ( 3.795 0.379 0.086) 3.815 3.297 ( -2.918 2.071 -5.383) 6.464 3.297 ( 2.918 2.071 -5.383) 6.464 3.374 ( -3.625 -0.006 -6.206) 7.187 3.374 ( 3.625 -0.006 -6.206) 7.187 3.640 ( -2.909 -1.596 5.499) 6.423 3.640 ( 2.909 -1.596 5.499) 6.423 3.713 ( -1.638 -0.797 6.248) 6.508 3.713 ( 1.638 -0.797 6.248) 6.508 3.846 ( -3.256 0.685 4.020) 5.218 3.846 ( 3.256 0.685 4.020) 5.218 3.904 ( -4.629 -2.600 -0.869) 5.380 3.904 ( 4.629 -2.600 -0.869) 5.380 4.021 ( -2.738 -0.612 -1.833) 3.351 4.021 ( 2.738 -0.612 -1.833) 3.351 4.085 ( -1.140 0.149 -1.884) 2.207 4.085 ( 1.140 0.149 -1.884) 2.207 4.279 ( -0.942 -3.144 -2.012) 3.850 4.279 ( 0.942 -3.144 -2.012) 3.850 4.368 ( -1.106 -2.135 -0.330) 2.427 4.368 ( 1.106 -2.135 -0.330) 2.427 4.435 ( -2.746 1.838 -1.285) 3.546 4.435 ( 2.746 1.838 -1.285) 3.546 4.498 ( -4.119 -2.319 1.774) 5.049 4.498 ( 4.119 -2.319 1.774) 5.049 4.614 ( -1.517 -3.029 -0.604) 3.441 4.614 ( 1.517 -3.029 -0.604) 3.441 4.739 ( -2.723 -6.166 2.876) 7.328 4.739 ( 2.723 -6.166 2.876) 7.328 4.936 ( -1.790 5.740 0.631) 6.046 4.936 ( 1.790 5.740 0.631) 6.046 5.138 ( -2.858 -2.868 0.040) 4.049 5.138 ( 2.858 -2.868 0.040) 4.049 5.179 ( -0.748 4.662 0.916) 4.809 5.179 ( 0.748 4.662 0.916) 4.809 5.255 ( -0.966 -1.308 -0.697) 1.769 5.255 ( 0.966 -1.308 -0.697) 1.769 5.355 ( -9.387 2.277 0.190) 9.661 5.355 ( 9.387 2.277 0.190) 9.661 5.402 ( -7.570 1.456 -0.508) 7.725 5.402 ( 7.570 1.456 -0.508) 7.725 5.767 ( -2.615 2.454 -0.101) 3.588 5.767 ( 2.615 2.454 -0.101) 3.588 5.935 ( -4.092 -2.711 0.401) 4.925 5.935 ( 4.092 -2.711 0.401) 4.925 6.231 ( -7.797 0.472 0.660) 7.839 6.231 ( 7.797 0.472 0.660) 7.839 6.290 ( -4.617 -1.719 -0.749) 4.983 6.290 ( 4.617 -1.719 -0.749) 4.983 7.030 ( -0.030 3.881 0.029) 3.882 7.030 ( 0.030 3.881 0.029) 3.882 7.226 ( -0.241 -3.226 -0.079) 3.236 7.226 ( 0.241 -3.226 -0.079) 3.236 7.829 ( -3.055 1.328 0.048) 3.332 7.829 ( 3.055 1.328 0.048) 3.332 7.918 ( -2.747 -1.823 -0.365) 3.317 7.918 ( 2.747 -1.823 -0.365) 3.317 9.071 ( -0.554 0.801 0.116) 0.981 9.071 ( 0.554 0.801 0.116) 0.981 9.108 ( -1.229 -0.216 -0.213) 1.266 9.108 ( 1.229 -0.216 -0.213) 1.266 10.356 ( -2.623 -0.098 1.094) 2.844 10.356 ( 2.623 -0.098 1.094) 2.844 10.369 ( -0.583 -0.400 0.686) 0.985 10.369 ( 0.583 -0.400 0.686) 0.985 10.463 ( -1.633 2.145 -1.126) 2.922 10.463 ( 1.633 2.145 -1.126) 2.922 10.529 ( -2.420 1.092 -0.810) 2.775 10.529 ( 2.420 1.092 -0.810) 2.775 11.829 ( -1.354 4.510 0.404) 4.726 11.829 ( 1.354 4.510 0.404) 4.726 12.146 ( -5.056 -6.520 -0.219) 8.253 12.146 ( 5.056 -6.520 -0.219) 8.253 15.529 ( -1.207 11.431 0.131) 11.495 15.529 ( 1.207 11.431 0.131) 11.495 16.024 ( -1.887 -6.662 0.440) 6.938 16.024 ( 1.887 -6.662 0.440) 6.938 16.323 ( -1.145 4.124 0.450) 4.304 16.323 ( 1.145 4.124 0.450) 4.304 16.617 ( -7.301 -6.703 -1.927) 10.097 16.617 ( 7.301 -6.703 -1.927) 10.097 18.171 ( -3.463 0.835 0.280) 3.574 18.171 ( 3.463 0.835 0.280) 3.574 18.242 ( -3.223 -1.619 -0.749) 3.684 18.242 ( 3.223 -1.619 -0.749) 3.684 ======================= Grid point 63 (26/45) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 0.000 -7.917 1.512) 8.060 0.664 ( 0.000 7.917 1.512) 8.060 0.908 ( 0.000 -6.665 9.367) 11.496 0.908 ( 0.000 6.665 9.367) 11.496 1.265 ( 0.000 -5.726 -2.013) 6.070 1.265 ( 0.000 5.726 -2.013) 6.070 1.468 ( 0.000 -5.837 -5.846) 8.261 1.468 ( 0.000 5.837 -5.846) 8.261 1.630 ( 0.000 -7.048 1.092) 7.132 1.630 ( 0.000 7.048 1.092) 7.132 1.777 ( 0.000 -4.738 3.251) 5.746 1.777 ( 0.000 4.738 3.251) 5.746 2.077 ( 0.000 -3.281 2.200) 3.950 2.077 ( 0.000 3.281 2.200) 3.950 2.133 ( 0.000 -3.310 -5.251) 6.207 2.133 ( 0.000 3.310 -5.251) 6.207 2.279 ( 0.000 -6.934 0.353) 6.943 2.279 ( 0.000 6.934 0.353) 6.943 2.457 ( 0.000 -10.016 1.004) 10.066 2.457 ( 0.000 10.016 1.004) 10.066 2.523 ( 0.000 -0.681 0.540) 0.869 2.523 ( 0.000 0.681 0.540) 0.869 2.637 ( 0.000 -1.721 -0.822) 1.907 2.637 ( 0.000 1.721 -0.822) 1.907 2.701 ( 0.000 -2.551 -1.700) 3.065 2.701 ( 0.000 2.551 -1.700) 3.065 2.767 ( 0.000 -1.217 2.285) 2.589 2.767 ( 0.000 1.217 2.285) 2.589 2.883 ( 0.000 -1.265 1.067) 1.655 2.883 ( 0.000 1.265 1.067) 1.655 2.951 ( 0.000 -5.916 -0.314) 5.924 2.951 ( 0.000 5.916 -0.314) 5.924 3.037 ( 0.000 -1.172 -4.446) 4.598 3.037 ( 0.000 1.172 -4.446) 4.598 3.252 ( 0.000 -1.752 -2.646) 3.173 3.252 ( 0.000 1.752 -2.646) 3.173 3.293 ( 0.000 -0.332 -0.396) 0.517 3.293 ( 0.000 0.332 -0.396) 0.517 3.410 ( 0.000 -2.395 0.117) 2.398 3.410 ( 0.000 2.395 0.117) 2.398 3.485 ( 0.000 -0.003 -3.344) 3.344 3.485 ( 0.000 0.003 -3.344) 3.344 3.555 ( 0.000 -2.960 -1.221) 3.201 3.555 ( 0.000 2.960 -1.221) 3.201 3.710 ( 0.000 -0.060 -1.738) 1.739 3.710 ( 0.000 0.060 -1.738) 1.739 3.817 ( 0.000 -0.734 -2.245) 2.362 3.817 ( 0.000 0.734 -2.245) 2.362 3.915 ( 0.000 -5.407 5.008) 7.370 3.915 ( 0.000 5.407 5.008) 7.370 4.079 ( 0.000 -1.469 2.663) 3.042 4.079 ( 0.000 1.469 2.663) 3.042 4.104 ( 0.000 -4.981 -0.073) 4.981 4.104 ( 0.000 4.981 -0.073) 4.981 4.197 ( 0.000 -1.811 1.894) 2.620 4.197 ( 0.000 1.811 1.894) 2.620 4.311 ( 0.000 -3.586 -2.660) 4.465 4.311 ( 0.000 3.586 -2.660) 4.465 4.396 ( 0.000 -6.327 5.539) 8.409 4.396 ( 0.000 6.327 5.539) 8.409 4.539 ( 0.000 -3.994 -0.796) 4.073 4.539 ( 0.000 3.994 -0.796) 4.073 4.628 ( 0.000 -3.091 -1.857) 3.607 4.628 ( 0.000 3.091 -1.857) 3.607 4.829 ( 0.000 -3.835 -0.669) 3.893 4.829 ( 0.000 3.835 -0.669) 3.893 5.183 ( 0.000 -4.958 3.817) 6.257 5.183 ( 0.000 4.958 3.817) 6.257 5.229 ( 0.000 -1.474 1.472) 2.083 5.229 ( 0.000 1.474 1.472) 2.083 5.253 ( 0.000 -2.099 0.592) 2.181 5.253 ( 0.000 2.099 0.592) 2.181 5.440 ( 0.000 -4.362 -5.236) 6.815 5.440 ( 0.000 4.362 -5.236) 6.815 5.624 ( 0.000 -3.464 0.844) 3.565 5.624 ( 0.000 3.464 0.844) 3.565 5.665 ( 0.000 -5.374 -4.798) 7.204 5.665 ( 0.000 5.374 -4.798) 7.204 5.874 ( 0.000 -0.359 0.087) 0.369 5.874 ( 0.000 0.359 0.087) 0.369 6.075 ( 0.000 -3.085 6.453) 7.152 6.075 ( 0.000 3.085 6.453) 7.152 6.790 ( 0.000 -0.324 1.346) 1.384 6.790 ( 0.000 0.324 1.346) 1.384 7.141 ( 0.000 -2.880 -0.127) 2.883 7.141 ( 0.000 2.880 -0.127) 2.883 7.168 ( 0.000 -3.277 0.221) 3.284 7.168 ( 0.000 3.277 0.221) 3.284 7.704 ( 0.000 -0.097 -1.190) 1.194 7.704 ( 0.000 0.097 -1.190) 1.194 7.772 ( 0.000 -0.911 1.260) 1.555 7.772 ( 0.000 0.911 1.260) 1.555 9.117 ( 0.000 -3.697 0.976) 3.824 9.117 ( 0.000 3.697 0.976) 3.824 9.210 ( 0.000 -8.768 -2.777) 9.197 9.210 ( 0.000 8.768 -2.777) 9.197 10.335 ( 0.000 -6.805 1.626) 6.997 10.335 ( 0.000 6.805 1.626) 6.997 10.404 ( 0.000 -0.691 -1.291) 1.464 10.404 ( 0.000 0.691 -1.291) 1.464 10.676 ( 0.000 -3.366 -0.163) 3.370 10.676 ( 0.000 3.366 -0.163) 3.370 10.947 ( 0.000 -1.637 -1.497) 2.218 10.947 ( 0.000 1.637 -1.497) 2.218 11.603 ( 0.000 -4.914 3.158) 5.841 11.603 ( 0.000 4.914 3.158) 5.841 11.720 ( 0.000 -10.801 -0.724) 10.826 11.720 ( 0.000 10.801 -0.724) 10.826 15.792 ( 0.000 -13.791 4.430) 14.485 15.792 ( 0.000 13.791 4.430) 14.485 16.104 ( 0.000 -1.478 -0.657) 1.617 16.104 ( 0.000 1.478 -0.657) 1.617 16.170 ( 0.000 -4.103 0.606) 4.148 16.170 ( 0.000 4.103 0.606) 4.148 16.499 ( 0.000 -5.883 -18.955) 19.847 16.499 ( 0.000 5.883 -18.955) 19.847 18.062 ( 0.000 -0.883 4.434) 4.521 18.062 ( 0.000 0.883 4.434) 4.521 18.347 ( 0.000 -1.512 0.275) 1.536 18.347 ( 0.000 1.512 0.275) 1.536 ======================= Grid point 65 (27/45) ======================= q-point: ( 0.12 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 9.383 -4.166 6.674) 12.245 0.811 ( 9.383 4.166 6.674) 12.245 0.975 ( 10.217 -7.074 5.320) 13.517 0.975 ( 10.217 7.074 5.320) 13.517 1.350 ( 7.930 -2.849 -2.857) 8.898 1.350 ( 7.930 2.849 -2.857) 8.898 1.488 ( 1.823 -9.386 -5.321) 10.943 1.488 ( 1.823 9.386 -5.321) 10.943 1.652 ( 1.607 -4.882 0.584) 5.173 1.652 ( 1.607 4.882 0.584) 5.173 1.768 ( -1.124 -3.606 1.862) 4.211 1.768 ( -1.124 3.606 1.862) 4.211 2.024 ( -4.971 -3.295 -0.410) 5.978 2.024 ( -4.971 3.295 -0.410) 5.978 2.103 ( -2.758 -1.764 -0.568) 3.323 2.103 ( -2.758 1.764 -0.568) 3.323 2.252 ( -3.595 -5.654 2.008) 6.994 2.252 ( -3.595 5.654 2.008) 6.994 2.413 ( -5.814 -8.153 1.058) 10.070 2.413 ( -5.814 8.153 1.058) 10.070 2.508 ( -1.834 -4.402 -0.250) 4.776 2.508 ( -1.834 4.402 -0.250) 4.776 2.603 ( -2.823 -2.731 -2.490) 4.650 2.603 ( -2.823 2.731 -2.490) 4.650 2.645 ( -2.217 -5.578 -0.309) 6.011 2.645 ( -2.217 5.578 -0.309) 6.011 2.730 ( -1.315 -2.170 -2.335) 3.448 2.730 ( -1.315 2.170 -2.335) 3.448 2.835 ( -0.791 -4.394 1.031) 4.582 2.835 ( -0.791 4.394 1.031) 4.582 2.969 ( 0.856 -2.315 -0.219) 2.478 2.969 ( 0.856 2.315 -0.219) 2.478 3.131 ( 1.517 -3.092 0.956) 3.574 3.131 ( 1.517 3.092 0.956) 3.574 3.219 ( -2.465 -5.838 3.610) 7.294 3.219 ( -2.465 5.838 3.610) 7.294 3.314 ( 2.611 -2.531 -5.524) 6.613 3.314 ( 2.611 2.531 -5.524) 6.613 3.416 ( 0.663 -2.818 -2.145) 3.603 3.416 ( 0.663 2.818 -2.145) 3.603 3.488 ( -0.829 -1.846 -3.594) 4.125 3.488 ( -0.829 1.846 -3.594) 4.125 3.529 ( 2.512 -2.480 -2.995) 4.629 3.529 ( 2.512 2.480 -2.995) 4.629 3.751 ( 1.877 -1.682 2.268) 3.391 3.751 ( 1.877 1.682 2.268) 3.391 3.864 ( 4.021 -1.182 -2.193) 4.730 3.864 ( 4.021 1.182 -2.193) 4.730 3.963 ( 4.487 -4.010 3.165) 6.799 3.963 ( 4.487 4.010 3.165) 6.799 4.083 ( 0.287 -0.586 1.913) 2.022 4.083 ( 0.287 0.586 1.913) 2.022 4.130 ( 1.658 -4.391 -1.219) 4.849 4.130 ( 1.658 4.391 -1.219) 4.849 4.220 ( 2.540 -0.491 1.229) 2.864 4.220 ( 2.540 0.491 1.229) 2.864 4.376 ( 0.971 -2.546 4.698) 5.431 4.376 ( 0.971 2.546 4.698) 5.431 4.439 ( 9.004 -0.464 -0.695) 9.042 4.439 ( 9.004 0.464 -0.695) 9.042 4.529 ( 0.787 -3.614 2.313) 4.363 4.529 ( 0.787 3.614 2.313) 4.363 4.690 ( 4.334 -5.134 -4.452) 8.060 4.690 ( 4.334 5.134 -4.452) 8.060 4.834 ( 1.255 -3.156 -0.078) 3.397 4.834 ( 1.255 3.156 -0.078) 3.397 5.111 ( -8.955 -5.578 2.521) 10.847 5.111 ( -8.955 5.578 2.521) 10.847 5.189 ( -2.318 -2.210 0.598) 3.258 5.189 ( -2.318 2.210 0.598) 3.258 5.237 ( -1.163 -3.350 1.166) 3.733 5.237 ( -1.163 3.350 1.166) 3.733 5.358 ( -6.526 -3.817 -3.964) 8.536 5.358 ( -6.526 3.817 -3.964) 8.536 5.629 ( 1.534 -3.992 -0.957) 4.382 5.629 ( 1.534 3.992 -0.957) 4.382 5.693 ( 1.791 -2.193 -0.257) 2.843 5.693 ( 1.791 2.193 -0.257) 2.843 5.929 ( 2.314 -0.690 1.389) 2.786 5.929 ( 2.314 0.690 1.389) 2.786 6.038 ( -1.442 -4.073 2.452) 4.969 6.038 ( -1.442 4.073 2.452) 4.969 6.738 ( -5.214 -0.197 0.961) 5.305 6.738 ( -5.214 0.197 0.961) 5.305 7.140 ( -0.113 -2.899 -0.133) 2.904 7.140 ( -0.113 2.899 -0.133) 2.904 7.165 ( -0.358 -3.358 0.168) 3.381 7.165 ( -0.358 3.358 0.168) 3.381 7.764 ( 2.841 -3.552 0.785) 4.616 7.764 ( 2.841 3.552 0.785) 4.616 7.814 ( 5.820 -0.982 -0.841) 5.962 7.814 ( 5.820 0.982 -0.841) 5.962 9.110 ( -0.651 -3.363 0.850) 3.529 9.110 ( -0.651 3.363 0.850) 3.529 9.188 ( -2.142 -7.472 -2.273) 8.098 9.188 ( -2.142 7.472 -2.273) 8.098 10.335 ( 0.044 -6.501 1.529) 6.679 10.335 ( 0.044 6.501 1.529) 6.679 10.397 ( -0.432 -1.161 -1.354) 1.835 10.397 ( -0.432 1.161 -1.354) 1.835 10.653 ( -2.624 -2.555 0.256) 3.671 10.653 ( -2.624 2.555 0.256) 3.671 10.793 ( -11.965 -1.989 -0.886) 12.161 10.793 ( -11.965 1.989 -0.886) 12.161 11.666 ( 5.575 -5.559 3.866) 8.771 11.666 ( 5.575 5.559 3.866) 8.771 11.832 ( 8.860 -13.576 -2.350) 16.381 11.832 ( 8.860 13.576 -2.350) 16.381 15.789 ( -0.298 -13.842 3.956) 14.400 15.789 ( -0.298 13.842 3.956) 14.400 16.062 ( -5.573 -3.797 -2.246) 7.108 16.062 ( -5.573 3.797 -2.246) 7.108 16.168 ( 2.530 -3.486 1.214) 4.475 16.168 ( 2.530 3.486 1.214) 4.475 16.536 ( 2.438 -6.875 -14.300) 16.053 16.536 ( 2.438 6.875 -14.300) 16.053 18.060 ( 0.139 -1.154 3.527) 3.714 18.060 ( 0.139 1.154 3.527) 3.714 18.339 ( -0.861 -0.980 0.072) 1.306 18.339 ( -0.861 0.980 0.072) 1.306 ======================= Grid point 67 (28/45) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 8.861 -7.891 7.867) 14.236 0.961 ( 8.861 7.891 7.867) 14.236 1.226 ( 11.519 -6.680 4.782) 14.149 1.226 ( 11.519 6.680 4.782) 14.149 1.497 ( 3.749 -4.001 -4.832) 7.308 1.497 ( 3.749 4.001 -4.832) 7.308 1.546 ( 6.859 -6.912 -2.782) 10.127 1.546 ( 6.859 6.912 -2.782) 10.127 1.671 ( 0.073 -4.259 -1.143) 4.410 1.671 ( 0.073 4.259 -1.143) 4.410 1.730 ( -2.727 -2.757 0.660) 3.933 1.730 ( -2.727 2.757 0.660) 3.933 1.922 ( -5.958 -1.507 0.789) 6.196 1.922 ( -5.958 1.507 0.789) 6.196 2.016 ( -5.650 -2.593 2.494) 6.698 2.016 ( -5.650 2.593 2.494) 6.698 2.176 ( -3.031 -2.622 -0.222) 4.013 2.176 ( -3.031 2.622 -0.222) 4.013 2.276 ( -5.609 -1.631 -2.350) 6.296 2.276 ( -5.609 1.631 -2.350) 6.296 2.482 ( -1.027 -4.182 0.056) 4.307 2.482 ( -1.027 4.182 0.056) 4.307 2.572 ( -1.670 -3.668 -0.365) 4.047 2.572 ( -1.670 3.668 -0.365) 4.047 2.636 ( -0.233 -3.292 -0.501) 3.338 2.636 ( -0.233 3.292 -0.501) 3.338 2.725 ( 0.590 -3.510 1.697) 3.943 2.725 ( 0.590 3.510 1.697) 3.943 2.848 ( 1.518 -4.505 -2.572) 5.405 2.848 ( 1.518 4.505 -2.572) 5.405 2.989 ( 2.272 -2.094 -0.905) 3.220 2.989 ( 2.272 2.094 -0.905) 3.220 3.077 ( -3.697 -5.779 2.673) 7.362 3.077 ( -3.697 5.779 2.673) 7.362 3.216 ( 1.757 -3.879 -0.513) 4.289 3.216 ( 1.757 3.879 -0.513) 4.289 3.335 ( -1.691 -3.688 -2.646) 4.843 3.335 ( -1.691 3.688 -2.646) 4.843 3.423 ( 0.053 -1.865 -4.837) 5.185 3.423 ( 0.053 1.865 -4.837) 5.185 3.509 ( 3.424 -2.876 0.267) 4.479 3.509 ( 3.424 2.876 0.267) 4.479 3.618 ( 4.836 -3.484 -0.494) 5.980 3.618 ( 4.836 3.484 -0.494) 5.980 3.777 ( 1.448 -3.192 3.165) 4.723 3.777 ( 1.448 3.192 3.165) 4.723 3.940 ( 3.457 -1.763 -3.406) 5.163 3.940 ( 3.457 1.763 -3.406) 5.163 4.014 ( -0.760 -1.899 1.286) 2.416 4.014 ( -0.760 1.899 1.286) 2.416 4.097 ( 0.496 -2.302 -2.037) 3.113 4.097 ( 0.496 2.302 -2.037) 3.113 4.148 ( 1.628 -1.806 0.632) 2.512 4.148 ( 1.628 1.806 0.632) 2.512 4.292 ( 4.656 -1.456 -0.224) 4.884 4.292 ( 4.656 1.456 -0.224) 4.884 4.372 ( -0.485 -4.857 7.699) 9.116 4.372 ( -0.485 4.857 7.699) 9.116 4.528 ( 1.517 -2.090 2.876) 3.865 4.528 ( 1.517 2.090 2.876) 3.865 4.681 ( 8.336 -2.541 -0.471) 8.727 4.681 ( 8.336 2.541 -0.471) 8.727 4.726 ( 0.382 -4.686 -1.943) 5.088 4.726 ( 0.382 4.686 -1.943) 5.088 4.879 ( -0.553 -3.057 -3.030) 4.339 4.879 ( -0.553 3.057 -3.030) 4.339 4.968 ( -0.552 -2.718 0.168) 2.778 4.968 ( -0.552 2.718 0.168) 2.778 5.095 ( -3.193 -4.256 0.113) 5.321 5.095 ( -3.193 4.256 0.113) 5.321 5.242 ( -0.084 -1.462 1.082) 1.821 5.242 ( -0.084 1.462 1.082) 1.821 5.293 ( -0.378 -2.047 0.370) 2.115 5.293 ( -0.378 2.047 0.370) 2.115 5.657 ( 0.321 -3.726 -0.523) 3.776 5.657 ( 0.321 3.726 -0.523) 3.776 5.697 ( -1.137 -2.637 -0.740) 2.965 5.697 ( -1.137 2.637 -0.740) 2.965 5.910 ( -1.227 -2.128 3.583) 4.345 5.910 ( -1.227 2.128 3.583) 4.345 6.083 ( 3.995 -3.910 -1.567) 5.805 6.083 ( 3.995 3.910 -1.567) 5.805 6.604 ( -8.815 -0.168 0.556) 8.835 6.604 ( -8.815 0.168 0.556) 8.835 7.136 ( -0.297 -2.714 -0.150) 2.734 7.136 ( -0.297 2.714 -0.150) 2.734 7.155 ( -0.708 -3.137 0.107) 3.218 7.155 ( -0.708 3.137 0.107) 3.218 7.797 ( 1.274 -2.390 1.024) 2.895 7.797 ( 1.274 2.390 1.024) 2.895 7.919 ( 3.317 -2.011 -1.302) 4.092 7.919 ( 3.317 2.011 -1.302) 4.092 9.097 ( -0.600 -2.476 0.541) 2.605 9.097 ( -0.600 2.476 0.541) 2.605 9.143 ( -2.364 -4.751 -1.204) 5.441 9.143 ( -2.364 4.751 -1.204) 5.441 10.336 ( 0.086 -4.952 1.189) 5.094 10.336 ( 0.086 4.952 1.189) 5.094 10.400 ( 0.776 -1.568 -1.533) 2.326 10.400 ( 0.776 1.568 -1.533) 2.326 10.550 ( -7.343 -2.514 1.725) 7.951 10.550 ( -7.343 2.514 1.725) 7.951 10.639 ( -4.123 -1.932 -1.398) 4.763 10.639 ( -4.123 1.932 -1.398) 4.763 11.785 ( 6.497 -5.557 2.956) 9.046 11.785 ( 6.497 5.557 2.956) 9.046 11.966 ( 4.655 -12.432 -2.249) 13.464 11.966 ( 4.655 12.432 -2.249) 13.464 15.784 ( -0.166 -13.436 2.884) 13.743 15.784 ( -0.166 13.436 2.884) 13.743 15.950 ( -5.454 -10.766 -1.638) 12.180 15.950 ( -5.454 10.766 -1.638) 12.180 16.248 ( 5.335 -3.123 0.854) 6.241 16.248 ( 5.335 3.123 0.854) 6.241 16.556 ( -0.528 -10.737 -7.808) 13.286 16.556 ( -0.528 10.737 -7.808) 13.286 18.079 ( 1.965 -1.554 1.673) 3.013 18.079 ( 1.965 1.554 1.673) 3.013 18.313 ( -1.957 -0.698 -0.229) 2.091 18.313 ( -1.957 0.698 -0.229) 2.091 ======================= Grid point 69 (29/45) ======================= q-point: ( 0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 11.355 -5.776 5.523) 13.885 1.157 ( 11.355 5.776 5.523) 13.885 1.368 ( 5.083 -9.965 4.758) 12.156 1.368 ( 5.083 9.965 4.758) 12.156 1.510 ( -1.814 -4.457 -1.397) 5.011 1.510 ( -1.814 4.457 -1.397) 5.011 1.596 ( -5.402 -5.432 -2.139) 7.954 1.596 ( -5.402 5.432 -2.139) 7.954 1.648 ( -1.678 -0.898 1.158) 2.228 1.648 ( -1.678 0.898 1.158) 2.228 1.698 ( -1.461 -2.870 0.328) 3.237 1.698 ( -1.461 2.870 0.328) 3.237 1.831 ( -0.588 -6.079 1.086) 6.203 1.831 ( -0.588 6.079 1.086) 6.203 1.944 ( -2.570 -3.164 0.099) 4.077 1.944 ( -2.570 3.164 0.099) 4.077 2.171 ( 3.502 -1.587 -4.178) 5.678 2.171 ( 3.502 1.587 -4.178) 5.678 2.249 ( 1.614 -2.845 -3.319) 4.660 2.249 ( 1.614 2.845 -3.319) 4.660 2.462 ( -1.088 -1.139 0.431) 1.633 2.462 ( -1.088 1.139 0.431) 1.633 2.523 ( -3.530 -2.140 -0.102) 4.130 2.523 ( -3.530 2.140 -0.102) 4.130 2.619 ( -0.586 -2.775 0.593) 2.897 2.619 ( -0.586 2.775 0.593) 2.897 2.699 ( -3.341 -1.716 1.869) 4.196 2.699 ( -3.341 1.716 1.869) 4.196 2.913 ( 4.307 -6.972 -0.720) 8.226 2.913 ( 4.307 6.972 -0.720) 8.226 3.020 ( -1.980 -5.712 1.912) 6.340 3.020 ( -1.980 5.712 1.912) 6.340 3.073 ( 5.588 -0.897 -0.236) 5.664 3.073 ( 5.588 0.897 -0.236) 5.664 3.267 ( 0.216 -1.877 -1.530) 2.431 3.267 ( 0.216 1.877 -1.530) 2.431 3.281 ( -0.333 -2.580 -4.695) 5.367 3.281 ( -0.333 2.580 -4.695) 5.367 3.409 ( -1.714 -1.109 -5.987) 6.326 3.409 ( -1.714 1.109 -5.987) 6.326 3.591 ( 4.650 -2.633 5.184) 7.445 3.591 ( 4.650 2.633 5.184) 7.445 3.678 ( 1.457 -2.312 3.240) 4.239 3.678 ( 1.457 2.312 3.240) 4.239 3.810 ( 1.857 -2.107 1.703) 3.285 3.810 ( 1.857 2.107 1.703) 3.285 3.932 ( -4.127 -1.323 -0.997) 4.447 3.932 ( -4.127 1.323 -0.997) 4.447 4.018 ( 1.667 -3.675 -3.367) 5.256 4.018 ( 1.667 3.675 -3.367) 5.256 4.061 ( -2.469 -0.804 -4.580) 5.265 4.061 ( -2.469 0.804 -4.580) 5.265 4.216 ( 4.185 -0.515 3.470) 5.461 4.216 ( 4.185 0.515 3.470) 5.461 4.336 ( -0.054 -1.363 2.684) 3.011 4.336 ( -0.054 1.363 2.684) 3.011 4.404 ( 3.522 -1.695 1.628) 4.234 4.404 ( 3.522 1.695 1.628) 4.234 4.546 ( -0.787 -2.647 3.664) 4.589 4.546 ( -0.787 2.647 3.664) 4.589 4.625 ( -6.007 -0.937 -2.006) 6.402 4.625 ( -6.007 0.937 -2.006) 6.402 4.689 ( -3.987 -4.142 -0.531) 5.774 4.689 ( -3.987 4.142 -0.531) 5.774 4.964 ( 6.192 -1.729 -0.644) 6.461 4.964 ( 6.192 1.729 -0.644) 6.461 5.040 ( 4.130 -1.320 0.958) 4.441 5.040 ( 4.130 1.320 0.958) 4.441 5.143 ( 6.453 -1.030 -1.152) 6.636 5.143 ( 6.453 1.030 -1.152) 6.636 5.231 ( 0.288 -0.716 -0.197) 0.796 5.231 ( 0.288 0.716 -0.197) 0.796 5.314 ( 1.955 -1.829 1.629) 3.134 5.314 ( 1.955 1.829 1.629) 3.134 5.564 ( -7.792 -1.291 -0.012) 7.898 5.564 ( -7.792 1.291 -0.012) 7.898 5.750 ( 5.146 -1.798 -1.312) 5.607 5.750 ( 5.146 1.798 -1.312) 5.607 5.900 ( -0.884 -3.087 1.703) 3.635 5.900 ( -0.884 3.087 1.703) 3.635 6.155 ( 3.889 -2.961 -0.697) 4.937 6.155 ( 3.889 2.961 -0.697) 4.937 6.420 ( -10.162 -0.383 0.285) 10.173 6.420 ( -10.162 0.383 0.285) 10.173 7.131 ( -0.146 -2.610 -0.106) 2.617 7.131 ( -0.146 2.610 -0.106) 2.617 7.141 ( -0.657 -2.870 0.039) 2.944 7.141 ( -0.657 2.870 0.039) 2.944 7.823 ( 1.825 -2.013 0.467) 2.757 7.823 ( 1.825 2.013 0.467) 2.757 7.926 ( -2.043 -1.866 -0.811) 2.883 7.926 ( -2.043 1.866 -0.811) 2.883 9.090 ( -0.096 -1.336 0.232) 1.359 9.090 ( -0.096 1.336 0.232) 1.359 9.108 ( -1.252 -2.505 -0.418) 2.831 9.108 ( -1.252 2.505 -0.418) 2.831 10.342 ( 0.573 -2.486 0.907) 2.707 10.342 ( 0.573 2.486 0.907) 2.707 10.400 ( -1.910 -2.138 -0.591) 2.927 10.400 ( -1.910 2.138 -0.591) 2.927 10.474 ( 0.437 -1.133 0.645) 1.375 10.474 ( 0.437 1.133 0.645) 1.375 10.574 ( -3.181 -1.809 -1.054) 3.808 10.574 ( -3.181 1.809 -1.054) 3.808 11.896 ( 5.144 -6.107 1.520) 8.128 11.896 ( 5.144 6.107 1.520) 8.128 12.006 ( -0.092 -9.677 -1.156) 9.746 12.006 ( -0.092 9.677 -1.156) 9.746 15.787 ( 0.633 -12.482 1.657) 12.608 15.787 ( 0.633 12.482 1.657) 12.608 15.865 ( -3.671 -12.179 -0.599) 12.734 15.865 ( -3.671 12.179 -0.599) 12.734 16.353 ( 5.609 -4.109 0.197) 6.956 16.353 ( 5.609 4.109 0.197) 6.956 16.521 ( -2.926 -9.581 -3.315) 10.552 16.521 ( -2.926 9.581 -3.315) 10.552 18.132 ( 3.476 -1.604 0.350) 3.844 18.132 ( 3.476 1.604 0.350) 3.844 18.266 ( -3.032 -1.298 -0.342) 3.316 18.266 ( -3.032 1.298 -0.342) 3.316 ======================= Grid point 71 (30/45) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -9.458 -1.875 3.437) 10.237 1.363 ( -9.192 1.507 3.437) 9.928 1.363 ( 9.192 -1.507 3.437) 9.928 1.363 ( 9.458 1.875 3.437) 10.237 1.490 ( -5.611 -12.794 1.965) 14.108 1.490 ( 5.597 -12.793 1.965) 14.101 1.490 ( -5.597 12.793 1.965) 14.101 1.490 ( 5.611 12.794 1.965) 14.108 1.641 ( -2.185 -2.664 0.346) 3.463 1.641 ( 0.214 -2.433 0.346) 2.466 1.641 ( -0.214 2.433 0.346) 2.466 1.641 ( 2.185 2.664 0.346) 3.463 1.884 ( -3.645 -6.710 -1.312) 7.748 1.884 ( 3.261 -6.660 -1.312) 7.531 1.884 ( -3.261 6.660 -1.312) 7.531 1.884 ( 3.645 6.710 -1.312) 7.748 2.258 ( -2.750 -2.263 -4.129) 5.452 2.258 ( 2.304 -2.134 -4.129) 5.187 2.258 ( -2.304 2.134 -4.129) 5.187 2.258 ( 2.750 2.263 -4.129) 5.452 2.460 ( -1.870 -2.142 -0.267) 2.856 2.460 ( 1.735 -2.113 -0.267) 2.747 2.460 ( -1.735 2.113 -0.267) 2.747 2.460 ( 1.870 2.142 -0.267) 2.856 2.637 ( -2.511 -2.385 1.830) 3.916 2.637 ( 2.507 -2.384 1.830) 3.914 2.637 ( -2.507 2.384 1.830) 3.914 2.637 ( 2.511 2.385 1.830) 3.916 2.977 ( -2.691 -5.155 1.182) 5.934 2.977 ( 2.691 -5.155 1.182) 5.934 2.977 ( -2.691 5.155 1.182) 5.934 2.977 ( 2.691 5.155 1.182) 5.934 3.185 ( -5.481 -0.546 -0.591) 5.540 3.185 ( -5.479 0.541 -0.591) 5.537 3.185 ( 5.479 -0.541 -0.591) 5.537 3.185 ( 5.481 0.546 -0.591) 5.540 3.353 ( -3.986 -2.187 -6.099) 7.607 3.353 ( 0.786 -0.983 -6.099) 6.227 3.353 ( -0.786 0.983 -6.099) 6.227 3.353 ( 3.986 2.187 -6.099) 7.607 3.666 ( -2.738 -3.463 5.549) 7.091 3.666 ( 2.621 -3.440 5.549) 7.036 3.666 ( -2.621 3.440 5.549) 7.036 3.666 ( 2.738 3.463 5.549) 7.091 3.855 ( -3.015 -1.683 0.326) 3.468 3.855 ( -1.161 -0.948 0.326) 1.534 3.855 ( 1.161 0.948 0.326) 1.534 3.855 ( 3.015 1.683 0.326) 3.468 4.034 ( -0.513 -2.212 -3.641) 4.291 4.034 ( 0.440 -2.208 -3.641) 4.281 4.034 ( -0.440 2.208 -3.641) 4.281 4.034 ( 0.513 2.212 -3.641) 4.291 4.301 ( -3.005 -3.319 1.754) 4.809 4.301 ( -0.737 -2.982 1.754) 3.538 4.301 ( 0.737 2.982 1.754) 3.538 4.301 ( 3.005 3.319 1.754) 4.809 4.465 ( -3.749 -0.320 0.648) 3.818 4.465 ( -3.700 0.111 0.648) 3.758 4.465 ( 3.700 -0.111 0.648) 3.758 4.465 ( 3.749 0.320 0.648) 3.818 4.624 ( -2.765 -3.754 0.513) 4.691 4.624 ( 2.609 -3.726 0.513) 4.578 4.624 ( -2.609 3.726 0.513) 4.578 4.624 ( 2.765 3.754 0.513) 4.691 5.046 ( -2.373 -4.651 0.376) 5.234 5.046 ( 1.596 -4.567 0.376) 4.852 5.046 ( -1.596 4.567 0.376) 4.852 5.046 ( 2.373 4.651 0.376) 5.234 5.236 ( -1.722 -1.016 0.472) 2.055 5.236 ( -0.615 -0.621 0.472) 0.993 5.236 ( 0.615 0.621 0.472) 0.993 5.236 ( 1.722 1.016 0.472) 2.055 5.405 ( -8.144 -1.563 -0.440) 8.304 5.405 ( -8.091 1.492 -0.440) 8.239 5.405 ( 8.091 -1.492 -0.440) 8.239 5.405 ( 8.144 1.563 -0.440) 8.304 5.851 ( -3.516 -4.348 0.058) 5.592 5.851 ( 0.196 -3.978 0.058) 3.984 5.851 ( -0.196 3.978 0.058) 3.984 5.851 ( 3.516 4.348 0.058) 5.592 6.252 ( -6.993 -1.441 -0.042) 7.140 6.252 ( -6.795 1.182 -0.042) 6.897 6.252 ( 6.795 -1.182 -0.042) 6.897 6.252 ( 6.993 1.441 -0.042) 7.140 7.132 ( -0.148 -4.953 -0.034) 4.955 7.132 ( 0.138 -4.953 -0.034) 4.955 7.132 ( -0.138 4.953 -0.034) 4.955 7.132 ( 0.148 4.953 -0.034) 4.955 7.871 ( -2.917 -2.193 -0.172) 3.654 7.871 ( 0.677 -1.673 -0.172) 1.813 7.871 ( -0.677 1.673 -0.172) 1.813 7.871 ( 2.917 2.193 -0.172) 3.654 9.093 ( -0.425 -1.046 -0.034) 1.130 9.093 ( 0.424 -1.046 -0.034) 1.129 9.093 ( -0.424 1.046 -0.034) 1.129 9.093 ( 0.425 1.046 -0.034) 1.130 10.361 ( -1.534 -0.431 0.653) 1.722 10.361 ( -1.305 0.150 0.653) 1.467 10.361 ( 1.305 -0.150 0.653) 1.467 10.361 ( 1.534 0.431 0.653) 1.722 10.516 ( -2.694 -1.974 -0.721) 3.416 10.516 ( 0.102 -1.443 -0.721) 1.617 10.516 ( -0.102 1.443 -0.721) 1.617 10.516 ( 2.694 1.974 -0.721) 3.417 11.974 ( -2.868 -8.141 0.129) 8.633 11.974 ( 2.661 -8.124 0.129) 8.549 11.974 ( -2.661 8.124 0.129) 8.549 11.974 ( 2.868 8.141 0.129) 8.633 15.811 ( -1.959 -12.474 0.482) 12.636 15.811 ( 1.934 -12.473 0.482) 12.631 15.811 ( -1.934 12.473 0.482) 12.631 15.811 ( 1.959 12.474 0.482) 12.636 16.450 ( -4.232 -7.327 -0.964) 8.517 16.450 ( 3.527 -7.234 -0.964) 8.105 16.450 ( -3.527 7.234 -0.964) 8.105 16.450 ( 4.232 7.327 -0.964) 8.517 18.201 ( -3.580 -1.766 -0.204) 3.997 18.201 ( -1.074 -0.451 -0.204) 1.183 18.201 ( 1.074 0.451 -0.204) 1.183 18.201 ( 3.580 1.766 -0.204) 3.997 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 0.000 0.000 -10.155) 10.155 0.583 ( 0.000 0.000 10.155) 10.155 0.619 ( 0.000 0.000 -15.289) 15.289 0.619 ( 0.000 0.000 15.289) 15.289 1.162 ( 0.000 0.000 -19.258) 19.258 1.162 ( 0.000 0.000 19.258) 19.258 1.614 ( 0.000 0.000 -5.339) 5.339 1.614 ( 0.000 0.000 5.339) 5.339 1.780 ( 0.000 0.000 -5.262) 5.262 1.780 ( 0.000 0.000 5.262) 5.262 1.866 ( 0.000 0.000 -1.170) 1.170 1.866 ( 0.000 0.000 1.170) 1.170 1.873 ( 0.000 0.000 -2.853) 2.853 1.873 ( 0.000 0.000 2.853) 2.853 1.935 ( 0.000 0.000 -1.855) 1.855 1.935 ( 0.000 0.000 1.855) 1.855 2.210 ( 0.000 0.000 -1.047) 1.047 2.210 ( 0.000 0.000 1.047) 1.047 2.259 ( 0.000 0.000 -3.026) 3.026 2.259 ( 0.000 0.000 3.026) 3.026 2.519 ( 0.000 0.000 -7.490) 7.490 2.519 ( 0.000 0.000 7.490) 7.490 2.598 ( 0.000 0.000 -1.947) 1.947 2.598 ( 0.000 0.000 1.947) 1.947 2.710 ( 0.000 0.000 -5.641) 5.641 2.710 ( 0.000 0.000 5.641) 5.641 2.742 ( 0.000 0.000 -1.094) 1.094 2.742 ( 0.000 0.000 1.094) 1.094 2.951 ( 0.000 0.000 -3.088) 3.088 2.951 ( 0.000 0.000 3.088) 3.088 3.042 ( 0.000 0.000 -3.351) 3.351 3.042 ( 0.000 0.000 3.351) 3.351 3.107 ( 0.000 0.000 -2.318) 2.318 3.107 ( 0.000 0.000 2.318) 2.318 3.198 ( 0.000 0.000 -2.756) 2.756 3.198 ( 0.000 0.000 2.756) 2.756 3.250 ( 0.000 0.000 -0.797) 0.797 3.250 ( 0.000 0.000 0.797) 0.797 3.310 ( 0.000 0.000 -2.388) 2.388 3.310 ( 0.000 0.000 2.388) 2.388 3.536 ( 0.000 0.000 -0.192) 0.192 3.536 ( 0.000 0.000 0.192) 0.192 3.541 ( 0.000 0.000 -6.094) 6.094 3.541 ( 0.000 0.000 6.094) 6.094 3.758 ( 0.000 0.000 -2.120) 2.120 3.758 ( 0.000 0.000 2.120) 2.120 3.839 ( 0.000 0.000 -4.066) 4.066 3.839 ( 0.000 0.000 4.066) 4.066 4.009 ( 0.000 0.000 -1.222) 1.222 4.009 ( 0.000 0.000 1.222) 1.222 4.027 ( 0.000 0.000 -3.696) 3.696 4.027 ( 0.000 0.000 3.696) 3.696 4.126 ( 0.000 0.000 -3.427) 3.427 4.126 ( 0.000 0.000 3.427) 3.427 4.230 ( 0.000 0.000 -2.255) 2.255 4.230 ( 0.000 0.000 2.255) 2.255 4.426 ( 0.000 0.000 -1.542) 1.542 4.426 ( 0.000 0.000 1.542) 1.542 4.496 ( 0.000 0.000 -0.612) 0.612 4.496 ( 0.000 0.000 0.612) 0.612 4.597 ( 0.000 0.000 -5.363) 5.363 4.597 ( 0.000 0.000 5.363) 5.363 4.611 ( 0.000 0.000 -5.556) 5.556 4.611 ( 0.000 0.000 5.556) 5.556 4.957 ( 0.000 0.000 -9.339) 9.339 4.957 ( 0.000 0.000 9.339) 9.339 5.031 ( 0.000 0.000 -7.167) 7.167 5.031 ( 0.000 0.000 7.167) 7.167 5.087 ( 0.000 0.000 -2.603) 2.603 5.087 ( 0.000 0.000 2.603) 2.603 5.290 ( 0.000 0.000 -2.846) 2.846 5.290 ( 0.000 0.000 2.846) 2.846 5.340 ( 0.000 0.000 -2.403) 2.403 5.340 ( 0.000 0.000 2.403) 2.403 5.451 ( 0.000 0.000 -2.869) 2.869 5.451 ( 0.000 0.000 2.869) 2.869 5.778 ( 0.000 0.000 -0.975) 0.975 5.778 ( 0.000 0.000 0.975) 0.975 5.876 ( 0.000 0.000 -0.592) 0.592 5.876 ( 0.000 0.000 0.592) 0.592 6.354 ( 0.000 0.000 -2.279) 2.279 6.354 ( 0.000 0.000 2.279) 2.279 6.837 ( 0.000 0.000 -2.200) 2.200 6.837 ( 0.000 0.000 2.200) 2.200 7.001 ( 0.000 0.000 -0.170) 0.170 7.001 ( 0.000 0.000 0.170) 0.170 7.312 ( 0.000 0.000 -0.529) 0.529 7.312 ( 0.000 0.000 0.529) 0.529 7.650 ( 0.000 0.000 -0.804) 0.804 7.650 ( 0.000 0.000 0.804) 0.804 7.877 ( 0.000 0.000 -0.909) 0.909 7.877 ( 0.000 0.000 0.909) 0.909 9.009 ( 0.000 0.000 -0.324) 0.324 9.009 ( 0.000 0.000 0.324) 0.324 9.160 ( 0.000 0.000 -1.032) 1.032 9.160 ( 0.000 0.000 1.032) 1.032 10.246 ( 0.000 0.000 -3.389) 3.389 10.246 ( 0.000 0.000 3.389) 3.389 10.268 ( 0.000 0.000 -0.322) 0.322 10.268 ( 0.000 0.000 0.322) 0.322 10.648 ( 0.000 0.000 -4.555) 4.555 10.648 ( 0.000 0.000 4.555) 4.555 10.835 ( 0.000 0.000 -0.176) 0.176 10.835 ( 0.000 0.000 0.176) 0.176 11.492 ( 0.000 0.000 -1.137) 1.137 11.492 ( 0.000 0.000 1.137) 1.137 12.078 ( 0.000 0.000 -0.043) 0.043 12.078 ( 0.000 0.000 0.043) 0.043 15.335 ( 0.000 0.000 -0.434) 0.434 15.335 ( 0.000 0.000 0.434) 0.434 16.033 ( 0.000 0.000 -0.346) 0.346 16.033 ( 0.000 0.000 0.346) 0.346 16.301 ( 0.000 0.000 -2.666) 2.666 16.301 ( 0.000 0.000 2.666) 2.666 16.362 ( 0.000 0.000 -7.437) 7.437 16.362 ( 0.000 0.000 7.437) 7.437 18.155 ( 0.000 0.000 -3.734) 3.734 18.155 ( 0.000 0.000 3.734) 3.734 18.395 ( 0.000 0.000 -0.749) 0.749 18.395 ( 0.000 0.000 0.749) 0.749 ======================= Grid point 92 (32/45) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 6.088 0.000 -9.634) 11.397 0.649 ( 6.088 0.000 9.634) 11.397 0.844 ( 16.060 0.000 -9.942) 18.888 0.844 ( 16.060 0.000 9.942) 18.888 1.251 ( 11.612 0.000 -16.913) 20.516 1.251 ( 11.612 0.000 16.913) 20.516 1.686 ( 5.979 0.000 -4.203) 7.309 1.686 ( 5.979 0.000 4.203) 7.309 1.701 ( -7.279 0.000 -5.491) 9.118 1.701 ( -7.279 0.000 5.491) 9.118 1.827 ( -3.219 0.000 -2.453) 4.048 1.827 ( -3.219 0.000 2.453) 4.048 1.912 ( 2.959 0.000 -2.913) 4.152 1.912 ( 2.959 0.000 2.913) 4.152 1.951 ( 1.562 0.000 -1.532) 2.188 1.951 ( 1.562 0.000 1.532) 2.188 2.143 ( -5.428 0.000 -2.425) 5.945 2.143 ( -5.428 0.000 2.425) 5.945 2.245 ( -3.381 0.000 -3.898) 5.160 2.245 ( -3.381 0.000 3.898) 5.160 2.492 ( -4.191 0.000 -6.567) 7.790 2.492 ( -4.191 0.000 6.567) 7.790 2.534 ( -1.477 0.000 -2.742) 3.115 2.534 ( -1.477 0.000 2.742) 3.115 2.663 ( -2.618 0.000 -3.640) 4.483 2.663 ( -2.618 0.000 3.640) 4.483 2.771 ( 1.293 0.000 -2.968) 3.238 2.771 ( 1.293 0.000 2.968) 3.238 2.914 ( -2.607 0.000 -2.598) 3.680 2.914 ( -2.607 0.000 2.598) 3.680 3.060 ( -3.401 0.000 -3.106) 4.606 3.060 ( -3.401 0.000 3.106) 4.606 3.120 ( -0.448 0.000 -2.359) 2.401 3.120 ( -0.448 0.000 2.359) 2.401 3.147 ( -4.550 0.000 -4.251) 6.227 3.147 ( -4.550 0.000 4.251) 6.227 3.255 ( 2.047 0.000 -5.174) 5.564 3.255 ( 2.047 0.000 5.174) 5.564 3.317 ( -0.646 0.000 -2.792) 2.866 3.317 ( -0.646 0.000 2.792) 2.866 3.502 ( 2.829 0.000 -2.402) 3.711 3.502 ( 2.829 0.000 2.402) 3.711 3.565 ( 4.243 0.000 -7.158) 8.321 3.565 ( 4.243 0.000 7.158) 8.321 3.820 ( 2.335 0.000 -2.381) 3.335 3.820 ( 2.335 0.000 2.381) 3.335 3.897 ( 4.969 0.000 -3.738) 6.218 3.897 ( 4.969 0.000 3.738) 6.218 4.044 ( 3.256 0.000 -0.740) 3.339 4.044 ( 3.256 0.000 0.740) 3.339 4.055 ( 2.910 0.000 -1.853) 3.449 4.055 ( 2.910 0.000 1.853) 3.449 4.133 ( -0.050 0.000 -3.230) 3.231 4.133 ( -0.050 0.000 3.230) 3.231 4.342 ( 7.727 0.000 -4.010) 8.706 4.342 ( 7.727 0.000 4.010) 8.706 4.450 ( 1.431 0.000 -4.240) 4.475 4.450 ( 1.431 0.000 4.240) 4.475 4.536 ( 3.978 0.000 -1.775) 4.357 4.536 ( 3.978 0.000 1.775) 4.357 4.557 ( -2.691 0.000 -4.941) 5.627 4.557 ( -2.691 0.000 4.941) 5.627 4.616 ( 2.658 0.000 -3.290) 4.230 4.616 ( 2.658 0.000 3.290) 4.230 4.957 ( -0.200 0.000 -8.424) 8.427 4.957 ( -0.200 0.000 8.424) 8.427 4.961 ( -4.003 0.000 -6.814) 7.903 4.961 ( -4.003 0.000 6.814) 7.903 5.090 ( 0.478 0.000 -3.063) 3.100 5.090 ( 0.478 0.000 3.063) 3.100 5.328 ( -4.999 0.000 -6.442) 8.153 5.328 ( -4.999 0.000 6.442) 8.153 5.329 ( -1.064 0.000 -2.348) 2.578 5.329 ( -1.064 0.000 2.348) 2.578 5.405 ( 2.316 0.000 -2.502) 3.410 5.405 ( 2.316 0.000 2.502) 3.410 5.768 ( -0.189 0.000 -0.879) 0.899 5.768 ( -0.189 0.000 0.879) 0.899 5.943 ( 4.184 0.000 -1.023) 4.307 5.943 ( 4.184 0.000 1.023) 4.307 6.217 ( -10.309 0.000 -2.945) 10.721 6.217 ( -10.309 0.000 2.945) 10.721 6.769 ( -6.058 0.000 -0.596) 6.087 6.769 ( -6.058 0.000 0.596) 6.087 6.999 ( -0.222 0.000 -0.093) 0.241 6.999 ( -0.222 0.000 0.093) 0.241 7.305 ( -0.776 0.000 -0.494) 0.920 7.305 ( -0.776 0.000 0.494) 0.920 7.781 ( 7.707 0.000 -6.457) 10.054 7.781 ( 7.707 0.000 6.457) 10.054 7.897 ( 3.046 0.000 -1.259) 3.296 7.897 ( 3.046 0.000 1.259) 3.296 9.011 ( 0.241 0.000 -0.348) 0.423 9.011 ( 0.241 0.000 0.348) 0.423 9.158 ( -0.260 0.000 -1.038) 1.070 9.158 ( -0.260 0.000 1.038) 1.070 10.248 ( 0.549 0.000 -3.278) 3.324 10.248 ( 0.549 0.000 3.278) 3.324 10.280 ( 1.266 0.000 -0.535) 1.375 10.280 ( 1.266 0.000 0.535) 1.375 10.631 ( -1.805 0.000 -4.336) 4.697 10.631 ( -1.805 0.000 4.336) 4.697 10.719 ( -9.654 0.000 -3.280) 10.196 10.719 ( -9.654 0.000 3.280) 10.196 11.546 ( 5.155 0.000 -0.294) 5.163 11.546 ( 5.155 0.000 0.294) 5.163 12.152 ( 5.539 0.000 -11.400) 12.675 12.152 ( 5.539 0.000 11.400) 12.675 15.342 ( 0.704 0.000 -0.451) 0.836 15.342 ( 0.704 0.000 0.451) 0.836 16.058 ( 2.935 0.000 -0.857) 3.057 16.058 ( 2.935 0.000 0.857) 3.057 16.324 ( -3.829 0.000 -6.705) 7.721 16.324 ( -3.829 0.000 6.705) 7.721 16.414 ( 9.763 0.000 -9.125) 13.363 16.414 ( 9.763 0.000 9.125) 13.363 18.129 ( -2.158 0.000 -2.592) 3.372 18.129 ( -2.158 0.000 2.592) 3.372 18.380 ( -1.473 0.000 -0.565) 1.578 18.380 ( -1.473 0.000 0.565) 1.578 ======================= Grid point 94 (33/45) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 5.325 0.000 -9.249) 10.672 0.767 ( 5.325 0.000 9.249) 10.672 1.068 ( 9.331 0.000 -10.059) 13.721 1.068 ( 9.331 0.000 10.059) 13.721 1.545 ( -7.856 0.000 -4.381) 8.995 1.545 ( -7.856 0.000 4.381) 8.995 1.578 ( 17.123 0.000 -7.138) 18.551 1.578 ( 17.123 0.000 7.138) 18.551 1.732 ( -1.626 0.000 -1.216) 2.030 1.732 ( -1.626 0.000 1.216) 2.030 1.800 ( 0.848 0.000 -3.104) 3.217 1.800 ( 0.848 0.000 3.104) 3.217 1.940 ( -2.790 0.000 -2.704) 3.886 1.940 ( -2.790 0.000 2.704) 3.886 2.023 ( 6.839 0.000 -2.976) 7.459 2.023 ( 6.839 0.000 2.976) 7.459 2.057 ( -0.314 0.000 -3.093) 3.109 2.057 ( -0.314 0.000 3.093) 3.109 2.180 ( -2.430 0.000 -2.808) 3.713 2.180 ( -2.430 0.000 2.808) 3.713 2.366 ( -6.780 0.000 -6.432) 9.345 2.366 ( -6.780 0.000 6.432) 9.345 2.550 ( 0.953 0.000 -3.028) 3.175 2.550 ( 0.953 0.000 3.028) 3.175 2.670 ( 2.714 0.000 -1.190) 2.964 2.670 ( 2.714 0.000 1.190) 2.964 2.779 ( -1.132 0.000 -2.197) 2.472 2.779 ( -1.132 0.000 2.197) 2.472 2.848 ( -4.073 0.000 -1.576) 4.367 2.848 ( -4.073 0.000 1.576) 4.367 2.888 ( -9.490 0.000 -6.393) 11.443 2.888 ( -9.490 0.000 6.393) 11.443 3.115 ( -0.804 0.000 -5.232) 5.294 3.115 ( -0.804 0.000 5.232) 5.294 3.121 ( 1.381 0.000 -3.442) 3.709 3.121 ( 1.381 0.000 3.442) 3.709 3.266 ( -0.899 0.000 -4.779) 4.863 3.266 ( -0.899 0.000 4.779) 4.863 3.298 ( -0.778 0.000 -4.444) 4.512 3.298 ( -0.778 0.000 4.444) 4.512 3.625 ( 7.844 0.000 -0.925) 7.898 3.625 ( 7.844 0.000 0.925) 7.898 3.695 ( 7.998 0.000 -7.790) 11.164 3.695 ( 7.998 0.000 7.790) 11.164 3.833 ( -0.631 0.000 -1.242) 1.393 3.833 ( -0.631 0.000 1.242) 1.393 3.992 ( 4.675 0.000 -3.104) 5.611 3.992 ( 4.675 0.000 3.104) 5.611 4.089 ( -0.927 0.000 -2.992) 3.133 4.089 ( -0.927 0.000 2.992) 3.133 4.126 ( -0.038 0.000 -0.914) 0.915 4.126 ( -0.038 0.000 0.914) 0.915 4.128 ( 4.197 0.000 -3.323) 5.353 4.128 ( 4.197 0.000 3.323) 5.353 4.303 ( -5.844 0.000 -0.596) 5.874 4.303 ( -5.844 0.000 0.596) 5.874 4.454 ( -0.495 0.000 -5.455) 5.477 4.454 ( -0.495 0.000 5.455) 5.477 4.586 ( 2.968 0.000 -2.392) 3.812 4.586 ( 2.968 0.000 2.392) 3.812 4.691 ( 6.880 0.000 -4.238) 8.081 4.691 ( 6.880 0.000 4.238) 8.081 4.697 ( 5.016 0.000 -0.788) 5.077 4.697 ( 5.016 0.000 0.788) 5.077 4.944 ( -1.132 0.000 -5.888) 5.996 4.944 ( -1.132 0.000 5.888) 5.996 4.944 ( 4.063 0.000 -4.746) 6.247 4.944 ( 4.063 0.000 4.746) 6.247 5.112 ( 1.938 0.000 -4.106) 4.540 5.112 ( 1.938 0.000 4.106) 4.540 5.170 ( -7.379 0.000 -2.637) 7.836 5.170 ( -7.379 0.000 2.637) 7.836 5.302 ( -1.823 0.000 -2.218) 2.870 5.302 ( -1.823 0.000 2.218) 2.870 5.489 ( 3.998 0.000 -0.735) 4.065 5.489 ( 3.998 0.000 0.735) 4.065 5.755 ( -2.385 0.000 -0.790) 2.512 5.755 ( -2.385 0.000 0.790) 2.512 5.934 ( -3.166 0.000 -1.644) 3.568 5.934 ( -3.166 0.000 1.644) 3.568 6.145 ( 2.449 0.000 -4.197) 4.859 6.145 ( 2.449 0.000 4.197) 4.859 6.624 ( -9.239 0.000 -0.221) 9.242 6.624 ( -9.239 0.000 0.221) 9.242 6.993 ( -0.352 0.000 -0.048) 0.355 6.993 ( -0.352 0.000 0.048) 0.355 7.286 ( -1.072 0.000 -0.387) 1.139 7.286 ( -1.072 0.000 0.387) 1.139 7.830 ( -0.194 0.000 -3.676) 3.681 7.830 ( -0.194 0.000 3.676) 3.681 7.972 ( 2.069 0.000 -4.534) 4.984 7.972 ( 2.069 0.000 4.534) 4.984 9.021 ( 0.887 0.000 -0.398) 0.972 9.021 ( 0.887 0.000 0.398) 0.972 9.147 ( -0.896 0.000 -0.986) 1.332 9.147 ( -0.896 0.000 0.986) 1.332 10.276 ( 2.424 0.000 -3.234) 4.042 10.276 ( 2.424 0.000 3.234) 4.042 10.315 ( 2.361 0.000 -1.055) 2.585 10.315 ( 2.361 0.000 1.055) 2.585 10.555 ( -6.853 0.000 -2.400) 7.261 10.555 ( -6.853 0.000 2.400) 7.261 10.584 ( -3.035 0.000 -3.773) 4.842 10.584 ( -3.035 0.000 3.773) 4.842 11.657 ( 5.990 0.000 -0.829) 6.047 11.657 ( 5.990 0.000 0.829) 6.047 12.223 ( 1.637 0.000 -10.913) 11.035 12.223 ( 1.637 0.000 10.913) 11.035 15.360 ( 1.155 0.000 -0.437) 1.235 15.360 ( 1.155 0.000 0.437) 1.235 16.141 ( 5.501 0.000 -1.211) 5.633 16.141 ( 5.501 0.000 1.211) 5.633 16.232 ( -5.507 0.000 -4.836) 7.329 16.232 ( -5.507 0.000 4.836) 7.329 16.583 ( 6.833 0.000 -12.105) 13.900 16.583 ( 6.833 0.000 12.105) 13.900 18.103 ( -0.042 0.000 -1.975) 1.976 18.103 ( -0.042 0.000 1.975) 1.976 18.342 ( -2.446 0.000 -0.689) 2.541 18.342 ( -2.446 0.000 0.689) 2.541 ======================= Grid point 96 (34/45) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 0.823 0.000 -7.510) 7.555 0.823 ( 0.823 0.000 7.510) 7.555 1.246 ( 9.751 0.000 -8.252) 12.774 1.246 ( 9.751 0.000 8.252) 12.774 1.457 ( -1.194 0.000 -1.835) 2.189 1.457 ( -1.194 0.000 1.835) 2.189 1.608 ( -7.434 0.000 -2.086) 7.721 1.608 ( -7.434 0.000 2.086) 7.721 1.750 ( 0.866 0.000 -2.298) 2.456 1.750 ( 0.866 0.000 2.298) 2.456 1.825 ( -6.814 0.000 -1.096) 6.901 1.825 ( -6.814 0.000 1.096) 6.901 1.896 ( 5.299 0.000 -5.718) 7.796 1.896 ( 5.299 0.000 5.718) 7.796 2.115 ( 2.407 0.000 -3.163) 3.975 2.115 ( 2.407 0.000 3.163) 3.975 2.121 ( 1.207 0.000 -4.602) 4.758 2.121 ( 1.207 0.000 4.602) 4.758 2.175 ( 3.743 0.000 -4.719) 6.023 2.175 ( 3.743 0.000 4.719) 6.023 2.345 ( 5.173 0.000 -4.727) 7.008 2.345 ( 5.173 0.000 4.727) 7.008 2.489 ( -8.000 0.000 -1.555) 8.150 2.489 ( -8.000 0.000 1.555) 8.150 2.722 ( -1.547 0.000 -2.827) 3.223 2.722 ( -1.547 0.000 2.827) 3.223 2.728 ( 1.719 0.000 -2.539) 3.066 2.728 ( 1.719 0.000 2.539) 3.066 2.810 ( 2.239 0.000 -1.476) 2.682 2.810 ( 2.239 0.000 1.476) 2.682 2.819 ( -0.470 0.000 -5.175) 5.196 2.819 ( -0.470 0.000 5.175) 5.196 3.104 ( -0.311 0.000 -3.403) 3.418 3.104 ( -0.311 0.000 3.403) 3.418 3.164 ( 2.606 0.000 -4.365) 5.083 3.164 ( 2.606 0.000 4.365) 5.083 3.240 ( -1.406 0.000 -2.947) 3.265 3.240 ( -1.406 0.000 2.947) 3.265 3.283 ( -1.114 0.000 -5.026) 5.148 3.283 ( -1.114 0.000 5.026) 5.148 3.726 ( 0.179 0.000 -1.517) 1.528 3.726 ( 0.179 0.000 1.517) 1.528 3.820 ( 2.017 0.000 -2.503) 3.214 3.820 ( 2.017 0.000 2.503) 3.215 3.827 ( 5.532 0.000 -6.176) 8.292 3.827 ( 5.532 0.000 6.176) 8.292 4.025 ( -4.213 0.000 -3.330) 5.370 4.025 ( -4.213 0.000 3.330) 5.370 4.063 ( -5.300 0.000 -0.437) 5.318 4.063 ( -5.300 0.000 0.437) 5.318 4.065 ( 2.908 0.000 -3.622) 4.645 4.065 ( 2.908 0.000 3.622) 4.645 4.180 ( 0.848 0.000 -6.923) 6.975 4.180 ( 0.848 0.000 6.923) 6.975 4.304 ( 3.891 0.000 -1.760) 4.271 4.304 ( 3.891 0.000 1.760) 4.271 4.455 ( 0.715 0.000 -2.447) 2.549 4.455 ( 0.715 0.000 2.447) 2.549 4.569 ( -4.958 0.000 -2.045) 5.364 4.569 ( -4.958 0.000 2.045) 5.364 4.726 ( 0.500 0.000 -1.444) 1.528 4.726 ( 0.500 0.000 1.444) 1.528 4.773 ( 2.711 0.000 -0.725) 2.806 4.773 ( 2.711 0.000 0.725) 2.806 4.925 ( -0.723 0.000 -2.978) 3.064 4.925 ( -0.723 0.000 2.978) 3.064 5.077 ( 1.621 0.000 -1.090) 1.953 5.077 ( 1.621 0.000 1.090) 1.953 5.150 ( 9.697 0.000 -2.581) 10.034 5.150 ( 9.697 0.000 2.581) 10.034 5.157 ( 2.591 0.000 -3.868) 4.655 5.157 ( 2.591 0.000 3.868) 4.655 5.264 ( -2.145 0.000 -2.144) 3.033 5.264 ( -2.145 0.000 2.144) 3.033 5.501 ( -4.415 0.000 -0.446) 4.437 5.501 ( -4.415 0.000 0.446) 4.437 5.717 ( 1.051 0.000 -2.659) 2.860 5.717 ( 1.051 0.000 2.659) 2.860 5.933 ( 2.304 0.000 -2.980) 3.767 5.933 ( 2.304 0.000 2.980) 3.767 6.201 ( 2.705 0.000 -3.540) 4.456 6.201 ( 2.705 0.000 3.540) 4.456 6.433 ( -10.431 0.000 -0.570) 10.446 6.433 ( -10.431 0.000 0.570) 10.446 6.987 ( -0.273 0.000 -0.089) 0.287 6.987 ( -0.273 0.000 0.089) 0.287 7.268 ( -0.740 0.000 -0.214) 0.771 7.268 ( -0.740 0.000 0.214) 0.771 7.820 ( -0.440 0.000 -2.560) 2.597 7.820 ( -0.440 0.000 2.560) 2.597 7.962 ( -2.120 0.000 -2.493) 3.272 7.962 ( -2.120 0.000 2.493) 3.272 9.044 ( 1.478 0.000 -0.444) 1.544 9.044 ( 1.478 0.000 0.444) 1.544 9.124 ( -1.471 0.000 -0.790) 1.670 9.124 ( -1.471 0.000 0.790) 1.670 10.332 ( 3.228 0.000 -3.020) 4.420 10.332 ( 3.228 0.000 3.020) 4.420 10.366 ( 2.942 0.000 -1.558) 3.329 10.366 ( 2.942 0.000 1.558) 3.329 10.460 ( -3.672 0.000 -0.828) 3.765 10.460 ( -3.672 0.000 0.828) 3.765 10.522 ( -3.363 0.000 -2.935) 4.463 10.522 ( -3.363 0.000 2.935) 4.463 11.752 ( 3.767 0.000 -0.880) 3.868 11.752 ( 3.767 0.000 0.880) 3.868 12.226 ( -0.680 0.000 -5.951) 5.990 12.226 ( -0.680 0.000 5.951) 5.990 15.381 ( 0.990 0.000 -0.286) 1.030 15.381 ( 0.990 0.000 0.286) 1.030 16.137 ( -4.023 0.000 -2.466) 4.719 16.137 ( -4.023 0.000 2.466) 4.719 16.245 ( 4.890 0.000 -1.251) 5.048 16.245 ( 4.890 0.000 1.251) 5.048 16.658 ( 1.503 0.000 -7.891) 8.032 16.658 ( 1.503 0.000 7.891) 8.032 18.131 ( 2.606 0.000 -1.997) 3.283 18.131 ( 2.606 0.000 1.997) 3.283 18.289 ( -3.088 0.000 -1.578) 3.468 18.289 ( -3.088 0.000 1.578) 3.468 ======================= Grid point 98 (35/45) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 0.000 0.000 0.000) 0.000 0.826 ( 0.000 0.000 0.000) 0.000 1.412 ( 0.000 0.000 -0.000) 0.000 1.412 ( 0.000 0.000 0.000) 0.000 1.458 ( -0.000 0.000 0.000) 0.000 1.458 ( 0.000 0.000 0.000) 0.000 1.460 ( 0.000 0.000 -0.000) 0.000 1.460 ( 0.000 0.000 0.000) 0.000 1.747 ( 0.000 0.000 -0.000) 0.000 1.747 ( 0.000 0.000 0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 -0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 2.125 ( 0.000 0.000 -0.000) 0.000 2.125 ( 0.000 0.000 0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 2.298 ( -0.000 0.000 0.000) 0.000 2.298 ( 0.000 0.000 0.000) 0.000 2.329 ( -0.000 0.000 -0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 -0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 -0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 -0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 -0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 -0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.871 ( -0.000 0.000 0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 3.962 ( -0.000 0.000 -0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 4.009 ( -0.000 0.000 -0.000) 0.000 4.009 ( -0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 -0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.180 ( 0.000 0.000 -0.000) 0.000 4.180 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.734 ( 0.000 0.000 -0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.193 ( -0.000 0.000 -0.000) 0.000 5.193 ( -0.000 0.000 0.000) 0.000 5.232 ( 0.000 0.000 0.000) 0.000 5.232 ( 0.000 0.000 0.000) 0.000 5.347 ( -0.000 0.000 -0.000) 0.000 5.347 ( 0.000 0.000 -0.000) 0.000 5.361 ( -0.000 0.000 0.000) 0.000 5.361 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 -0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 5.972 ( 0.000 0.000 0.000) 0.000 5.972 ( 0.000 0.000 0.000) 0.000 6.245 ( -0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 0.000) 0.000 6.292 ( 0.000 0.000 0.000) 0.000 6.984 ( 0.000 0.000 0.000) 0.000 6.984 ( 0.000 0.000 0.000) 0.000 7.261 ( 0.000 0.000 0.000) 0.000 7.261 ( 0.000 0.000 0.000) 0.000 7.818 ( 0.000 0.000 0.000) 0.000 7.818 ( 0.000 0.000 0.000) 0.000 7.933 ( 0.000 0.000 0.000) 0.000 7.933 ( 0.000 0.000 0.000) 0.000 9.065 ( 0.000 0.000 0.000) 0.000 9.065 ( 0.000 0.000 0.000) 0.000 9.103 ( 0.000 0.000 -0.000) 0.000 9.103 ( 0.000 0.000 0.000) 0.000 10.380 ( 0.000 0.000 0.000) 0.000 10.380 ( 0.000 0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 10.412 ( -0.000 0.000 -0.000) 0.000 10.412 ( 0.000 0.000 0.000) 0.000 10.478 ( 0.000 0.000 -0.000) 0.000 10.478 ( 0.000 0.000 0.000) 0.000 11.789 ( 0.000 0.000 0.000) 0.000 11.789 ( 0.000 0.000 0.000) 0.000 12.217 ( 0.000 0.000 0.000) 0.000 12.217 ( 0.000 0.000 0.000) 0.000 15.391 ( 0.000 0.000 0.000) 0.000 15.391 ( 0.000 0.000 0.000) 0.000 16.097 ( 0.000 0.000 0.000) 0.000 16.097 ( 0.000 0.000 0.000) 0.000 16.297 ( 0.000 0.000 0.000) 0.000 16.297 ( 0.000 0.000 0.000) 0.000 16.666 ( 0.000 0.000 -0.000) 0.000 16.666 ( 0.000 0.000 0.000) 0.000 18.171 ( 0.000 0.000 0.000) 0.000 18.171 ( 0.000 0.000 0.000) 0.000 18.246 ( 0.000 0.000 0.000) 0.000 18.246 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 108 (36/45) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 0.000 3.720 -10.985) 11.598 0.637 ( 0.000 3.720 10.985) 11.598 0.943 ( 0.000 17.370 -7.862) 19.067 0.943 ( 0.000 17.370 7.862) 19.067 1.152 ( 0.000 3.308 -5.769) 6.650 1.152 ( 0.000 3.308 5.769) 6.650 1.407 ( 0.000 -11.339 -4.818) 12.320 1.407 ( 0.000 -11.339 4.818) 12.320 1.733 ( 0.000 -5.638 -1.132) 5.751 1.733 ( 0.000 -5.638 1.132) 5.751 1.837 ( 0.000 -0.060 -5.083) 5.083 1.837 ( 0.000 -0.060 5.083) 5.083 1.980 ( 0.000 7.251 -1.773) 7.465 1.980 ( 0.000 7.251 1.773) 7.465 2.050 ( 0.000 4.439 -2.027) 4.880 2.050 ( 0.000 4.439 2.027) 4.880 2.212 ( 0.000 1.292 -1.138) 1.721 2.212 ( 0.000 1.292 1.138) 1.721 2.404 ( 0.000 9.169 -7.327) 11.737 2.404 ( 0.000 9.169 7.327) 11.737 2.496 ( 0.000 1.193 -2.314) 2.604 2.496 ( 0.000 1.193 2.314) 2.604 2.652 ( 0.000 -1.706 -0.303) 1.733 2.652 ( 0.000 -1.706 0.303) 1.733 2.714 ( 0.000 0.288 -4.766) 4.775 2.714 ( 0.000 0.288 4.766) 4.775 2.785 ( 0.000 3.539 -1.336) 3.783 2.785 ( 0.000 3.539 1.336) 3.783 2.921 ( 0.000 -2.470 -5.189) 5.747 2.921 ( 0.000 -2.470 5.189) 5.747 2.975 ( 0.000 -2.547 -1.435) 2.924 2.975 ( 0.000 -2.547 1.435) 2.924 3.026 ( 0.000 -6.963 -1.368) 7.096 3.026 ( 0.000 -6.963 1.368) 7.096 3.187 ( 0.000 1.290 -2.859) 3.137 3.187 ( 0.000 1.290 2.859) 3.137 3.274 ( 0.000 1.853 -1.437) 2.345 3.274 ( 0.000 1.853 1.437) 2.345 3.394 ( 0.000 4.061 -0.764) 4.132 3.394 ( 0.000 4.061 0.764) 4.132 3.471 ( 0.000 -3.957 -2.393) 4.624 3.471 ( 0.000 -3.957 2.393) 4.624 3.537 ( 0.000 -0.909 -2.551) 2.708 3.537 ( 0.000 -0.909 2.551) 2.708 3.727 ( 0.000 -1.343 -0.108) 1.348 3.727 ( 0.000 -1.343 0.108) 1.348 3.830 ( 0.000 -2.698 -0.724) 2.793 3.830 ( 0.000 -2.698 0.724) 2.793 3.985 ( 0.000 -0.610 -4.152) 4.197 3.985 ( 0.000 -0.610 4.152) 4.197 4.074 ( 0.000 3.084 -0.983) 3.236 4.074 ( 0.000 3.084 0.983) 3.236 4.127 ( 0.000 -0.040 -2.342) 2.342 4.127 ( 0.000 -0.040 2.342) 2.342 4.218 ( 0.000 -0.683 -1.599) 1.739 4.218 ( 0.000 -0.683 1.599) 1.739 4.330 ( 0.000 -5.324 -2.019) 5.693 4.330 ( 0.000 -5.324 2.019) 5.693 4.454 ( 0.000 -5.186 -6.676) 8.454 4.454 ( 0.000 -5.186 6.676) 8.454 4.540 ( 0.000 1.677 -2.035) 2.638 4.540 ( 0.000 1.677 2.035) 2.638 4.670 ( 0.000 0.237 -2.768) 2.778 4.670 ( 0.000 0.237 2.768) 2.778 4.882 ( 0.000 -6.787 -6.366) 9.305 4.882 ( 0.000 -6.787 6.366) 9.305 5.085 ( 0.000 8.246 -4.752) 9.517 5.085 ( 0.000 8.246 4.752) 9.517 5.200 ( 0.000 5.315 -2.120) 5.723 5.200 ( 0.000 5.315 2.120) 5.723 5.265 ( 0.000 -0.523 -0.385) 0.649 5.265 ( 0.000 -0.523 0.385) 0.649 5.424 ( 0.000 -2.080 -5.582) 5.957 5.424 ( 0.000 -2.080 5.582) 5.957 5.461 ( 0.000 6.936 -0.793) 6.982 5.461 ( 0.000 6.936 0.793) 6.982 5.738 ( 0.000 -3.510 -0.905) 3.625 5.738 ( 0.000 -3.510 0.905) 3.625 5.875 ( 0.000 -0.011 -0.372) 0.372 5.875 ( 0.000 -0.011 0.372) 0.372 6.243 ( 0.000 -7.395 -0.695) 7.427 6.243 ( 0.000 -7.395 0.695) 7.427 6.819 ( 0.000 -0.921 -0.817) 1.232 6.819 ( 0.000 -0.921 0.817) 1.232 7.047 ( 0.000 3.830 -0.243) 3.838 7.047 ( 0.000 3.830 0.243) 3.838 7.267 ( 0.000 -3.987 -0.525) 4.022 7.267 ( 0.000 -3.987 0.525) 4.022 7.663 ( 0.000 1.373 -0.107) 1.378 7.663 ( 0.000 1.373 0.107) 1.378 7.831 ( 0.000 -2.967 -0.926) 3.109 7.831 ( 0.000 -2.967 0.926) 3.109 9.047 ( 0.000 3.453 -0.319) 3.468 9.047 ( 0.000 3.453 0.319) 3.468 9.226 ( 0.000 0.755 -4.394) 4.458 9.226 ( 0.000 0.755 4.394) 4.458 10.236 ( 0.000 4.947 -2.174) 5.404 10.236 ( 0.000 4.947 2.174) 5.404 10.389 ( 0.000 3.597 -1.907) 4.071 10.389 ( 0.000 3.597 1.907) 4.071 10.655 ( 0.000 0.851 -3.712) 3.808 10.655 ( 0.000 0.851 3.712) 3.808 10.882 ( 0.000 3.331 -0.668) 3.398 10.882 ( 0.000 3.331 0.668) 3.398 11.528 ( 0.000 3.689 -0.202) 3.695 11.528 ( 0.000 3.689 0.202) 3.695 11.928 ( 0.000 -11.364 -2.924) 11.734 11.928 ( 0.000 -11.364 2.924) 11.734 15.596 ( 0.000 18.636 -8.960) 20.678 15.596 ( 0.000 18.636 8.960) 20.678 16.055 ( 0.000 1.865 -0.088) 1.867 16.055 ( 0.000 1.865 0.088) 1.867 16.262 ( 0.000 -3.181 -0.814) 3.284 16.262 ( 0.000 -3.181 0.814) 3.284 16.310 ( 0.000 -4.760 -10.135) 11.197 16.310 ( 0.000 -4.760 10.135) 11.197 18.135 ( 0.000 -1.577 -2.493) 2.949 18.135 ( 0.000 -1.577 2.493) 2.949 18.370 ( 0.000 -1.549 -1.200) 1.959 18.370 ( 0.000 -1.549 1.200) 1.959 ======================= Grid point 110 (37/45) ======================= q-point: ( 0.12 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 15.779 4.892 -5.575) 17.435 0.848 ( 15.779 4.892 5.575) 17.435 0.979 ( 3.288 14.645 -7.930) 16.976 0.979 ( 3.288 14.645 7.930) 16.976 1.208 ( 8.472 -0.453 -4.875) 9.785 1.208 ( 8.472 -0.453 4.875) 9.785 1.480 ( 5.408 -8.956 -5.483) 11.812 1.480 ( 5.408 -8.956 5.483) 11.812 1.722 ( -1.336 -4.280 -0.640) 4.529 1.722 ( -1.336 -4.280 0.640) 4.529 1.801 ( -2.885 0.332 -3.288) 4.386 1.801 ( -2.885 0.332 3.288) 4.386 1.978 ( -1.158 4.094 -2.414) 4.892 1.978 ( -1.158 4.094 2.414) 4.892 2.035 ( -0.826 4.009 -0.965) 4.206 2.035 ( -0.826 4.009 0.965) 4.206 2.194 ( -0.958 4.250 -3.106) 5.350 2.194 ( -0.958 4.250 3.106) 5.350 2.366 ( -6.607 7.852 -5.350) 11.572 2.366 ( -6.607 7.852 5.350) 11.572 2.474 ( -2.268 1.056 -3.954) 4.679 2.474 ( -2.268 1.056 3.954) 4.679 2.574 ( -5.137 0.515 -2.068) 5.561 2.574 ( -5.137 0.515 2.068) 5.561 2.648 ( -2.633 -1.104 -2.125) 3.559 2.648 ( -2.633 -1.104 2.125) 3.559 2.748 ( -0.435 -3.168 -1.959) 3.750 2.748 ( -0.435 -3.168 1.959) 3.750 2.918 ( -2.401 -2.701 -3.117) 4.773 2.918 ( -2.401 -2.701 3.117) 4.773 2.986 ( 1.145 -1.042 -2.834) 3.229 2.986 ( 1.145 -1.042 2.834) 3.229 3.116 ( 0.614 -0.238 -1.874) 1.986 3.116 ( 0.614 -0.238 1.874) 1.986 3.192 ( 0.554 2.443 -2.653) 3.649 3.192 ( 0.554 2.443 2.653) 3.649 3.243 ( -1.084 1.683 -2.486) 3.192 3.243 ( -1.084 1.683 2.486) 3.192 3.384 ( -3.464 2.905 -1.117) 4.657 3.384 ( -3.464 2.905 1.117) 4.657 3.461 ( 2.484 -3.514 -2.903) 5.190 3.461 ( 2.484 -3.514 2.903) 5.190 3.541 ( 5.719 -2.361 -3.228) 6.979 3.541 ( 5.719 -2.361 3.228) 6.979 3.782 ( 3.206 -1.070 -2.090) 3.974 3.782 ( 3.206 -1.070 2.090) 3.974 3.878 ( 3.030 -2.391 -1.454) 4.125 3.878 ( 3.030 -2.391 1.454) 4.125 4.004 ( 2.643 -0.563 -2.417) 3.626 4.004 ( 2.643 -0.563 2.417) 3.626 4.119 ( 1.164 0.761 -0.515) 1.483 4.119 ( 1.164 0.761 0.515) 1.483 4.135 ( 1.925 0.233 -1.958) 2.755 4.135 ( 1.925 0.233 1.958) 2.755 4.262 ( 1.960 -3.752 -2.344) 4.839 4.262 ( 1.960 -3.752 2.344) 4.839 4.399 ( 7.821 -3.644 -3.124) 9.176 4.399 ( 7.821 -3.644 3.124) 9.176 4.471 ( 2.247 -1.194 -4.072) 4.802 4.471 ( 2.247 -1.194 4.072) 4.802 4.561 ( 2.154 1.430 -2.337) 3.485 4.561 ( 2.154 1.430 2.337) 3.485 4.689 ( 2.569 -0.707 -2.586) 3.713 4.689 ( 2.569 -0.707 2.586) 3.713 4.876 ( -0.291 -4.205 -4.823) 6.406 4.876 ( -0.291 -4.205 4.823) 6.406 5.023 ( -6.554 5.201 -3.127) 8.932 5.023 ( -6.554 5.201 3.127) 8.932 5.157 ( -0.804 4.427 -1.627) 4.785 5.157 ( -0.804 4.427 1.627) 4.785 5.287 ( 0.134 -0.912 -0.675) 1.143 5.287 ( 0.134 -0.912 0.675) 1.143 5.328 ( -8.128 -2.103 -4.300) 9.433 5.328 ( -8.128 -2.103 4.300) 9.433 5.508 ( 3.523 6.636 -1.072) 7.589 5.508 ( 3.523 6.636 1.072) 7.589 5.744 ( 0.601 -2.143 -0.743) 2.346 5.744 ( 0.601 -2.143 0.743) 2.346 5.939 ( 4.537 -0.102 -0.394) 4.555 5.939 ( 4.537 -0.102 0.394) 4.555 6.144 ( -7.661 -5.140 -2.964) 9.690 6.144 ( -7.661 -5.140 2.964) 9.690 6.759 ( -5.700 -0.611 -0.286) 5.740 6.759 ( -5.700 -0.611 0.286) 5.740 7.045 ( -0.222 3.864 -0.170) 3.874 7.045 ( -0.222 3.864 0.170) 3.874 7.262 ( -0.544 -3.807 -0.543) 3.884 7.262 ( -0.544 -3.807 0.543) 3.884 7.766 ( 6.924 -0.416 -3.956) 7.985 7.766 ( 6.924 -0.416 3.956) 7.985 7.849 ( 2.735 -2.979 -0.249) 4.052 7.849 ( 2.735 -2.979 0.249) 4.052 9.046 ( -0.068 3.140 -0.260) 3.151 9.046 ( -0.068 3.140 0.260) 3.151 9.205 ( -1.977 0.431 -3.491) 4.035 9.205 ( -1.977 0.431 3.491) 4.035 10.247 ( 1.131 4.336 -2.104) 4.951 10.247 ( 1.131 4.336 2.104) 4.951 10.384 ( -0.303 3.317 -1.659) 3.721 10.384 ( -0.303 3.317 1.659) 3.721 10.637 ( -1.912 0.842 -3.432) 4.018 10.637 ( -1.912 0.842 3.432) 4.018 10.751 ( -10.710 2.256 -2.097) 11.144 10.751 ( -10.710 2.256 2.097) 11.144 11.593 ( 5.716 4.605 -0.776) 7.381 11.593 ( 5.716 4.605 0.776) 7.381 12.010 ( 6.589 -11.034 -8.443) 15.376 12.010 ( 6.589 -11.034 8.443) 15.376 15.570 ( -2.044 17.060 -6.224) 18.274 15.570 ( -2.044 17.060 6.224) 18.274 16.066 ( 1.613 0.083 -0.897) 1.848 16.066 ( 1.613 0.083 0.897) 1.848 16.266 ( -2.075 -4.814 -5.832) 7.842 16.266 ( -2.075 -4.814 5.832) 7.842 16.382 ( 8.095 -2.599 -6.843) 10.914 16.382 ( 8.095 -2.599 6.843) 10.914 18.116 ( -1.482 -0.984 -1.826) 2.549 18.116 ( -1.482 -0.984 1.826) 2.549 18.358 ( -1.202 -1.406 -0.748) 1.995 18.358 ( -1.202 -1.406 0.748) 1.995 ======================= Grid point 112 (38/45) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 4.325 14.091 -1.386) 14.805 1.042 ( 4.325 14.091 1.386) 14.805 1.084 ( 8.695 5.941 -6.745) 12.506 1.084 ( 8.695 5.941 6.745) 12.506 1.456 ( 10.463 -5.519 -2.339) 12.059 1.456 ( 10.463 -5.519 2.339) 12.059 1.545 ( 4.181 -3.527 -6.440) 8.449 1.545 ( 4.181 -3.527 6.440) 8.449 1.691 ( -0.669 -2.355 -3.135) 3.978 1.691 ( -0.669 -2.355 3.135) 3.978 1.754 ( -3.011 -1.411 -1.630) 3.703 1.754 ( -3.011 -1.411 1.630) 3.703 1.948 ( -1.200 -0.268 -1.795) 2.176 1.948 ( -1.200 -0.268 1.795) 2.176 2.037 ( 1.513 1.936 -0.719) 2.560 2.037 ( 1.513 1.936 0.719) 2.560 2.161 ( -6.373 2.787 -2.863) 7.522 2.161 ( -6.373 2.787 2.863) 7.522 2.208 ( -4.550 1.940 -1.849) 5.281 2.208 ( -4.550 1.940 1.849) 5.281 2.419 ( -1.353 5.233 -3.051) 6.206 2.419 ( -1.353 5.233 3.051) 6.206 2.554 ( 0.994 -0.193 -0.775) 1.275 2.554 ( 0.994 -0.193 0.775) 1.275 2.633 ( -0.113 -0.784 -1.444) 1.647 2.633 ( -0.113 -0.784 1.444) 1.647 2.748 ( -0.135 -1.307 -2.377) 2.716 2.748 ( -0.135 -1.307 2.377) 2.716 2.831 ( -5.272 -1.339 -0.621) 5.475 2.831 ( -5.272 -1.339 0.621) 5.475 3.005 ( -0.223 5.354 -4.458) 6.971 3.005 ( -0.223 5.354 4.458) 6.971 3.070 ( -0.843 -0.907 -0.814) 1.482 3.070 ( -0.843 -0.907 0.814) 1.482 3.171 ( -0.938 1.326 -1.147) 1.989 3.171 ( -0.938 1.326 1.147) 1.989 3.263 ( 0.669 1.141 -4.623) 4.808 3.263 ( 0.669 1.141 4.623) 4.808 3.323 ( -2.494 1.914 -1.853) 3.649 3.323 ( -2.494 1.914 1.853) 3.649 3.572 ( 7.212 -2.964 -2.096) 8.074 3.572 ( 7.212 -2.964 2.096) 8.074 3.681 ( 7.172 -3.343 -5.687) 9.744 3.681 ( 7.172 -3.343 5.687) 9.744 3.830 ( 2.054 0.207 -0.747) 2.195 3.830 ( 2.054 0.207 0.747) 2.195 3.926 ( 2.386 -4.164 -2.639) 5.477 3.926 ( 2.386 -4.164 2.639) 5.477 4.051 ( 0.459 -1.798 -2.153) 2.843 4.051 ( 0.459 -1.798 2.153) 2.843 4.100 ( -3.385 -1.537 -1.878) 4.165 4.100 ( -3.385 -1.537 1.878) 4.165 4.174 ( 2.464 -0.364 -0.178) 2.497 4.174 ( 2.464 -0.364 0.178) 2.497 4.284 ( 2.441 0.334 -0.473) 2.508 4.284 ( 2.441 0.334 0.473) 2.508 4.455 ( -2.014 1.676 -6.361) 6.880 4.455 ( -2.014 1.676 6.361) 6.880 4.540 ( 3.353 -2.389 -2.727) 4.938 4.540 ( 3.353 -2.389 2.727) 4.938 4.683 ( 6.396 1.533 -3.453) 7.428 4.683 ( 6.396 1.533 3.453) 7.428 4.759 ( 5.176 -2.355 -4.964) 7.549 4.759 ( 5.176 -2.355 4.964) 7.549 4.859 ( -3.615 -1.522 -3.794) 5.458 4.859 ( -3.615 -1.522 3.794) 5.458 4.947 ( 2.909 -0.591 -3.545) 4.624 4.947 ( 2.909 -0.591 3.545) 4.624 5.121 ( -2.960 -0.804 -1.706) 3.510 5.121 ( -2.960 -0.804 1.706) 3.510 5.223 ( -1.310 3.304 -2.151) 4.154 5.223 ( -1.310 3.304 2.151) 4.154 5.281 ( -0.540 -0.118 -0.978) 1.123 5.281 ( -0.540 -0.118 0.978) 1.123 5.565 ( 2.335 5.145 -0.961) 5.731 5.565 ( 2.335 5.145 0.961) 5.731 5.733 ( -2.513 -1.847 -0.711) 3.199 5.733 ( -2.513 -1.847 0.711) 3.199 5.942 ( -2.724 0.890 -1.542) 3.254 5.942 ( -2.724 0.890 1.542) 3.254 6.106 ( 3.423 -3.055 -3.761) 5.932 6.106 ( 3.423 -3.055 3.761) 5.932 6.618 ( -9.115 -0.449 -0.156) 9.127 6.618 ( -9.115 -0.449 0.156) 9.127 7.039 ( -0.346 3.867 -0.049) 3.883 7.039 ( -0.346 3.867 0.049) 3.883 7.247 ( -0.913 -3.497 -0.420) 3.639 7.247 ( -0.913 -3.497 0.420) 3.639 7.818 ( 0.445 -0.655 -2.673) 2.787 7.818 ( 0.445 -0.655 2.673) 2.787 7.932 ( 3.124 -2.530 -2.247) 4.605 7.932 ( 3.124 -2.530 2.247) 4.605 9.047 ( 0.316 2.336 -0.077) 2.359 9.047 ( 0.316 2.336 0.077) 2.359 9.163 ( -2.255 -0.205 -1.880) 2.943 9.163 ( -2.255 -0.205 1.880) 2.943 10.278 ( 2.096 2.756 -1.843) 3.922 10.278 ( 2.096 2.756 1.843) 3.922 10.387 ( 0.763 2.533 -1.043) 2.844 10.387 ( 0.763 2.533 1.043) 2.844 10.558 ( -7.124 0.592 -2.953) 7.735 10.558 ( -7.124 0.592 2.953) 7.735 10.602 ( -3.411 1.124 -2.580) 4.422 10.602 ( -3.411 1.124 2.580) 4.422 11.708 ( 5.910 4.823 -1.405) 7.756 11.708 ( 5.910 4.823 1.405) 7.756 12.110 ( 3.392 -9.100 -8.355) 12.811 12.110 ( 3.392 -9.100 8.355) 12.811 15.539 ( -1.022 14.313 -3.007) 14.661 15.539 ( -1.022 14.313 3.007) 14.661 16.095 ( 0.012 -5.463 -1.159) 5.585 16.095 ( 0.012 -5.463 1.159) 5.585 16.235 ( 0.401 1.198 -3.898) 4.098 16.235 ( 0.401 1.198 3.898) 4.098 16.523 ( 5.672 -4.803 -9.818) 12.315 16.523 ( 5.672 -4.803 9.818) 12.315 18.102 ( 0.376 -0.109 -1.522) 1.571 18.102 ( 0.376 -0.109 1.522) 1.571 18.326 ( -2.229 -1.175 -0.632) 2.598 18.326 ( -2.229 -1.175 0.632) 2.598 ======================= Grid point 114 (39/45) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 0.918 18.275 -4.639) 18.877 1.089 ( 0.918 18.275 4.639) 18.877 1.250 ( 9.121 1.476 -5.390) 10.697 1.250 ( 9.121 1.476 5.390) 10.697 1.490 ( 0.041 2.759 -2.950) 4.039 1.490 ( 0.041 2.759 2.950) 4.039 1.622 ( -4.490 -0.965 -1.848) 4.950 1.622 ( -4.490 -0.965 1.848) 4.950 1.668 ( -0.322 -3.543 -2.183) 4.174 1.668 ( -0.322 -3.543 2.183) 4.174 1.739 ( 1.547 -5.439 -2.352) 6.124 1.739 ( 1.547 -5.439 2.352) 6.124 1.934 ( -1.254 0.032 -3.763) 3.966 1.934 ( -1.254 0.032 3.763) 3.966 2.009 ( -5.592 -5.411 -3.159) 8.398 2.009 ( -5.592 -5.411 3.159) 8.398 2.114 ( 5.919 -1.484 -0.664) 6.139 2.114 ( 5.919 -1.484 0.664) 6.139 2.192 ( 1.620 1.123 -2.930) 3.531 2.192 ( 1.620 1.123 2.930) 3.531 2.429 ( -0.021 4.169 -0.960) 4.278 2.429 ( -0.021 4.169 0.960) 4.278 2.514 ( -4.896 0.521 -1.477) 5.141 2.514 ( -4.896 0.521 1.477) 5.141 2.654 ( 2.099 -2.516 -2.527) 4.138 2.654 ( 2.099 -2.516 2.527) 4.138 2.721 ( -1.518 0.059 -2.974) 3.339 2.721 ( -1.518 0.059 2.974) 3.339 2.806 ( 1.972 4.264 -4.403) 6.439 2.806 ( 1.972 4.264 4.403) 6.439 2.994 ( 0.224 7.116 -4.650) 8.503 2.994 ( 0.224 7.116 4.650) 8.503 3.100 ( 2.377 -1.062 -2.057) 3.318 3.100 ( 2.377 -1.062 2.057) 3.318 3.174 ( 1.224 0.852 -3.038) 3.385 3.174 ( 1.224 0.852 3.038) 3.385 3.253 ( -1.250 1.163 -1.641) 2.368 3.253 ( -1.250 1.163 1.641) 2.368 3.293 ( -1.251 1.102 -3.477) 3.857 3.293 ( -1.251 1.102 3.477) 3.857 3.677 ( 2.761 -1.897 -1.150) 3.542 3.677 ( 2.761 -1.897 1.150) 3.542 3.777 ( 3.623 -3.289 -0.687) 4.941 3.777 ( 3.623 -3.289 0.687) 4.941 3.872 ( 2.301 1.329 -3.517) 4.408 3.872 ( 2.301 1.329 3.517) 4.408 3.959 ( -0.203 -5.234 -2.131) 5.654 3.959 ( -0.203 -5.234 2.131) 5.654 3.990 ( -3.991 -3.132 -2.684) 5.740 3.990 ( -3.991 -3.132 2.684) 5.740 4.047 ( -1.374 -2.581 -0.752) 3.020 4.047 ( -1.374 -2.581 0.752) 3.020 4.230 ( 2.122 2.856 -2.013) 4.088 4.230 ( 2.122 2.856 2.013) 4.088 4.344 ( 3.146 1.320 -1.315) 3.656 4.344 ( 3.146 1.320 1.315) 3.656 4.415 ( -1.282 0.779 -3.910) 4.188 4.415 ( -1.282 0.779 3.910) 4.188 4.564 ( -1.224 -2.207 -3.347) 4.192 4.564 ( -1.224 -2.207 3.347) 4.192 4.647 ( -4.965 -0.991 -0.795) 5.124 4.647 ( -4.965 -0.991 0.795) 5.124 4.785 ( -1.196 -7.779 -3.718) 8.704 4.785 ( -1.196 -7.779 3.718) 8.704 4.899 ( 4.770 4.985 -0.875) 6.954 4.899 ( 4.770 4.985 0.875) 6.954 5.091 ( 7.150 -1.866 -0.318) 7.396 5.091 ( 7.150 -1.866 0.318) 7.396 5.133 ( 5.050 -0.599 -0.335) 5.096 5.133 ( 5.050 -0.599 0.335) 5.096 5.217 ( 0.400 1.771 -0.257) 1.834 5.217 ( 0.400 1.771 0.257) 1.834 5.279 ( 0.674 3.311 -1.193) 3.584 5.279 ( 0.674 3.311 1.193) 3.584 5.538 ( -6.518 2.366 -0.880) 6.989 5.538 ( -6.518 2.366 0.880) 6.989 5.717 ( 2.932 0.451 -1.858) 3.500 5.717 ( 2.932 0.451 1.858) 3.500 5.929 ( 0.689 -0.374 -2.516) 2.636 5.929 ( 0.689 -0.374 2.516) 2.636 6.175 ( 3.457 -1.995 -2.817) 4.886 6.175 ( 3.457 -1.995 2.817) 4.886 6.429 ( -10.387 -0.317 -0.396) 10.399 6.429 ( -10.387 -0.317 0.396) 10.399 7.033 ( -0.261 3.854 -0.012) 3.863 7.033 ( -0.261 3.854 0.012) 3.863 7.232 ( -0.662 -3.280 -0.227) 3.354 7.232 ( -0.662 -3.280 0.227) 3.354 7.822 ( 0.370 0.331 -1.924) 1.987 7.822 ( 0.370 0.331 1.924) 1.987 7.939 ( -1.625 -1.674 -1.730) 2.904 7.939 ( -1.625 -1.674 1.730) 2.904 9.059 ( 0.895 1.360 -0.161) 1.636 9.059 ( 0.895 1.360 0.161) 1.636 9.126 ( -1.699 -0.384 -0.887) 1.955 9.126 ( -1.699 -0.384 0.887) 1.955 10.323 ( 2.680 0.865 -1.275) 3.092 10.323 ( 2.680 0.865 1.275) 3.092 10.409 ( 0.948 0.967 -0.969) 1.665 10.409 ( 0.948 0.967 0.969) 1.665 10.455 ( -3.478 0.772 -1.074) 3.721 10.455 ( -3.478 0.772 1.074) 3.721 10.547 ( -2.571 1.288 -1.724) 3.353 10.547 ( -2.571 1.288 1.724) 3.353 11.800 ( 3.569 4.514 -1.108) 5.860 11.800 ( 3.569 4.514 1.108) 5.860 12.142 ( 0.445 -7.064 -4.722) 8.508 12.142 ( 0.445 -7.064 4.722) 8.508 15.530 ( -0.089 12.293 -1.235) 12.355 15.530 ( -0.089 12.293 1.235) 12.355 16.058 ( -2.605 -6.897 -1.666) 7.559 16.058 ( -2.605 -6.897 1.666) 7.559 16.288 ( 3.776 3.394 -0.980) 5.171 16.288 ( 3.776 3.394 0.980) 5.171 16.584 ( 1.185 -6.013 -6.550) 8.970 16.584 ( 1.185 -6.013 6.550) 8.970 18.133 ( 2.668 0.212 -1.514) 3.075 18.133 ( 2.668 0.212 1.514) 3.075 18.276 ( -2.994 -1.013 -1.224) 3.389 18.276 ( -2.994 -1.013 1.224) 3.389 ======================= Grid point 116 (40/45) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 19.421 0.000) 19.421 1.095 ( 0.000 19.421 0.000) 19.421 1.398 ( 0.000 0.969 -0.000) 0.969 1.398 ( 0.000 0.969 -0.000) 0.969 1.448 ( -0.000 -0.725 0.000) 0.725 1.448 ( -0.000 -0.725 0.000) 0.725 1.552 ( 0.000 5.893 0.000) 5.893 1.552 ( 0.000 5.893 0.000) 5.893 1.662 ( 0.000 -5.136 0.000) 5.136 1.662 ( 0.000 -5.136 0.000) 5.136 1.777 ( 0.000 -2.835 0.000) 2.835 1.777 ( 0.000 -2.835 0.000) 2.835 1.856 ( -0.000 -4.207 -0.000) 4.207 1.856 ( -0.000 -4.207 0.000) 4.207 1.992 ( 0.000 -6.023 0.000) 6.023 1.992 ( 0.000 -6.023 0.000) 6.023 2.184 ( 0.000 0.655 0.000) 0.655 2.184 ( 0.000 0.655 0.000) 0.655 2.251 ( 0.000 -3.208 -0.000) 3.208 2.251 ( 0.000 -3.208 0.000) 3.208 2.372 ( -0.000 4.630 -0.000) 4.630 2.372 ( -0.000 4.630 0.000) 4.630 2.475 ( 0.000 1.349 0.000) 1.349 2.475 ( 0.000 1.349 0.000) 1.349 2.692 ( 0.000 -1.054 -0.000) 1.054 2.692 ( 0.000 -1.054 0.000) 1.054 2.694 ( -0.000 -4.337 -0.000) 4.337 2.694 ( -0.000 -4.337 0.000) 4.337 2.835 ( 0.000 7.216 0.000) 7.216 2.835 ( 0.000 7.216 0.000) 7.216 3.005 ( 0.000 4.497 -0.000) 4.497 3.005 ( 0.000 4.497 0.000) 4.497 3.130 ( 0.000 2.654 -0.000) 2.654 3.130 ( 0.000 2.654 0.000) 2.654 3.193 ( 0.000 0.209 -0.000) 0.209 3.193 ( -0.000 0.209 0.000) 0.209 3.248 ( 0.000 1.348 0.000) 1.348 3.248 ( -0.000 1.348 0.000) 1.348 3.261 ( 0.000 0.108 -0.000) 0.108 3.261 ( 0.000 0.109 0.000) 0.109 3.692 ( 0.000 0.237 0.000) 0.237 3.692 ( 0.000 0.237 0.000) 0.237 3.839 ( 0.000 -3.136 0.000) 3.136 3.839 ( -0.000 -3.136 0.000) 3.136 3.862 ( 0.000 -1.952 -0.000) 1.952 3.862 ( 0.000 -1.952 0.000) 1.952 3.946 ( 0.000 0.355 -0.000) 0.355 3.946 ( 0.000 0.355 0.000) 0.355 3.961 ( -0.000 -4.375 -0.000) 4.375 3.961 ( -0.000 -4.375 0.000) 4.375 4.041 ( 0.000 -3.879 -0.000) 3.879 4.041 ( 0.000 -3.879 -0.000) 3.879 4.245 ( 0.000 3.828 0.000) 3.828 4.245 ( 0.000 3.828 0.000) 3.828 4.381 ( 0.000 -3.289 -0.000) 3.289 4.381 ( 0.000 -3.289 0.000) 3.289 4.408 ( 0.000 4.044 -0.000) 4.044 4.408 ( 0.000 4.044 0.000) 4.044 4.522 ( 0.000 -1.201 0.000) 1.201 4.522 ( 0.000 -1.201 0.000) 1.201 4.608 ( 0.000 -4.019 0.000) 4.019 4.608 ( 0.000 -4.019 0.000) 4.019 4.778 ( 0.000 -7.603 0.000) 7.603 4.778 ( 0.000 -7.603 0.000) 7.603 4.944 ( 0.000 6.346 0.000) 6.346 4.944 ( 0.000 6.346 0.000) 6.346 5.135 ( 0.000 -2.849 0.000) 2.849 5.135 ( -0.000 -2.849 0.000) 2.849 5.201 ( 0.000 3.449 -0.000) 3.449 5.201 ( 0.000 3.449 0.000) 3.449 5.236 ( 0.000 0.539 0.000) 0.539 5.236 ( 0.000 0.539 0.000) 0.539 5.361 ( -0.000 1.270 0.000) 1.270 5.361 ( 0.000 1.270 -0.000) 1.270 5.393 ( -0.000 2.068 0.000) 2.068 5.393 ( 0.000 2.068 0.000) 2.068 5.765 ( 0.000 2.197 -0.000) 2.197 5.765 ( 0.000 2.197 0.000) 2.197 5.941 ( -0.000 -2.837 0.000) 2.837 5.941 ( 0.000 -2.837 0.000) 2.837 6.242 ( -0.000 -0.053 0.000) 0.053 6.242 ( 0.000 -0.053 0.000) 0.053 6.277 ( 0.000 -1.195 -0.000) 1.195 6.277 ( 0.000 -1.195 0.000) 1.195 7.030 ( 0.000 3.848 0.000) 3.848 7.030 ( 0.000 3.848 0.000) 3.848 7.225 ( 0.000 -3.203 0.000) 3.203 7.225 ( 0.000 -3.203 0.000) 3.203 7.830 ( 0.000 1.190 0.000) 1.190 7.830 ( 0.000 1.190 0.000) 1.190 7.913 ( 0.000 -1.717 0.000) 1.717 7.913 ( 0.000 -1.717 0.000) 1.717 9.073 ( 0.000 0.713 0.000) 0.713 9.073 ( 0.000 0.713 0.000) 0.713 9.105 ( 0.000 -0.100 0.000) 0.100 9.105 ( 0.000 -0.100 0.000) 0.100 10.375 ( -0.000 -0.168 0.000) 0.168 10.375 ( 0.000 -0.168 -0.000) 0.168 10.378 ( -0.000 -1.231 0.000) 1.231 10.378 ( 0.000 -1.231 0.000) 1.231 10.444 ( 0.000 2.801 0.000) 2.801 10.444 ( 0.000 2.801 0.000) 2.801 10.517 ( -0.000 1.359 0.000) 1.359 10.517 ( 0.000 1.359 0.000) 1.359 11.835 ( 0.000 4.355 0.000) 4.355 11.835 ( 0.000 4.355 0.000) 4.355 12.143 ( 0.000 -6.287 0.000) 6.287 12.143 ( 0.000 -6.287 0.000) 6.287 15.531 ( 0.000 11.559 0.000) 11.559 15.531 ( 0.000 11.559 0.000) 11.559 16.030 ( 0.000 -6.260 0.000) 6.260 16.030 ( 0.000 -6.260 0.000) 6.260 16.331 ( 0.000 3.146 0.000) 3.146 16.331 ( 0.000 3.146 0.000) 3.146 16.590 ( 0.000 -6.323 -0.000) 6.323 16.590 ( 0.000 -6.323 0.000) 6.323 18.176 ( -0.000 0.557 0.000) 0.557 18.176 ( 0.000 0.557 0.000) 0.557 18.231 ( 0.000 -1.279 0.000) 1.279 18.231 ( 0.000 -1.279 0.000) 1.279 ======================= Grid point 126 (41/45) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 0.000 0.000) 0.000 0.705 ( 0.000 0.000 0.000) 0.000 1.029 ( 0.000 0.000 0.000) 0.000 1.029 ( 0.000 -0.000 0.000) 0.000 1.233 ( 0.000 0.000 0.000) 0.000 1.233 ( 0.000 0.000 0.000) 0.000 1.385 ( 0.000 0.000 0.000) 0.000 1.385 ( 0.000 0.000 0.000) 0.000 1.639 ( 0.000 -0.000 0.000) 0.000 1.639 ( 0.000 0.000 0.000) 0.000 1.841 ( 0.000 -0.000 0.000) 0.000 1.841 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.282 ( 0.000 0.000 0.000) 0.000 2.282 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.565 ( 0.000 -0.000 -0.000) 0.000 2.565 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 2.882 ( 0.000 -0.000 -0.000) 0.000 2.882 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 -0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 -0.000 0.000) 0.000 3.310 ( 0.000 -0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 -0.000 -0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.140 ( 0.000 0.000 0.000) 0.000 4.219 ( 0.000 0.000 -0.000) 0.000 4.219 ( 0.000 0.000 0.000) 0.000 4.255 ( 0.000 0.000 0.000) 0.000 4.255 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.553 ( 0.000 0.000 0.000) 0.000 4.553 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 4.798 ( 0.000 0.000 0.000) 0.000 5.210 ( 0.000 -0.000 0.000) 0.000 5.210 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 -0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 -0.000 -0.000) 0.000 5.346 ( 0.000 -0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 -0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.876 ( 0.000 0.000 0.000) 0.000 5.876 ( 0.000 0.000 0.000) 0.000 6.146 ( 0.000 0.000 0.000) 0.000 6.146 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 7.139 ( 0.000 -0.000 0.000) 0.000 7.139 ( 0.000 0.000 0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 7.691 ( 0.000 0.000 0.000) 0.000 7.691 ( 0.000 0.000 0.000) 0.000 7.787 ( 0.000 0.000 0.000) 0.000 7.787 ( 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 9.156 ( 0.000 0.000 0.000) 0.000 9.156 ( 0.000 0.000 -0.000) 0.000 10.363 ( 0.000 0.000 -0.000) 0.000 10.363 ( 0.000 0.000 0.000) 0.000 10.381 ( 0.000 -0.000 0.000) 0.000 10.381 ( 0.000 0.000 0.000) 0.000 10.674 ( 0.000 0.000 0.000) 0.000 10.674 ( 0.000 0.000 0.000) 0.000 10.928 ( 0.000 0.000 0.000) 0.000 10.928 ( 0.000 0.000 0.000) 0.000 11.649 ( 0.000 0.000 0.000) 0.000 11.649 ( 0.000 0.000 0.000) 0.000 11.704 ( 0.000 -0.000 0.000) 0.000 11.704 ( 0.000 -0.000 0.000) 0.000 15.881 ( 0.000 0.000 0.000) 0.000 15.881 ( 0.000 0.000 0.000) 0.000 16.108 ( 0.000 -0.000 0.000) 0.000 16.108 ( 0.000 0.000 0.000) 0.000 16.160 ( 0.000 -0.000 -0.000) 0.000 16.160 ( 0.000 0.000 -0.000) 0.000 16.236 ( 0.000 0.000 0.000) 0.000 16.236 ( 0.000 0.000 0.000) 0.000 18.112 ( 0.000 0.000 0.000) 0.000 18.112 ( 0.000 0.000 0.000) 0.000 18.351 ( 0.000 0.000 0.000) 0.000 18.351 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 130 (42/45) ======================= q-point: ( 0.12 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 20.019 -0.000 0.000) 20.019 0.936 ( 20.019 0.000 0.000) 20.019 1.021 ( 0.669 -0.000 0.000) 0.669 1.021 ( 0.669 0.000 0.000) 0.669 1.306 ( 6.202 -0.000 0.000) 6.202 1.306 ( 6.202 0.000 0.000) 6.202 1.415 ( 2.953 0.000 0.000) 2.953 1.415 ( 2.953 0.000 0.000) 2.953 1.658 ( 1.383 -0.000 0.000) 1.383 1.658 ( 1.383 0.000 0.000) 1.383 1.799 ( -3.690 -0.000 0.000) 3.690 1.799 ( -3.690 0.000 0.000) 3.690 2.001 ( -3.344 0.000 0.000) 3.344 2.001 ( -3.344 0.000 0.000) 3.344 2.110 ( -1.657 0.000 0.000) 1.657 2.110 ( -1.657 0.000 0.000) 1.657 2.277 ( -1.395 0.000 0.000) 1.395 2.277 ( -1.395 0.000 0.000) 1.395 2.423 ( -9.492 -0.000 0.000) 9.492 2.423 ( -9.492 0.000 0.000) 9.492 2.516 ( -3.151 0.000 0.000) 3.151 2.516 ( -3.151 0.000 0.000) 3.151 2.544 ( 0.551 0.000 0.000) 0.551 2.544 ( 0.551 0.000 0.000) 0.551 2.656 ( -3.421 0.000 0.000) 3.421 2.656 ( -3.421 0.000 0.000) 3.421 2.701 ( -0.283 0.000 0.000) 0.283 2.701 ( -0.283 0.000 0.000) 0.283 2.853 ( -2.688 0.000 0.000) 2.688 2.853 ( -2.688 0.000 0.000) 2.688 2.961 ( 0.266 0.000 0.000) 0.266 2.961 ( 0.266 0.000 0.000) 0.266 3.184 ( 8.354 0.000 -0.000) 8.354 3.184 ( 8.354 0.000 0.000) 8.354 3.195 ( -0.962 -0.000 -0.000) 0.962 3.195 ( -0.962 -0.000 0.000) 0.962 3.313 ( 0.078 0.000 -0.000) 0.078 3.313 ( 0.078 -0.000 0.000) 0.078 3.332 ( -4.456 0.000 -0.000) 4.456 3.332 ( -4.456 0.000 0.000) 4.456 3.472 ( -0.417 -0.000 -0.000) 0.417 3.472 ( -0.417 0.000 -0.000) 0.417 3.473 ( 3.971 -0.000 0.000) 3.971 3.473 ( 3.971 0.000 0.000) 3.971 3.799 ( 4.467 0.000 0.000) 4.467 3.799 ( 4.467 0.000 0.000) 4.467 3.822 ( 3.242 -0.000 -0.000) 3.242 3.822 ( 3.242 0.000 0.000) 3.242 4.024 ( 3.098 -0.000 0.000) 3.098 4.024 ( 3.098 0.000 0.000) 3.098 4.077 ( -0.509 0.000 0.000) 0.509 4.077 ( -0.509 0.000 0.000) 0.509 4.131 ( -0.828 0.000 0.000) 0.828 4.131 ( -0.828 0.000 0.000) 0.828 4.232 ( 1.728 0.000 0.000) 1.728 4.232 ( 1.728 0.000 0.000) 1.728 4.381 ( 11.435 0.000 0.000) 11.435 4.381 ( 11.435 0.000 0.000) 11.435 4.468 ( 4.637 0.000 0.000) 4.637 4.468 ( 4.637 0.000 0.000) 4.637 4.581 ( 2.389 0.000 0.000) 2.389 4.581 ( 2.389 0.000 0.000) 2.389 4.642 ( -1.005 0.000 0.000) 1.005 4.642 ( -1.005 0.000 0.000) 1.005 4.820 ( 2.480 0.000 0.000) 2.480 4.820 ( 2.480 0.000 0.000) 2.480 5.135 ( -10.681 -0.000 0.000) 10.681 5.135 ( -10.681 0.000 0.000) 10.681 5.197 ( -3.994 -0.000 0.000) 3.994 5.197 ( -3.994 0.000 0.000) 3.994 5.277 ( -2.296 -0.000 0.000) 2.296 5.277 ( -2.296 0.000 0.000) 2.296 5.285 ( -1.413 -0.000 -0.000) 1.413 5.285 ( -1.413 -0.000 0.000) 1.413 5.611 ( 1.613 0.000 0.000) 1.613 5.611 ( 1.613 0.000 0.000) 1.613 5.697 ( 2.479 0.000 0.000) 2.479 5.697 ( 2.479 0.000 0.000) 2.479 5.942 ( 5.844 0.000 0.000) 5.844 5.942 ( 5.844 0.000 0.000) 5.844 6.071 ( -6.584 0.000 0.000) 6.584 6.071 ( -6.584 0.000 0.000) 6.584 6.752 ( -5.595 0.000 0.000) 5.595 6.752 ( -5.595 0.000 0.000) 5.595 7.138 ( -0.135 -0.000 0.000) 0.135 7.138 ( -0.135 0.000 0.000) 0.135 7.167 ( -0.406 -0.000 0.000) 0.406 7.167 ( -0.406 0.000 0.000) 0.406 7.780 ( 7.563 -0.000 0.000) 7.563 7.780 ( 7.563 -0.000 0.000) 7.563 7.797 ( 0.919 0.000 0.000) 0.919 7.797 ( 0.919 0.000 0.000) 0.919 9.138 ( -0.921 -0.000 0.000) 0.921 9.138 ( -0.921 0.000 0.000) 0.921 9.141 ( -1.397 -0.000 -0.000) 1.397 9.141 ( -1.397 0.000 -0.000) 1.397 10.366 ( 0.346 0.000 -0.000) 0.346 10.366 ( 0.346 0.000 0.000) 0.346 10.370 ( -0.945 -0.000 0.000) 0.945 10.370 ( -0.945 0.000 0.000) 0.945 10.656 ( -1.774 0.000 0.000) 1.774 10.656 ( -1.774 0.000 0.000) 1.774 10.781 ( -11.961 0.000 0.000) 11.961 10.781 ( -11.961 0.000 0.000) 11.961 11.747 ( 4.102 0.000 -0.000) 4.102 11.747 ( 4.102 0.000 0.000) 4.102 11.771 ( 9.571 -0.000 -0.000) 9.571 11.771 ( 9.571 -0.000 0.000) 9.571 15.868 ( -1.289 0.000 -0.000) 1.289 15.868 ( -1.289 0.000 0.000) 1.289 16.012 ( -6.203 -0.000 0.000) 6.203 16.012 ( -6.203 0.000 0.000) 6.203 16.190 ( 3.041 0.000 0.000) 3.041 16.190 ( 3.041 0.000 0.000) 3.041 16.341 ( 6.955 0.000 -0.000) 6.955 16.341 ( 6.955 0.000 0.000) 6.955 18.102 ( -0.716 0.000 0.000) 0.716 18.102 ( -0.716 0.000 0.000) 0.716 18.340 ( -1.114 0.000 0.000) 1.114 18.340 ( -1.114 0.000 0.000) 1.114 ======================= Grid point 134 (43/45) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 37 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 6.199 0.000 0.000) 6.199 1.086 ( 6.199 0.000 0.000) 6.199 1.300 ( 15.245 -0.000 -0.000) 15.245 1.300 ( 15.245 0.000 0.000) 15.245 1.419 ( 4.986 -0.000 0.000) 4.986 1.419 ( 4.986 0.000 0.000) 4.986 1.486 ( 4.790 0.000 0.000) 4.790 1.486 ( 4.790 0.000 0.000) 4.790 1.670 ( -0.072 -0.000 0.000) 0.072 1.670 ( -0.072 -0.000 0.000) 0.072 1.735 ( -2.605 0.000 0.000) 2.605 1.735 ( -2.605 0.000 0.000) 2.605 1.937 ( -3.387 0.000 0.000) 3.387 1.937 ( -3.387 0.000 0.000) 3.387 2.039 ( -5.898 -0.000 0.000) 5.898 2.039 ( -5.898 0.000 0.000) 5.898 2.198 ( -10.121 0.000 -0.000) 10.121 2.198 ( -10.121 0.000 0.000) 10.121 2.215 ( -3.635 0.000 -0.000) 3.635 2.215 ( -3.635 0.000 0.000) 3.635 2.495 ( -0.746 0.000 0.000) 0.746 2.495 ( -0.746 -0.000 0.000) 0.746 2.555 ( -0.326 0.000 0.000) 0.326 2.555 ( -0.326 0.000 0.000) 0.326 2.641 ( 0.509 -0.000 0.000) 0.509 2.641 ( 0.509 0.000 0.000) 0.509 2.741 ( 1.464 -0.000 0.000) 1.464 2.741 ( 1.464 0.000 0.000) 1.464 2.819 ( 1.157 0.000 -0.000) 1.157 2.819 ( 1.157 0.000 0.000) 1.157 2.977 ( 2.123 -0.000 0.000) 2.123 2.977 ( 2.123 0.000 0.000) 2.123 3.137 ( -4.873 0.000 -0.000) 4.873 3.137 ( -4.873 0.000 0.000) 4.873 3.176 ( -0.418 0.000 0.000) 0.418 3.176 ( -0.418 0.000 0.000) 0.418 3.302 ( -1.191 0.000 -0.000) 1.191 3.302 ( -1.191 0.000 0.000) 1.191 3.350 ( -0.202 0.000 0.000) 0.202 3.350 ( -0.202 0.000 0.000) 0.202 3.555 ( 8.078 -0.000 0.000) 8.078 3.555 ( 8.078 0.000 0.000) 8.078 3.578 ( 6.240 -0.000 -0.000) 6.240 3.578 ( 6.240 0.000 0.000) 6.240 3.854 ( 2.056 -0.000 0.000) 2.056 3.854 ( 2.056 0.000 0.000) 2.056 3.866 ( 1.182 -0.000 -0.000) 1.182 3.866 ( 1.182 0.000 -0.000) 1.182 4.043 ( -2.799 -0.000 0.000) 2.799 4.043 ( -2.799 -0.000 0.000) 2.799 4.048 ( -2.443 0.000 -0.000) 2.443 4.048 ( -2.443 0.000 -0.000) 2.443 4.167 ( 5.484 0.000 0.000) 5.484 4.167 ( 5.484 0.000 0.000) 5.484 4.288 ( 3.669 0.000 0.000) 3.669 4.288 ( 3.669 0.000 0.000) 3.669 4.500 ( -1.690 0.000 0.000) 1.690 4.500 ( -1.690 0.000 0.000) 1.690 4.546 ( 3.021 0.000 0.000) 3.021 4.546 ( 3.021 -0.000 0.000) 3.021 4.643 ( 2.683 0.000 0.000) 2.683 4.643 ( 2.683 0.000 0.000) 2.683 4.728 ( 12.770 0.000 0.000) 12.770 4.728 ( 12.770 0.000 0.000) 12.770 4.828 ( -7.771 0.000 0.000) 7.771 4.828 ( -7.771 0.000 0.000) 7.771 4.975 ( 0.546 0.000 0.000) 0.546 4.975 ( 0.546 0.000 0.000) 0.546 5.095 ( -3.407 0.000 0.000) 3.407 5.095 ( -3.407 0.000 0.000) 3.407 5.254 ( -1.715 0.000 0.000) 1.715 5.254 ( -1.715 0.000 0.000) 1.715 5.296 ( 2.136 0.000 0.000) 2.136 5.296 ( 2.136 0.000 0.000) 2.136 5.649 ( 2.929 0.000 0.000) 2.929 5.649 ( 2.929 0.000 0.000) 2.929 5.691 ( -3.960 0.000 0.000) 3.960 5.691 ( -3.960 0.000 0.000) 3.960 5.965 ( -3.529 0.000 -0.000) 3.529 5.965 ( -3.529 0.000 0.000) 3.529 6.054 ( 5.441 0.000 0.000) 5.441 6.054 ( 5.441 0.000 0.000) 5.441 6.612 ( -9.037 0.000 0.000) 9.037 6.612 ( -9.037 0.000 0.000) 9.037 7.134 ( -0.289 -0.000 0.000) 0.289 7.134 ( -0.289 0.000 0.000) 0.289 7.156 ( -0.752 -0.000 0.000) 0.752 7.156 ( -0.752 0.000 0.000) 0.752 7.813 ( 0.751 0.000 0.000) 0.751 7.813 ( 0.751 0.000 0.000) 0.751 7.898 ( 3.732 0.000 0.000) 3.732 7.898 ( 3.732 0.000 0.000) 3.732 9.113 ( -1.296 -0.000 0.000) 1.296 9.113 ( -1.296 0.000 0.000) 1.296 9.117 ( -1.179 -0.000 -0.000) 1.179 9.117 ( -1.179 0.000 -0.000) 1.179 10.355 ( -0.434 0.000 -0.000) 0.434 10.355 ( -0.434 0.000 0.000) 0.434 10.378 ( 0.972 -0.000 0.000) 0.972 10.378 ( 0.972 0.000 0.000) 0.972 10.579 ( -8.372 0.000 -0.000) 8.372 10.579 ( -8.372 0.000 0.000) 8.372 10.612 ( -2.754 -0.000 0.000) 2.754 10.612 ( -2.754 0.000 0.000) 2.754 11.837 ( 5.008 0.000 0.000) 5.008 11.837 ( 5.008 0.000 0.000) 5.008 11.923 ( 5.786 -0.000 0.000) 5.786 11.923 ( 5.786 0.000 0.000) 5.786 15.840 ( -1.495 0.000 -0.000) 1.495 15.840 ( -1.495 0.000 0.000) 1.495 15.912 ( -4.315 -0.000 -0.000) 4.315 15.912 ( -4.315 -0.000 0.000) 4.315 16.266 ( 4.784 -0.000 0.000) 4.784 16.266 ( 4.784 0.000 0.000) 4.784 16.444 ( 3.582 -0.000 -0.000) 3.582 16.444 ( 3.582 0.000 0.000) 3.582 18.100 ( 0.865 0.000 0.000) 0.865 18.100 ( 0.865 0.000 0.000) 0.865 18.310 ( -2.127 0.000 0.000) 2.127 18.310 ( -2.127 0.000 0.000) 2.127 ======================= Grid point 138 (44/45) ======================= q-point: ( 0.38 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 9.108 0.000 0.000) 9.108 1.236 ( 9.108 0.000 0.000) 9.108 1.453 ( 3.663 -0.000 -0.000) 3.663 1.453 ( 3.663 0.000 0.000) 3.663 1.488 ( 2.788 0.000 0.000) 2.788 1.488 ( 2.788 0.000 0.000) 2.788 1.547 ( -2.322 0.000 -0.000) 2.322 1.547 ( -2.322 0.000 0.000) 2.322 1.664 ( -0.771 -0.000 0.000) 0.771 1.664 ( -0.771 -0.000 0.000) 0.771 1.701 ( -1.248 -0.000 0.000) 1.248 1.701 ( -1.248 0.000 -0.000) 1.248 1.870 ( -3.013 -0.000 0.000) 3.013 1.870 ( -3.013 0.000 0.000) 3.013 1.926 ( -5.292 0.000 -0.000) 5.292 1.926 ( -5.292 0.000 0.000) 5.292 2.114 ( 2.110 -0.000 0.000) 2.110 2.114 ( 2.110 0.000 0.000) 2.110 2.198 ( 1.550 0.000 -0.000) 1.550 2.198 ( 1.550 0.000 0.000) 1.550 2.474 ( -1.451 0.000 0.000) 1.451 2.474 ( -1.451 0.000 0.000) 1.451 2.512 ( -4.010 -0.000 0.000) 4.010 2.512 ( -4.010 0.000 0.000) 4.010 2.638 ( 0.330 0.000 -0.000) 0.330 2.638 ( 0.330 0.000 0.000) 0.330 2.721 ( -2.892 0.000 0.000) 2.892 2.721 ( -2.892 0.000 0.000) 2.892 2.908 ( 5.887 -0.000 -0.000) 5.887 2.908 ( 5.887 0.000 -0.000) 5.887 3.019 ( -0.009 -0.000 0.000) 0.009 3.019 ( -0.009 0.000 0.000) 0.009 3.110 ( 3.194 0.000 -0.000) 3.194 3.110 ( 3.194 0.000 0.000) 3.194 3.188 ( 1.738 0.000 -0.000) 1.738 3.188 ( 1.738 0.000 0.000) 1.738 3.272 ( -1.953 0.000 -0.000) 1.953 3.272 ( -1.953 0.000 0.000) 1.953 3.318 ( -2.607 0.000 0.000) 2.607 3.318 ( -2.607 0.000 0.000) 2.607 3.684 ( 4.600 -0.000 -0.000) 4.600 3.684 ( 4.600 0.000 0.000) 4.600 3.695 ( 5.710 0.000 -0.000) 5.710 3.695 ( 5.710 -0.000 0.000) 5.710 3.870 ( -0.566 0.000 0.000) 0.566 3.870 ( -0.566 0.000 0.000) 0.566 3.885 ( 0.477 -0.000 -0.000) 0.477 3.885 ( 0.477 -0.000 0.000) 0.477 3.974 ( -2.735 -0.000 0.000) 2.735 3.974 ( -2.735 0.000 0.000) 2.735 4.002 ( -1.956 -0.000 -0.000) 1.956 4.002 ( -1.956 0.000 -0.000) 1.956 4.265 ( 3.875 0.000 0.000) 3.875 4.265 ( 3.875 0.000 0.000) 3.875 4.340 ( 1.195 0.000 0.000) 1.195 4.340 ( 1.195 0.000 0.000) 1.195 4.456 ( -1.242 0.000 0.000) 1.242 4.456 ( -1.242 0.000 0.000) 1.242 4.564 ( -3.291 -0.000 -0.000) 3.291 4.564 ( -3.291 0.000 0.000) 3.291 4.647 ( -5.356 -0.000 0.000) 5.356 4.647 ( -5.356 -0.000 0.000) 5.356 4.653 ( -0.886 -0.000 -0.000) 0.886 4.653 ( -0.886 0.000 0.000) 0.886 4.959 ( 8.425 0.000 0.000) 8.425 4.959 ( 8.425 0.000 0.000) 8.425 5.050 ( 3.138 0.000 0.000) 3.138 5.050 ( 3.138 -0.000 0.000) 3.138 5.127 ( 7.182 0.000 0.000) 7.182 5.127 ( 7.182 0.000 0.000) 7.182 5.234 ( 0.080 0.000 0.000) 0.080 5.234 ( 0.080 0.000 0.000) 0.080 5.330 ( 1.432 0.000 -0.000) 1.432 5.330 ( 1.432 0.000 0.000) 1.432 5.564 ( -8.533 0.000 0.000) 8.533 5.564 ( -8.533 0.000 0.000) 8.533 5.733 ( 5.984 -0.000 0.000) 5.984 5.733 ( 5.984 0.000 0.000) 5.984 5.922 ( -2.176 0.000 0.000) 2.176 5.922 ( -2.176 0.000 0.000) 2.176 6.145 ( 4.610 0.000 0.000) 4.610 6.145 ( 4.610 0.000 0.000) 4.610 6.424 ( -10.358 0.000 0.000) 10.358 6.424 ( -10.358 0.000 0.000) 10.358 7.130 ( -0.102 -0.000 0.000) 0.102 7.130 ( -0.102 0.000 0.000) 0.102 7.142 ( -0.706 -0.000 0.000) 0.706 7.142 ( -0.706 0.000 0.000) 0.706 7.831 ( 1.316 0.000 0.000) 1.316 7.831 ( 1.316 0.000 0.000) 1.316 7.914 ( -1.543 0.000 0.000) 1.543 7.914 ( -1.543 0.000 0.000) 1.543 9.096 ( -0.512 -0.000 0.000) 0.512 9.096 ( -0.512 0.000 0.000) 0.512 9.099 ( -0.645 -0.000 -0.000) 0.645 9.099 ( -0.645 0.000 -0.000) 0.645 10.355 ( 0.423 0.000 -0.000) 0.423 10.355 ( 0.423 0.000 0.000) 0.423 10.391 ( -0.281 0.000 0.000) 0.281 10.391 ( -0.281 0.000 0.000) 0.281 10.485 ( -1.368 -0.000 0.000) 1.368 10.485 ( -1.368 0.000 0.000) 1.368 10.558 ( -2.920 -0.000 0.000) 2.920 10.558 ( -2.920 0.000 0.000) 2.920 11.922 ( 3.800 -0.000 0.000) 3.800 11.922 ( 3.800 0.000 0.000) 3.800 11.986 ( 1.100 -0.000 -0.000) 1.100 11.986 ( 1.100 0.000 0.000) 1.100 15.818 ( -0.687 0.000 -0.000) 0.687 15.818 ( -0.687 0.000 0.000) 0.687 15.849 ( -2.490 -0.000 -0.000) 2.490 15.849 ( -2.490 -0.000 0.000) 2.490 16.359 ( 4.822 -0.000 0.000) 4.822 16.359 ( 4.822 0.000 0.000) 4.822 16.473 ( -0.378 -0.000 -0.000) 0.378 16.473 ( -0.378 0.000 0.000) 0.378 18.137 ( 2.847 0.000 0.000) 2.847 18.137 ( 2.847 0.000 0.000) 2.847 18.261 ( -3.025 0.000 0.000) 3.025 18.261 ( -3.025 0.000 0.000) 3.025 ======================= Grid point 142 (45/45) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 23 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -6.082 -3.158 0.000) 6.852 1.408 ( -6.082 -3.158 -0.000) 6.852 1.408 ( 6.082 3.158 -0.000) 6.852 1.408 ( 6.082 3.158 0.000) 6.852 1.515 ( -0.041 -10.137 -0.000) 10.137 1.515 ( -0.041 -10.137 0.000) 10.137 1.515 ( 0.041 10.137 0.000) 10.137 1.515 ( 0.041 10.137 0.000) 10.137 1.664 ( -0.437 -4.229 -0.000) 4.251 1.664 ( -0.437 -4.229 0.000) 4.251 1.664 ( 0.437 4.229 0.000) 4.251 1.664 ( 0.437 4.229 0.000) 4.251 1.855 ( -0.229 -5.637 -0.000) 5.642 1.855 ( -0.229 -5.637 0.000) 5.642 1.855 ( 0.229 5.638 0.000) 5.642 1.855 ( 0.229 5.638 0.000) 5.642 2.200 ( -2.370 -1.160 0.000) 2.639 2.200 ( -2.370 -1.160 0.000) 2.639 2.200 ( 2.370 1.160 0.000) 2.639 2.200 ( 2.370 1.160 0.000) 2.639 2.456 ( -0.069 -2.572 0.000) 2.573 2.456 ( -0.069 -2.572 0.000) 2.573 2.456 ( 0.069 2.572 0.000) 2.573 2.456 ( 0.069 2.572 0.000) 2.573 2.665 ( -1.920 -0.597 0.000) 2.011 2.665 ( -1.920 -0.597 0.000) 2.011 2.665 ( 1.920 0.597 0.000) 2.011 2.665 ( 1.920 0.597 0.000) 2.011 2.988 ( -0.671 -5.060 -0.000) 5.104 2.988 ( -0.671 -5.060 -0.000) 5.104 2.988 ( 0.671 5.060 -0.000) 5.104 2.988 ( 0.671 5.060 0.000) 5.104 3.193 ( -2.802 -0.791 0.000) 2.911 3.193 ( -2.802 -0.791 0.000) 2.911 3.193 ( 2.802 0.791 0.000) 2.911 3.193 ( 2.802 0.791 0.000) 2.911 3.264 ( -2.588 -0.002 -0.000) 2.588 3.264 ( -2.588 -0.002 0.000) 2.588 3.264 ( 2.588 0.002 -0.000) 2.588 3.264 ( 2.588 0.002 -0.000) 2.588 3.742 ( -0.120 -4.336 -0.000) 4.338 3.742 ( -0.120 -4.336 0.000) 4.338 3.742 ( 0.120 4.336 0.000) 4.338 3.742 ( 0.120 4.336 0.000) 4.338 3.863 ( -0.067 -2.741 0.000) 2.741 3.863 ( -0.067 -2.741 0.000) 2.741 3.863 ( 0.067 2.741 -0.000) 2.741 3.863 ( 0.067 2.741 0.000) 2.741 3.975 ( -0.357 -2.030 -0.000) 2.062 3.975 ( -0.357 -2.030 0.000) 2.062 3.975 ( 0.357 2.030 -0.000) 2.062 3.975 ( 0.357 2.030 0.000) 2.062 4.321 ( -1.056 -2.830 0.000) 3.021 4.321 ( -1.056 -2.830 0.000) 3.021 4.321 ( 1.056 2.830 0.000) 3.021 4.321 ( 1.056 2.830 0.000) 3.021 4.471 ( -1.763 -1.631 -0.000) 2.401 4.471 ( -1.763 -1.631 0.000) 2.401 4.471 ( 1.763 1.631 0.000) 2.401 4.471 ( 1.763 1.631 0.000) 2.401 4.635 ( -0.057 -5.357 0.000) 5.357 4.635 ( -0.057 -5.357 0.000) 5.357 4.635 ( 0.057 5.357 0.000) 5.357 4.635 ( 0.057 5.357 0.000) 5.357 5.050 ( -0.754 -3.895 0.000) 3.968 5.050 ( -0.754 -3.895 0.000) 3.968 5.050 ( 0.754 3.895 0.000) 3.968 5.050 ( 0.754 3.895 0.000) 3.968 5.244 ( -1.020 -0.264 -0.000) 1.053 5.244 ( -1.020 -0.264 0.000) 1.053 5.244 ( 1.020 0.264 0.000) 1.053 5.244 ( 1.020 0.264 0.000) 1.053 5.398 ( -7.173 -0.606 0.000) 7.198 5.398 ( -7.173 -0.606 0.000) 7.198 5.398 ( 7.173 0.606 0.000) 7.198 5.398 ( 7.173 0.606 0.000) 7.198 5.852 ( -2.761 -4.235 0.000) 5.055 5.852 ( -2.761 -4.235 0.000) 5.055 5.852 ( 2.761 4.235 0.000) 5.055 5.852 ( 2.761 4.235 0.000) 5.055 6.251 ( -7.139 -0.224 0.000) 7.142 6.251 ( -7.139 -0.224 0.000) 7.142 6.251 ( 7.139 0.224 0.000) 7.142 6.251 ( 7.139 0.224 0.000) 7.142 7.132 ( -0.010 -4.915 0.000) 4.915 7.132 ( -0.010 -4.915 0.000) 4.915 7.132 ( 0.010 4.915 0.000) 4.915 7.132 ( 0.010 4.915 0.000) 4.915 7.868 ( -1.360 -1.810 0.000) 2.264 7.868 ( -1.360 -1.810 0.000) 2.264 7.868 ( 1.360 1.810 0.000) 2.264 7.868 ( 1.360 1.810 0.000) 2.264 9.093 ( -0.003 -0.933 0.000) 0.933 9.093 ( -0.003 -0.933 0.000) 0.933 9.093 ( 0.003 0.933 0.000) 0.933 9.093 ( 0.003 0.933 0.000) 0.933 10.371 ( -1.136 -0.067 -0.000) 1.138 10.371 ( -1.136 -0.067 0.000) 1.138 10.371 ( 1.136 0.067 0.000) 1.138 10.371 ( 1.136 0.067 0.000) 1.138 10.506 ( -1.220 -1.907 0.000) 2.264 10.506 ( -1.220 -1.907 0.000) 2.264 10.506 ( 1.220 1.907 0.000) 2.264 10.506 ( 1.220 1.907 0.000) 2.264 11.976 ( -0.215 -7.913 0.000) 7.916 11.976 ( -0.215 -7.913 0.000) 7.916 11.976 ( 0.215 7.913 0.000) 7.916 11.976 ( 0.215 7.913 0.000) 7.916 15.818 ( -0.025 -12.712 0.000) 12.712 15.818 ( -0.025 -12.712 0.000) 12.712 15.818 ( 0.025 12.712 0.000) 12.712 15.818 ( 0.025 12.712 0.000) 12.712 16.437 ( -0.788 -6.290 0.000) 6.339 16.437 ( -0.788 -6.289 0.000) 6.339 16.437 ( 0.788 6.290 0.000) 6.339 16.437 ( 0.788 6.290 0.000) 6.339 18.198 ( -2.678 -0.932 0.000) 2.836 18.198 ( -2.678 -0.932 0.000) 2.836 18.198 ( 2.678 0.932 0.000) 2.836 18.198 ( 2.678 0.932 0.000) 2.836 =================== 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 3/15360 10.0 136.011 93.807 94.151 0.000 0.000 0.000 3/15360 20.0 38.446 28.277 18.423 0.000 0.000 0.000 3/15360 30.0 17.175 13.077 7.858 0.000 0.000 0.000 3/15360 40.0 10.223 7.905 4.597 0.000 0.000 0.000 3/15360 50.0 7.124 5.547 3.176 0.000 0.000 0.000 3/15360 60.0 5.451 4.255 2.418 0.000 0.000 0.000 3/15360 70.0 4.423 3.453 1.955 0.000 0.000 0.000 3/15360 80.0 3.732 2.912 1.645 0.000 0.000 0.000 3/15360 90.0 3.237 2.523 1.423 0.000 0.000 0.000 3/15360 100.0 2.864 2.231 1.257 0.000 0.000 0.000 3/15360 110.0 2.573 2.004 1.127 0.000 0.000 0.000 3/15360 120.0 2.339 1.822 1.023 0.000 0.000 0.000 3/15360 130.0 2.146 1.674 0.938 0.000 0.000 0.000 3/15360 140.0 1.984 1.550 0.867 0.000 0.000 0.000 3/15360 150.0 1.846 1.445 0.807 0.000 0.000 0.000 3/15360 160.0 1.727 1.354 0.755 0.000 0.000 0.000 3/15360 170.0 1.624 1.276 0.710 0.000 0.000 0.000 3/15360 180.0 1.532 1.207 0.671 0.000 0.000 0.000 3/15360 190.0 1.451 1.145 0.636 0.000 0.000 0.000 3/15360 200.0 1.378 1.090 0.604 0.000 0.000 0.000 3/15360 210.0 1.312 1.041 0.576 0.000 0.000 0.000 3/15360 220.0 1.253 0.996 0.550 0.000 0.000 0.000 3/15360 230.0 1.199 0.955 0.527 0.000 0.000 0.000 3/15360 240.0 1.149 0.917 0.506 0.000 0.000 0.000 3/15360 250.0 1.104 0.882 0.486 0.000 0.000 0.000 3/15360 260.0 1.062 0.850 0.468 0.000 0.000 0.000 3/15360 270.0 1.023 0.820 0.451 0.000 0.000 0.000 3/15360 280.0 0.987 0.793 0.436 0.000 0.000 0.000 3/15360 290.0 0.953 0.767 0.421 0.000 0.000 0.000 3/15360 300.0 0.922 0.743 0.408 0.000 0.000 0.000 3/15360 310.0 0.892 0.720 0.395 0.000 0.000 0.000 3/15360 320.0 0.865 0.699 0.383 0.000 0.000 0.000 3/15360 330.0 0.839 0.679 0.372 0.000 0.000 0.000 3/15360 340.0 0.815 0.660 0.361 0.000 0.000 0.000 3/15360 350.0 0.792 0.642 0.351 0.000 0.000 0.000 3/15360 360.0 0.770 0.625 0.342 0.000 0.000 0.000 3/15360 370.0 0.750 0.609 0.333 0.000 0.000 0.000 3/15360 380.0 0.730 0.593 0.324 0.000 0.000 0.000 3/15360 390.0 0.712 0.579 0.316 0.000 0.000 0.000 3/15360 400.0 0.694 0.565 0.309 0.000 0.000 0.000 3/15360 410.0 0.677 0.552 0.301 0.000 0.000 0.000 3/15360 420.0 0.661 0.539 0.294 0.000 0.000 0.000 3/15360 430.0 0.646 0.527 0.288 0.000 0.000 0.000 3/15360 440.0 0.632 0.515 0.281 0.000 0.000 0.000 3/15360 450.0 0.618 0.504 0.275 0.000 0.000 0.000 3/15360 460.0 0.605 0.494 0.269 0.000 0.000 0.000 3/15360 470.0 0.592 0.484 0.264 0.000 0.000 0.000 3/15360 480.0 0.580 0.474 0.258 0.000 0.000 0.000 3/15360 490.0 0.568 0.465 0.253 0.000 0.000 0.000 3/15360 500.0 0.557 0.456 0.248 0.000 0.000 0.000 3/15360 510.0 0.546 0.447 0.244 0.000 0.000 0.000 3/15360 520.0 0.535 0.439 0.239 0.000 0.000 0.000 3/15360 530.0 0.525 0.431 0.235 0.000 0.000 0.000 3/15360 540.0 0.516 0.423 0.230 0.000 0.000 0.000 3/15360 550.0 0.507 0.415 0.226 0.000 0.000 0.000 3/15360 560.0 0.498 0.408 0.222 0.000 0.000 0.000 3/15360 570.0 0.489 0.401 0.218 0.000 0.000 0.000 3/15360 580.0 0.481 0.394 0.215 0.000 0.000 0.000 3/15360 590.0 0.473 0.388 0.211 0.000 0.000 0.000 3/15360 600.0 0.465 0.382 0.208 0.000 0.000 0.000 3/15360 610.0 0.457 0.375 0.204 0.000 0.000 0.000 3/15360 620.0 0.450 0.370 0.201 0.000 0.000 0.000 3/15360 630.0 0.443 0.364 0.198 0.000 0.000 0.000 3/15360 640.0 0.436 0.358 0.195 0.000 0.000 0.000 3/15360 650.0 0.429 0.353 0.192 0.000 0.000 0.000 3/15360 660.0 0.423 0.348 0.189 0.000 0.000 0.000 3/15360 670.0 0.417 0.343 0.186 0.000 0.000 0.000 3/15360 680.0 0.410 0.338 0.184 0.000 0.000 0.000 3/15360 690.0 0.405 0.333 0.181 0.000 0.000 0.000 3/15360 700.0 0.399 0.328 0.178 0.000 0.000 0.000 3/15360 710.0 0.393 0.324 0.176 0.000 0.000 0.000 3/15360 720.0 0.388 0.319 0.174 0.000 0.000 0.000 3/15360 730.0 0.383 0.315 0.171 0.000 0.000 0.000 3/15360 740.0 0.377 0.311 0.169 0.000 0.000 0.000 3/15360 750.0 0.372 0.307 0.167 0.000 0.000 0.000 3/15360 760.0 0.368 0.303 0.165 0.000 0.000 0.000 3/15360 770.0 0.363 0.299 0.162 0.000 0.000 0.000 3/15360 780.0 0.358 0.295 0.160 0.000 0.000 0.000 3/15360 790.0 0.354 0.291 0.158 0.000 0.000 0.000 3/15360 800.0 0.349 0.288 0.156 0.000 0.000 0.000 3/15360 810.0 0.345 0.284 0.155 0.000 0.000 0.000 3/15360 820.0 0.341 0.281 0.153 0.000 0.000 0.000 3/15360 830.0 0.337 0.278 0.151 0.000 0.000 0.000 3/15360 840.0 0.333 0.274 0.149 0.000 0.000 0.000 3/15360 850.0 0.329 0.271 0.147 0.000 0.000 0.000 3/15360 860.0 0.325 0.268 0.146 0.000 0.000 0.000 3/15360 870.0 0.321 0.265 0.144 0.000 0.000 0.000 3/15360 880.0 0.318 0.262 0.142 0.000 0.000 0.000 3/15360 890.0 0.314 0.259 0.141 0.000 0.000 0.000 3/15360 900.0 0.311 0.256 0.139 0.000 0.000 0.000 3/15360 910.0 0.307 0.253 0.138 0.000 0.000 0.000 3/15360 920.0 0.304 0.251 0.136 0.000 0.000 0.000 3/15360 930.0 0.301 0.248 0.135 0.000 0.000 0.000 3/15360 940.0 0.297 0.245 0.133 0.000 0.000 0.000 3/15360 950.0 0.294 0.243 0.132 0.000 0.000 0.000 3/15360 960.0 0.291 0.240 0.131 0.000 0.000 0.000 3/15360 970.0 0.288 0.238 0.129 0.000 0.000 0.000 3/15360 980.0 0.285 0.236 0.128 0.000 0.000 0.000 3/15360 990.0 0.283 0.233 0.127 0.000 0.000 0.000 3/15360 1000.0 0.280 0.231 0.125 0.000 0.000 0.000 3/15360 Thermal conductivity related properties were written into "kappa-m844.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:32:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|